Model name: model_name=Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_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=4.29054709470667
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: 0.01495082342177518
Energy: 0.0153333235579955
Energy: 0.015241303248636142
Energy: 2.0152823658622308
Energy: 0.015241303147541319
Energy: 0.015332936882251786
Energy: 0.01495082342177518
Energy: 0.015333184339505427
Energy: 0.015241303901852164
Energy: 1.5265203223171033
Energy: 0.6970712077366192
Energy: 0.015714741951838418
Energy: 0.01712859977117219
Energy: 0.692740937938946
Energy: 0.0171285997709366
Energy: 0.01569799246229788
Energy: 0.6970712077368548
Energy: 0.015714255073191782
Energy: 0.0171285997709366
Energy: 0.6927409379387104
Energy: 0.01495082342177518
Energy: 0.015332766132385192
Energy: 0.01524130273632987
Energy: 2.0152823658620216
Energy: 0.015241303442737162
Energy: 0.015332775088805583
Energy: 0.01495082342177518
Energy: 0.015332750873715491
Energy: 0.015241302941006318
Energy: 1.5265203223164228
Energy: 0.6970712077366192
Energy: 0.015705394400595013
Energy: 0.01712859977070101
Energy: 0.692740937938946
Energy: 0.01712859977046542
Energy: 0.015705983973050903
Energy: 0.6970712077368548
Energy: 0.01570542706922287
Energy: 0.01712859977046542
Energy: 0.692740937938946
Energy: 0.01495082342177518
Energy: 0.015333168252156573
Energy: 0.015241303987738266
Energy: 2.0152823658622308
Energy: 0.01524130322007725
Energy: 0.015332754943685308
Energy: 0.01495082342177518
Energy: 0.01533312947399305
Energy: 0.015241303361458177
Energy: 1.5265203223168677
Energy: 0.6970712077366192
Energy: 0.015705907128916216
Energy: 0.01712859977022983
Energy: 0.692740937938946
Energy: 0.01712859977022983
Energy: 0.01570195204104039
Energy: 0.6970712077366192
Energy: 0.01570521860886615
Energy: 0.01712859977046542
Energy: 0.692740937938946
Energy: 0.01495082342177518
Energy: 0.01533274740424161
Energy: 0.015241302741146403
Energy: 1.9340112867921675
Energy: 0.015241302932498856
Energy: 0.015332839443750478
Energy: 0.01495082342177518
Energy: 0.015332762682962743
Energy: 0.015241302614974198
Energy: 1.5265203223166581

minimum gb energy = 0.01495082342177518 eV
minimum distance =  2.33496995199391 Angstroms
sigma value = 3


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

Energy: 1.3729819833029473
Energy: 1.216698578779826
Energy: 1.265321586830086
Energy: 1.3665739233763017
Energy: 1.2653477199917906
Energy: 1.2163123452932274
Energy: 1.3729819833029473
Energy: 1.2166985787792617
Energy: 1.265321586829522
Energy: 1.3466997974311832
Energy: 1.2978311972077157
Energy: 1.2669187559293986
Energy: 1.2918919847537835
Energy: 1.2969869978096487
Energy: 1.2644471325741318
Energy: 1.2553383292937104
Energy: 1.29783119720828
Energy: 1.2669187559299628
Energy: 1.2918919847549122
Energy: 1.2969869978107773
Energy: 1.30025241575413
Energy: 1.2079489065182891
Energy: 1.224022420839693
Energy: 1.2343490342448942
Energy: 1.2355306311074157
Energy: 1.2086715413800733
Energy: 1.30025241575413
Energy: 1.2400262192522868
Energy: 1.224022420839693
Energy: 1.23434903424433
Energy: 1.2407941414085717
Energy: 1.1972909971053454
Energy: 1.1993650534411995
Energy: 1.2401631073188977
Energy: 1.1994301666691678
Energy: 1.2685606997023473
Energy: 1.240794141409136
Energy: 1.1972909971064736
Energy: 1.1993650534417637
Energy: 1.2401631073188977
Energy: 1.2150930950822174
Energy: 1.2298542949153533
Energy: 1.245401149274886
Energy: 1.2168499411563507
Energy: 1.1970141491445518
Energy: 1.2352569918549758
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Energy: 1.2298542949153533
Energy: 1.2454011492737576
Energy: 1.2168499411557865
Energy: 1.2318897181040904
Energy: 1.2260380063342589
Energy: 1.229880758286683
Energy: 1.2379078264648715
Energy: 1.2078099270182796
Energy: 1.2681381652310648
Energy: 1.2318897181052189
Energy: 1.226038006334823
Energy: 1.229880758286683
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Energy: 1.2287963500207701
Energy: 1.1993386523460123
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Energy: 1.2530310653202776
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Energy: 1.2306453205093568
Energy: 1.2287963500207701
Energy: 1.1993386523465766
Energy: 1.2828375053390497
Energy: 1.2530310653197134
Energy: 1.195400871273252
Energy: 1.26585618644931
Energy: 1.2699642417639943
Energy: 1.2258878431478597
Energy: 1.1959559700648494
Energy: 1.3107448767660417
Energy: 1.195400871273252
Energy: 1.26585618644931
Energy: 1.2699642417639943
Energy: 1.2258878431472955
Energy: 1.2699152468357051
Energy: 1.2919138926200937
Energy: 1.2551808208980728
Energy: 1.3170302870842687
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Energy: 1.2699152468357051
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Energy: 1.3170302870842687
Energy: 1.2170745304004489
Energy: 1.2615051691712327
Energy: 1.2352275281117642
Energy: 1.3135791363011393
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Energy: 1.3474694888334
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Energy: 1.2615051691712327
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Energy: 1.3135791363011393
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Energy: 1.2642849809779284
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Energy: 1.2523372762899443
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Energy: 1.1988888344120552
Energy: 1.2091502534031848
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Energy: 1.2170542839852694
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Energy: 1.1988888344120552
Energy: 1.2091502534031848
Energy: 1.2261672349974437
Energy: 1.2079596811667133
Energy: 1.2297806574984849
Energy: 1.2300788572598542
Energy: 1.269463021093934
Energy: 1.2295507087131121
Energy: 1.2261672349968795
Energy: 1.2079596811667133
Energy: 1.2297806574984849
Energy: 1.2300788572598542
Energy: 1.2522428583736664
Energy: 1.2945411427256928
Energy: 1.2642464241439104
Energy: 1.1958808883308172
Energy: 1.2420546144805387
Energy: 1.209225822544271
Energy: 1.2522428583742307
Energy: 1.2945411427256928
Energy: 1.2642464241439104
Energy: 1.1958808883308172
Energy: 1.3133499800982218
Energy: 1.2349377965323776
Energy: 1.2612836502085976
Energy: 1.216615650357407
Energy: 1.3474449186454556
Energy: 1.2275205093789325
Energy: 1.3133499800976578
Energy: 1.2349377962086494
Energy: 1.2612836502080331
Energy: 1.2166156503579717
Energy: 1.317436622326967
Energy: 1.2559015932769384
Energy: 1.2919817475416189
Energy: 1.2696329547376939
Energy: 1.2971169931233366
Energy: 1.2678711316402433
Energy: 1.3174366223264027
Energy: 1.2559015932769384
Energy: 1.2919817475410547
Energy: 1.2696329547371294
Energy: 1.2259662419031865
Energy: 1.2695991068511132
Energy: 1.2658193678228207
Energy: 1.1955717933328822
Energy: 1.3107611869772595
Energy: 1.1957575703704493
Energy: 1.2259662419031865
Energy: 1.2532308716747855
Energy: 1.2658193678222567
Energy: 1.1955717933334464
Energy: 1.2531108623303733
Energy: 1.2828743900081307
Energy: 1.1992855422016941
Energy: 1.2287895119739527
Energy: 1.2304902836868457
Energy: 1.2093579001634651
Energy: 1.2531108623303733
Energy: 1.2828743900081307
Energy: 1.1992855422022581
Energy: 1.2287895119739527
Energy: 1.2378556662001048
Energy: 1.2298933971004786
Energy: 1.2259917887285496
Energy: 1.2544543156960504
Energy: 1.2681574528875852
Energy: 1.2105883983694006
Energy: 1.2378556661995406
Energy: 1.2298933971004786
Energy: 1.2259917887291139
Energy: 1.2544543156966144
Energy: 1.2167802342914098
Energy: 1.2455489686090913
Energy: 1.2300487182678632
Energy: 1.2150497606090986
Energy: 1.2352569918555398
Energy: 1.197196361741324
Energy: 1.2167802342914098
Energy: 1.2455489686090913
Energy: 1.2300487182678632
Energy: 1.2150497606090986
Energy: 1.2404405221318147
Energy: 1.1993173980096627
Energy: 1.1970565672551383
Energy: 1.2408487636619365
Energy: 1.209202761534841
Energy: 1.1993038878350337
Energy: 1.2404405221312507
Energy: 1.1993173980096627
Energy: 1.1970565672551383
Energy: 1.2408487636619365
Energy: 1.2343490342477157
Energy: 1.224038633208583
Energy: 1.2079819399116467
Energy: 1.3002677051977982
Energy: 1.2105042889619089
Energy: 1.2356739626007067
Energy: 1.2343490342477157
Energy: 1.2240386332080189
Energy: 1.207981939912211
Energy: 1.3002677051983624
Energy: 1.2969731975460368
Energy: 1.2915686812199643
Energy: 1.2672218675398808
Energy: 1.297809408295466
Energy: 1.2552837231832532
Energy: 1.2643540074246475
Energy: 1.2969731975460368
Energy: 1.2915686812205287
Energy: 1.2672218675393168
Energy: 1.2978094082960303
Energy: 1.3662950554897106
Energy: 1.2653477199917906
Energy: 1.2163123452937916
Energy: 1.3729819833035117
Energy: 1.2166985787786975
Energy: 1.265321586830086
Energy: 1.3665739233740444
Energy: 1.2653477199917906
Energy: 1.2163123452937916
Energy: 1.3729819833035117
Energy: 1.2969869978102129
Energy: 1.2644471325741318
Energy: 1.2553383292948388
Energy: 1.29783119720828
Energy: 1.2669187559299628
Energy: 1.2918919847543477
Energy: 1.2969869978102129
Energy: 1.264447132574696
Energy: 1.2553383292942746
Energy: 1.29783119720828
Energy: 1.23434903424433
Energy: 1.2355306311079797
Energy: 1.2101502191441722
Energy: 1.30025241575413
Energy: 1.2122260338916584
Energy: 1.224022420839693
Energy: 1.2343490342448942
Energy: 1.2355306311057228
Energy: 1.208671541379509
Energy: 1.30025241575413
Energy: 1.240163107319462
Energy: 1.1994301666686038
Energy: 1.2685606997023473
Energy: 1.2407941414085717
Energy: 1.1972909971059094
Energy: 1.1993650534411995
Energy: 1.240163107319462
Energy: 1.1994301666691678
Energy: 1.2685606997023473
Energy: 1.240794141409136

minimum gb energy = 1.195400871273252 eV
minimum distance =  2.26272350222233 Angstroms
sigma value = 75


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

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Energy: 1.2550005308464915
Energy: 1.311567855362957
Energy: 1.5086231132770493
Energy: 1.2455625460299184
Energy: 1.2979642581754995
Energy: 1.4402592662172689
Energy: 1.2550005308475929
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Energy: 1.218202124602319
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Energy: 1.2965251401706708
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Energy: 1.3194099667998338
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Energy: 1.192121514392562
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Energy: 1.3275904683748514
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Energy: 1.3275643367692516
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Energy: 1.3770043222203736
Energy: 1.199218400575552
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Energy: 1.4041965546534678
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minimum gb energy = 1.184837741931874 eV
minimum distance =  2.21935454911091 Angstroms
sigma value = 105


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

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Energy: 1.4543010234345595
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Energy: 1.2789663754247984
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Energy: 1.2699860346429763
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Energy: 1.2155314984777545
Energy: 1.285783835696457
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Energy: 1.4279494766720944
Energy: 1.2141718365444805
Energy: 1.2675379905559114
Energy: 1.2305909072985715
Energy: 1.2297149675516166
Energy: 1.1783299065338346
Energy: 1.4279494766727157
Energy: 1.2141718365454124
Energy: 1.312624223005368
Energy: 1.204493493913243
Energy: 1.232644053066048
Energy: 1.2424211080020926
Energy: 1.347014249654664
Energy: 1.0797980753197123
Energy: 1.3126242229889338
Energy: 1.204493493898955
Energy: 1.2326440530663587
Energy: 1.2424211080027139
Energy: 1.2505845512904366
Energy: 1.2606739492020678
Energy: 1.4101663012315806
Energy: 1.331343227058117
Energy: 1.240199911930599
Energy: 1.2587236954119563
Energy: 1.2505845512888834
Energy: 1.260673949229712
Energy: 1.4101663012309593
Energy: 1.3313432270578063
Energy: 1.2948973223184002
Energy: 1.0801409778582587
Energy: 1.3476035813953628
Energy: 1.1426130023494325
Energy: 1.308233695562636
Energy: 1.1125359951982252
Energy: 1.2948973223184002
Energy: 1.0801409778588797
Energy: 1.3476035813959841
Energy: 1.1426130023497432
Energy: 1.0655027578924574
Energy: 1.0800164235370642
Energy: 1.16698149946848
Energy: 1.2143482160634755
Energy: 1.4274872708112116
Energy: 1.0936307162674368
Energy: 1.0655027578930787
Energy: 1.080016423537996
Energy: 1.1669814994666161
Energy: 1.2143482160625434
Energy: 1.2301264510900958
Energy: 1.183701934873058
Energy: 1.0932263350971192
Energy: 1.1662926327599341
Energy: 1.229655432670103
Energy: 1.2294832443015915
Energy: 1.2301264510910277
Energy: 1.1837019348733688
Energy: 1.0932263350933917
Energy: 1.1662926327590022
Energy: 1.2413458004349112
Energy: 1.321316618682366
Energy: 1.2881961029736606
Energy: 1.3483922060448206
Energy: 1.199714473365162
Energy: 1.3152369308696028
Energy: 1.2413458004336688
Energy: 1.3213166186848506
Energy: 1.288196102973971
Energy: 1.3483922060469669

minimum gb energy = 1.0655027578924574 eV
minimum distance =  2.2430771719423 Angstroms
sigma value = 165


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

Energy: 1.279872471445852
Energy: 1.35514380648168
Energy: 1.1981709236762619
Energy: 1.2778068169322807
Energy: 1.198042134942595
Energy: 1.3551406274135378
Energy: 1.279872471446918
Energy: 1.35514380648168
Energy: 1.1981709236773284
Energy: 1.27780681691202
Energy: 1.189785905266739
Energy: 1.2180244137180005
Energy: 1.1969744110770073
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Energy: 1.2144401424018858
Energy: 1.3745173900363137
Energy: 1.2794499576564382
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Energy: 1.2133023365579307
Energy: 1.2227792263397197
Energy: 1.1965228508813097
Energy: 1.1893607848448493
Energy: 1.2089276318156894
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Energy: 1.1865232352429746
Energy: 1.2227792263397197
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Energy: 1.2089276318167557
Energy: 1.1881095404511053
Energy: 1.1969395742827147
Energy: 1.255918847468067
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Energy: 1.2155999263466812
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Energy: 1.3741747492671257
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Energy: 1.2095404472802613
Energy: 1.2123544935137545
Energy: 1.215172085952235
Energy: 1.1848456328851955
Energy: 1.2144278252037424
Energy: 1.2144842942636367
Energy: 1.2095404472802613
Energy: 1.2123544935137545
Energy: 1.215172085952235
Energy: 1.223955617048353
Energy: 1.2794499576564382
Energy: 1.3745109957510837
Energy: 1.214449895717341
Energy: 1.2793432796334838
Energy: 1.2163184003461576
Energy: 1.223955617048353
Energy: 1.2794499576564382
Energy: 1.3745109957500175
Energy: 1.214449895717341
Energy: 1.2135630118761087
Energy: 1.1969822404468355
Energy: 1.2180498826094042
Energy: 1.1897477103819578
Energy: 1.2149173137151195
Energy: 1.1848280085575673
Energy: 1.2135630118750427
Energy: 1.1969822404468355
Energy: 1.2180498826094042
Energy: 1.1897477103819578
Energy: 1.25834298890047
Energy: 1.198042134942595
Energy: 1.3551406274135378
Energy: 1.279872471445852
Energy: 1.35514380648168
Energy: 1.1981709236783944
Energy: 1.5986073054651102
Energy: 1.198042134942595
Energy: 1.3551406274135378
Energy: 1.279872471445852

minimum gb energy = 1.1845477316702862 eV
minimum distance =  2.2766247973183 Angstroms
sigma value = 41


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

Energy: 1.2416213082989718
Energy: 1.213410186136713
Energy: 1.1200997618019841
Energy: 1.3499750895364357
Energy: 1.096212060024174
Energy: 1.1366986205583074
Energy: 1.2416213082993854
Energy: 1.213410186138782
Energy: 1.1200997617982607
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Energy: 1.1852596788462681
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Energy: 1.0994478857165424
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Energy: 1.1249795930674515
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Energy: 1.3208018868351037
Energy: 1.1249795930699342
Energy: 1.136410552189912
Energy: 1.1458374900226367
Energy: 1.1462607185749698
Energy: 1.2105011231410416
Energy: 1.14888910930763
Energy: 1.143836028768598
Energy: 1.2323604952920808
Energy: 1.1458374900213957
Energy: 1.146260718576211
Energy: 1.210501123142283
Energy: 1.1488891093063887
Energy: 1.1847047949107468
Energy: 1.1240784755435422
Energy: 1.2105530793815842
Energy: 1.1452352025652408
Energy: 1.1864446782340277
Energy: 1.0960379827569944
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Energy: 1.124078475542301
Energy: 1.2105530793807568
Energy: 1.1452352025652408
Energy: 1.1193632625507048
Energy: 1.1223028524799357
Energy: 1.2142781196371266
Energy: 1.119229690941431
Energy: 1.315353101255478
Energy: 1.093976098595892
Energy: 1.1193632625527736
Energy: 1.1223028524819667
Energy: 1.2142781196362993
Energy: 1.1192296909406034
Energy: 1.1401211812920609
Energy: 1.1231089753373824
Energy: 1.1852522489541861
Energy: 1.1244445980984106
Energy: 1.1348726854168325
Energy: 1.11779065546398
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Energy: 1.1231089753406924
Energy: 1.1852522489546
Energy: 1.1244445980967557
Energy: 1.2166164358038463
Energy: 1.1464189087471246
Energy: 1.146747610942035
Energy: 1.2213113316934296
Energy: 1.1534974226451329
Energy: 1.117910938406244
Energy: 1.2166164358050877
Energy: 1.1464189087475385
Energy: 1.1467476109412076
Energy: 1.2213113316946709
Energy: 1.096461322302216
Energy: 1.1868786522666217
Energy: 1.1232868638863232
Energy: 1.139591003515723
Energy: 1.1540935486001482
Energy: 1.1508922103683152
Energy: 1.096461322305112
Energy: 1.186878652267449
Energy: 1.1232868638875644
Energy: 1.1395910035136545
Energy: 1.1482778732819037
Energy: 1.1209554720059263
Energy: 1.1224931911478324
Energy: 1.1545314781109914
Energy: 1.1203823817123635
Energy: 1.3024110730805498
Energy: 1.1482778732819037
Energy: 1.1209554720042714
Energy: 1.1224931911470049
Energy: 1.1545314781101639
Energy: 1.1466895161158448
Energy: 1.2205761401062079
Energy: 1.123965772727393
Energy: 1.2675334182401934
Energy: 1.151375281961643
Energy: 1.1856665458249747
Energy: 1.1466895161166724
Energy: 1.2205761401053803
Energy: 1.1239657727286343
Energy: 1.2675334182397795
Energy: 1.1519275518136287
Energy: 1.2210918622606244
Energy: 1.146598482012127
Energy: 1.1458665225165963
Energy: 1.2220175963244564
Energy: 1.1158820692097506
Energy: 1.1519275518119738
Energy: 1.2210918622610383
Energy: 1.1465984820129547
Energy: 1.145866522514114
Energy: 1.1547512797528836
Energy: 1.1207014628123484
Energy: 1.1852038028834229
Energy: 1.132063249086894
Energy: 1.1390362852218174
Energy: 1.1886592511351004
Energy: 1.1547512797545385
Energy: 1.1207014628111072
Energy: 1.1852038028809404
Energy: 1.1320632490864802
Energy: 1.3042007649902196
Energy: 1.124397839625724
Energy: 1.1218084151002523
Energy: 1.121502412107558
Energy: 1.1544003059194383
Energy: 1.1502175816308473
Energy: 1.304200764988151
Energy: 1.1243978396286203
Energy: 1.121808415118419
Energy: 1.1215024121059032
Energy: 1.1892713193950006
Energy: 1.1477375268098278
Energy: 1.221913968292622
Energy: 1.1225909713036275
Energy: 1.1463859835922432
Energy: 1.1543029902659778
Energy: 1.1892713193970317
Energy: 1.1477375268102419
Energy: 1.2219139682922087
Energy: 1.1225909713040414

minimum gb energy = 1.093976098595892 eV
minimum distance =  2.31500346296809 Angstroms
sigma value = 185


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

Energy: 1.2012804810106827
Energy: 1.1923745584321084
Energy: 1.36877857286794
Energy: 1.544006539405453
Energy: 1.3690820771805143
Energy: 1.2227182941298735
Energy: 1.2012804810126474
Energy: 1.1923745584286707
Energy: 1.368778572867449
Energy: 1.4384884929137118
Energy: 1.385177808872657
Energy: 1.2725662414203636
Energy: 1.1668110769522824
Energy: 1.1906523873240826
Energy: 1.1870289593887018
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Energy: 1.1668110769532645
Energy: 1.1906523873245738
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Energy: 1.1873333235486938
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Energy: 1.3697125076457806
Energy: 1.1876736537140522
Energy: 1.1883957873754054
Energy: 1.1633027705962438
Energy: 1.1873333235472203
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Energy: 1.3697125076452894
Energy: 1.3786756331745829
Energy: 1.1873213802882052
Energy: 1.1743380090178202
Energy: 1.1788891829964636
Energy: 1.2280370165731618
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Energy: 1.174338009021258
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Energy: 1.1669448412545542
Energy: 1.2207435326403673
Energy: 1.4230142374136376
Energy: 1.4180353915972992
Energy: 1.1227046065986301
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Energy: 1.1669448412555363
Energy: 1.2207435326408584
Energy: 1.4230142374136376
Energy: 1.178391327347903
Energy: 1.3691788536650522
Energy: 1.3448629662985627
Energy: 1.205118054794464
Energy: 1.1649765694904524
Energy: 1.3710373475157671
Energy: 1.188104108364902
Energy: 1.3691788536670164
Energy: 1.3238989301191246
Energy: 1.2051180547959373
Energy: 1.2052629199132388
Energy: 1.3801195146114775
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Energy: 1.2052629199152032
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Energy: 1.2240282204877886
Energy: 1.1667482158570963
Energy: 1.2225615818668492
Energy: 1.1632831477285848
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Energy: 1.1667482158566054
Energy: 1.2225615818668492
Energy: 1.1791206853868679
Energy: 1.2194713705486162
Energy: 1.1872696369471494
Energy: 1.4629930033011056
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Energy: 1.156252093863204
Energy: 1.1791206853868679
Energy: 1.2194713705476337
Energy: 1.1872696369466582
Energy: 1.4629930033030698
Energy: 1.3690401044303746
Energy: 1.401045185899708
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Energy: 1.164966955687898
Energy: 1.1646031500424283
Energy: 1.1872634789760415
Energy: 1.3690401044313567
Energy: 1.4010451859006905
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Energy: 1.1649669556864246
Energy: 1.1905636616821376
Energy: 1.1668893874976403
Energy: 1.3102019530240754
Energy: 1.4187109785398673
Energy: 1.2672383781198204
Energy: 1.188026781192721
Energy: 1.1905636616821376
Energy: 1.1668893874986224
Energy: 1.3102019530255486
Energy: 1.4187109785403582
Energy: 1.4308750127946397
Energy: 1.3688858166104287
Energy: 1.1925345317556784
Energy: 1.383750416841943
Energy: 1.1588201674955734
Energy: 1.3687785728664668
Energy: 1.406948978237925
Energy: 1.3688858166104287
Energy: 1.162252635172723
Energy: 1.383750416842434
Energy: 1.1906523873240826
Energy: 1.1870289593882106
Energy: 1.2672383781198204
Energy: 1.4187295729393605
Energy: 1.2725662414198724
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Energy: 1.1906523873245738
Energy: 1.1870289593882106
Energy: 1.2672383781212937
Energy: 1.418729572940834
Energy: 1.3690215748059138
Energy: 1.187673653713561
Energy: 1.164678897786309
Energy: 1.163302770597717
Energy: 1.1871315754176304
Energy: 1.4010451859016726
Energy: 1.3690215748083694
Energy: 1.1876736537145431
Energy: 1.164678897786309
Energy: 1.1633027705957526
Energy: 1.1791168770531626
Energy: 1.1566775044327575
Energy: 1.2014890604275594
Energy: 1.3843053968962007
Energy: 1.187479721107109
Energy: 1.2190977166426973
Energy: 1.1791168770526714
Energy: 1.1566775044327575
Energy: 1.2014890604280506
Energy: 1.3843053968962007
Energy: 1.4230142374131465
Energy: 1.4174924476152877
Energy: 1.1404553062851126
Energy: 1.1563312721359176
Energy: 1.1669448412545542
Energy: 1.2207435326403673
Energy: 1.4230142374136376
Energy: 1.4174924476152877
Energy: 1.1404553062841305
Energy: 1.1563312721364087
Energy: 1.2051180547949552
Energy: 1.1882500142182895
Energy: 1.3030412847596888
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Energy: 1.3691788536655431
Energy: 1.3347115290546483
Energy: 1.2051180547959373
Energy: 1.1882500142177985
Energy: 1.3030412847611623
Energy: 1.188031589764053
Energy: 1.3069973616626078
Energy: 1.3708888748830947
Energy: 1.1922580414868875
Energy: 1.2051179361281188
Energy: 1.358747639790215
Energy: 1.368914453295662
Energy: 1.2787176130240618
Energy: 1.3708888748830947
Energy: 1.1922580414903254
Energy: 1.2051179361276274
Energy: 1.2957491357959448
Energy: 1.123197933384517
Energy: 1.4183570654245305
Energy: 1.4188125544811672
Energy: 1.1937717290039789
Energy: 1.1670217785461499
Energy: 1.2957491357949626
Energy: 1.1231979333859905
Energy: 1.4183570654255129
Energy: 1.4188125544831316
Energy: 1.456677796373708
Energy: 1.1231239164333209
Energy: 1.1562520938636502
Energy: 1.1791206853868679
Energy: 1.2194713705476337
Energy: 1.1872696369466582
Energy: 1.4566777963722346
Energy: 1.1231239164362674
Energy: 1.156252093863204
Energy: 1.179120685387359
Energy: 1.1900646326169801
Energy: 1.1646031500429197
Energy: 1.187032977225804
Energy: 1.3690401044303746
Energy: 1.396367621886445
Energy: 1.188540850026919
Energy: 1.190064632617471
Energy: 1.1646031500414462
Energy: 1.1870329772267862
Energy: 1.3690401044313567
Energy: 1.3745873700864906
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Energy: 1.1881125565556108
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Energy: 1.1668974472697395
Energy: 1.3411602144922843
Energy: 1.3745873700859996
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Energy: 1.1881125565546287
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Energy: 1.2012804810097006
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Energy: 1.3687785728684312
Energy: 1.43848849281013
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Energy: 1.2227182941288912
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Energy: 1.1923745584306351
Energy: 1.368778572867449
Energy: 1.4384884928591974
Energy: 1.385177808872166
Energy: 1.2725662414198724
Energy: 1.1668110769522824
Energy: 1.1906523873240826
Energy: 1.1870289593887018
Energy: 1.2827484341014732
Energy: 1.3851778088736395
Energy: 1.2725662414198724
Energy: 1.1668110769537559
Energy: 1.1906523873245738
Energy: 1.163302770597717
Energy: 1.187333323549185
Energy: 1.3963676218879182
Energy: 1.3697125076462715
Energy: 1.1876736537140522
Energy: 1.1883957873763875
Energy: 1.1633027705957526
Energy: 1.1873333235472203
Energy: 1.396367621886445
Energy: 1.3697125076457806
Energy: 1.3786756331745829
Energy: 1.1873213802882052
Energy: 1.1743380090178202
Energy: 1.1788891829964636
Energy: 1.228037016573653
Energy: 1.12321962009
Energy: 1.378675633175074
Energy: 1.1873213802882052
Energy: 1.174338009020767
Energy: 1.178889182997937
Energy: 1.1563312721369
Energy: 1.1669448412545542
Energy: 1.2207435326403673
Energy: 1.4230142374131465
Energy: 1.4180353915972992
Energy: 1.1227046065986301
Energy: 1.1563312721359176
Energy: 1.1669448412550454
Energy: 1.2207435326408584
Energy: 1.4230142374136376
Energy: 1.1881041083653932
Energy: 1.3691788536655431
Energy: 1.3587476397887417
Energy: 1.205118054794464
Energy: 1.1649765694909433
Energy: 1.3710373475157671
Energy: 1.188104108364411
Energy: 1.3691788536670164
Energy: 1.3238989301196158
Energy: 1.2051180547959373
Energy: 1.20526291991373
Energy: 1.3429920874816044
Energy: 1.368775211927432
Energy: 1.278717613021606
Energy: 1.3108346628500023
Energy: 1.1922580414878696
Energy: 1.2052629199152032
Energy: 1.4066510777948502
Energy: 1.3687752119284144
Energy: 1.2787176130240618
Energy: 1.4188125544816583
Energy: 1.2240282204882795
Energy: 1.1667482158570963
Energy: 1.2225615818668492
Energy: 1.1632831477290757
Energy: 1.437683544344762
Energy: 1.4188125544821495
Energy: 1.2240282204887707
Energy: 1.1667482158575877
Energy: 1.2225615818668492
Energy: 1.1791206853868679
Energy: 1.2194713705486162
Energy: 1.1872696369471494
Energy: 1.4629930033001233
Energy: 1.191299102603024
Energy: 1.1562520938641414
Energy: 1.179120685387359
Energy: 1.2194713705476337
Energy: 1.1872696369466582
Energy: 1.4629930033020877
Energy: 1.3690401044303746
Energy: 1.4010451859006905
Energy: 1.188540850026919
Energy: 1.1649669556864246
Energy: 1.1646031500424283
Energy: 1.1872634789760415
Energy: 1.3690401044318479
Energy: 1.4010451859006905
Energy: 1.1885408500259367
Energy: 1.164966955687407
Energy: 1.1905636616826287
Energy: 1.166889387497149
Energy: 1.3102019530235842
Energy: 1.4187109785398673
Energy: 1.2672383781208025
Energy: 1.188026781192721
Energy: 1.1905636616821376
Energy: 1.1668893874986224
Energy: 1.3102019530260396
Energy: 1.4187109785408494

minimum gb energy = 1.1227046065986301 eV
minimum distance =  2.22858059248839 Angstroms
sigma value = 33


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

Energy: 1.225243085203169
Energy: 1.2777854038109644
Energy: 1.3006144378321025
Energy: 1.385373881292984
Energy: 1.302538736309495
Energy: 1.288506768012028
Energy: 1.2252430852026297
Energy: 1.2777854038133911
Energy: 1.30061443783399
Energy: 1.3853738812730572
Energy: 1.3036102931204478
Energy: 1.3221723708718292
Energy: 1.1639849048848863
Energy: 1.2174720629526796
Energy: 1.1870331196265835
Energy: 1.2499673280921964
Energy: 1.3036102931204478
Energy: 1.3221723708718292
Energy: 1.163984904885695
Energy: 1.217472062952949
Energy: 1.209921748758691
Energy: 1.1727091729606411
Energy: 1.1643771015171531
Energy: 1.273626959364974
Energy: 1.187491035500438
Energy: 1.204013357745222
Energy: 1.2099217487589606
Energy: 1.1727091729609105
Energy: 1.1643771015176927
Energy: 1.2736269593660525
Energy: 1.1801187828341002
Energy: 1.1788251025004466
Energy: 1.2055886275375889
Energy: 1.1708146284557313
Energy: 1.2812749049903875
Energy: 1.2722934812864377
Energy: 1.1801187828351787
Energy: 1.178825102500986
Energy: 1.2055886275378584
Energy: 1.1708146284549223
Energy: 1.2053358149583546
Energy: 1.1727000053062184
Energy: 1.187512906519892
Energy: 1.3112070594471876
Energy: 1.229451770169128
Energy: 1.1687017802504571
Energy: 1.2053358149559281
Energy: 1.172700005307836
Energy: 1.187512906519892
Energy: 1.3112070594471876
Energy: 1.2746568183809293
Energy: 1.1724382402275786
Energy: 1.2114902068051634
Energy: 1.2035444736651446
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Energy: 1.2739996613040678
Energy: 1.2746568183822773
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Energy: 1.347113991712995
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Energy: 1.2138589580872436
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Energy: 1.3016949320609517
Energy: 1.2680524180091355
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Energy: 1.3227965150213785
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Energy: 1.3227965150211092
Energy: 1.1873388137867653
Energy: 1.2047757245775939
Energy: 1.342148414640282
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Energy: 1.1604676216713878
Energy: 1.2136184013682612
Energy: 1.187338813786226
Energy: 1.2047757245773243
Energy: 1.3421484146410907
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Energy: 1.221872542375708
Energy: 1.2038340113898764
Energy: 1.209685630402398
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Energy: 1.1577883105256062
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Energy: 1.2884247012475507
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Energy: 1.1816430510009002
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Energy: 1.3258120151167407
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Energy: 1.179685799588238
Energy: 1.2295067704401035
Energy: 1.182223399633748
Energy: 1.205945444159074
Energy: 1.1727117402830851
Energy: 1.1826157482697348
Energy: 1.310784202772104
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Energy: 1.172711740282546
Energy: 1.1873996211183548
Energy: 1.1665996967470726
Energy: 1.2746930444079931
Energy: 1.1722816563577227
Energy: 1.2113829901360824
Energy: 1.20321001602011
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Energy: 1.1665996967465333
Energy: 1.2746930444063755
Energy: 1.1722816563579925
Energy: 1.1869625617744342
Energy: 1.2138039817479376
Energy: 1.1610791315725708
Energy: 1.2910930646788104
Energy: 1.3085838820508244
Energy: 1.2340864995081133
Energy: 1.1869625617747037
Energy: 1.2138039817484767
Energy: 1.1610791315709532
Energy: 1.2910930646801582
Energy: 1.3111615430541086
Energy: 1.2129692075991483
Energy: 1.3013402987742893
Energy: 1.2672139612571351
Energy: 1.240756813322281
Energy: 1.3227990742148985
Energy: 1.3111615430546477
Energy: 1.2129692076013052
Energy: 1.301340298776985
Energy: 1.2672139612584832
Energy: 1.1604673806939931
Energy: 1.2160257187676005
Energy: 1.18770571990357
Energy: 1.2047751240945228
Energy: 1.1474734916950042
Energy: 1.3669026100649357
Energy: 1.1604673806956107
Energy: 1.2160257187686785
Energy: 1.1877057199024919
Energy: 1.2047751240945228
Energy: 1.244468700500889
Energy: 1.2719088966061725
Energy: 1.2223999438694677
Energy: 1.1969946546347774
Energy: 1.1794196840540008
Energy: 1.1723609479781631
Energy: 1.2444687004992712
Energy: 1.2719088966061725
Energy: 1.222399943868389
Energy: 1.1969946546339687
Energy: 1.2051537934004308
Energy: 1.1881841950479684
Energy: 1.2886449648449467
Energy: 1.3265401536626624
Energy: 1.294076147531931
Energy: 1.1793573773250996
Energy: 1.2051537934017789
Energy: 1.1881841950479684
Energy: 1.2886449648457556
Energy: 1.3265401536626624
Energy: 1.212970445828423
Energy: 1.305219949344973
Energy: 1.2147823692211108
Energy: 1.1810156191584935
Energy: 1.2562164118299217
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Energy: 1.164214771146085
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Energy: 1.3006670144009902
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Energy: 1.2687562013989684
Energy: 1.3006670144009902
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Energy: 1.184437498643439
Energy: 1.2036707730960001
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Energy: 1.3257961831641314
Energy: 1.1271612299182292
Energy: 1.1978179574340322
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Energy: 1.1716095169976917
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Energy: 1.3257961831646703
Energy: 1.1271612299187685
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Energy: 1.3305826865226196
Energy: 1.2052813386332528
Energy: 1.177067599237949
Energy: 1.2892268872875716
Energy: 1.1772664200647223

minimum gb energy = 1.1271612299182292 eV
minimum distance =  2.26270104256633 Angstroms
sigma value = 219


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

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Energy: 1.1334132137451218
Energy: 1.414072140598731
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Energy: 1.1345859185624207
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Energy: 1.172714369332461
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Energy: 1.1200487785877522
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Energy: 1.1336317547036998
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Energy: 1.1520178096540672
Energy: 1.1336317547036998
Energy: 1.1333315775503954
Energy: 1.133423996757652
Energy: 1.2502580060907647

minimum gb energy = 1.0883743746201118 eV
minimum distance =  2.28464433759833 Angstroms
sigma value = 15


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

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Energy: 1.3777729721108154
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minimum gb energy = 1.2962830873782434 eV
minimum distance =  2.25795240679631 Angstroms
sigma value = 293


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

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Energy: 1.3516551874176264
Energy: 1.3565817127401594
Energy: 1.3886714392695934
Energy: 1.3587736163269581
Energy: 1.4964435687739348
Energy: 1.3587424827759422
Energy: 1.3697081711655061
Energy: 1.3565817127401594
Energy: 1.3886714392695934
Energy: 1.3587736163269581
Energy: 1.496443568788444
Energy: 1.2960786751056246
Energy: 1.534456390380991
Energy: 1.357656744884827
Energy: 1.3516422006549265
Energy: 1.3626805370186268
Energy: 1.4466988371129441
Energy: 1.2960786751060274
Energy: 1.5344563903805881
Energy: 1.35765674488523
Energy: 1.3516422006545235
Energy: 1.4014031222534156
Energy: 1.2955683687555508
Energy: 1.3743240231443767
Energy: 1.3688778578166994
Energy: 1.3781485645209974
Energy: 1.3085211937481414
Energy: 1.4111712371740284
Energy: 1.295568368755148
Energy: 1.3743240231443767
Energy: 1.3688778578175056
Energy: 1.4090892641735147
Energy: 1.2957517973676425
Energy: 1.3358285901312108
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Energy: 1.313779523206424
Energy: 1.396346223260533
Energy: 1.4090892641731116
Energy: 1.2957517973680457
Energy: 1.3358285901308076
Energy: 1.3175491338887182
Energy: 1.329750032952749
Energy: 1.4681957032430097
Energy: 1.3706243226700265
Energy: 1.2985382691366414
Energy: 1.5499284571560392
Energy: 1.3250499965699496
Energy: 1.329750032952346
Energy: 1.4681957032430097
Energy: 1.3706243226696235
Energy: 1.2985382691362386
Energy: 1.3294101167470183
Energy: 1.3305895080471442
Energy: 1.3542231165494092
Energy: 1.46872190149335
Energy: 1.3468236313861064
Energy: 1.3159258670782592
Energy: 1.3294101167470183
Energy: 1.3305895080467411
Energy: 1.3542231165486034
Energy: 1.46872190149335
Energy: 1.367587382814429
Energy: 1.337405842855502
Energy: 1.3086712501855442
Energy: 1.438511549084988
Energy: 1.2968933687303348
Energy: 1.3881252763461214
Energy: 1.367587382814429
Energy: 1.337405842854696
Energy: 1.3086712501847384
Energy: 1.438511549085391
Energy: 1.368417148044937
Energy: 1.383984755375819
Energy: 1.384001866406046
Energy: 1.3687236105532363
Energy: 1.314615391385327
Energy: 1.3148281405124698
Energy: 1.368417148044937
Energy: 1.383984755375416
Energy: 1.384001866406046
Energy: 1.3687236105532363
Energy: 1.4386199016849313
Energy: 1.3088208089890392
Energy: 1.3373923804949333
Energy: 1.367595447014496
Energy: 1.3880047544084206
Energy: 1.2969682626103598
Energy: 1.4386199016849313
Energy: 1.3088208089894424
Energy: 1.3373923804949333
Energy: 1.367595447014496
Energy: 1.468361983036904
Energy: 1.354246073457757
Energy: 1.3306791649713645
Energy: 1.329400109706241
Energy: 1.3161694302510654
Energy: 1.3468936152900355
Energy: 1.468361983036098
Energy: 1.354246073457757
Energy: 1.3306791649709617
Energy: 1.329400109706241
Energy: 1.2985532110623055
Energy: 1.3707244738481799
Energy: 1.4681957032430097
Energy: 1.3297594492683045
Energy: 1.3249585577459453
Energy: 1.5499284571564425
Energy: 1.2985532110623055
Energy: 1.3707244738477766
Energy: 1.4681957032430097
Energy: 1.3297594492683045
Energy: 1.3175815435448426
Energy: 1.336105538238073
Energy: 1.2956281488397803
Energy: 1.4090791117192858
Energy: 1.3963256575691538
Energy: 1.314341764845451
Energy: 1.3175815435444396
Energy: 1.33610553823767
Energy: 1.2956281488397803
Energy: 1.4090791117204582

minimum gb energy = 1.2955641660286328 eV
minimum distance =  2.22464404615766 Angstroms
sigma value = 293


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

Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.1688196140608211
Energy: 1.5746858838226414
Energy: 1.1688169320499084
Energy: 1.1947152727040953
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.1688196140608211
Energy: 1.51620395689048
Energy: 1.1689332733339304
Energy: 1.8037544195248305
Energy: 1.168839147057046
Energy: 1.2403856149308736
Energy: 1.6825083571705548
Energy: 1.1699581643502661
Energy: 1.1689332733339304
Energy: 1.838076946653804
Energy: 1.1688391470563175
Energy: 1.1939387980353158
Energy: 1.194198561623359
Energy: 1.1164698061121292
Energy: 1.6290513554748085
Energy: 1.1162650399508967
Energy: 1.2006011647240058
Energy: 1.1693114326983345
Energy: 1.194198561623359
Energy: 1.1164698061121292
Energy: 1.6290513554748085
Energy: 1.1162650399508967
Energy: 1.6290894256473347
Energy: 1.1164251879472151
Energy: 1.194209755684336
Energy: 1.169314443529439
Energy: 1.2006654500022624
Energy: 1.1162641988752262
Energy: 1.6290894256473347
Energy: 1.1164251879472151
Energy: 1.1942097556836078
Energy: 1.169314443529439
Energy: 1.1688399244712147
Energy: 1.742888422319099
Energy: 1.1689468127692024
Energy: 1.1699754599845384
Energy: 1.682523557703427
Energy: 1.5133829514773331
Energy: 1.1688399244712147
Energy: 1.5173570535797647
Energy: 1.168946812769931
Energy: 1.1699754599852668
Energy: 1.1688169320499084
Energy: 1.2721731467210105
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.1688196140608211
Energy: 1.5162039568897516
Energy: 1.1688169320499084
Energy: 1.1947152727040953
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.6825083571705548
Energy: 1.1699581643502661
Energy: 1.1689332733339304
Energy: 1.838076946653804
Energy: 1.168839147057046
Energy: 1.1939387980360443
Energy: 1.6825083571698263
Energy: 1.1699581643502661
Energy: 1.1689332733339304
Energy: 1.838076946653804
Energy: 1.2006011647240058
Energy: 1.1693114326983345
Energy: 1.194198561623359
Energy: 1.1164698061121292
Energy: 1.6290513554748085
Energy: 1.1162650399508967
Energy: 1.2006011647240058
Energy: 1.1693114326983345
Energy: 1.194198561623359
Energy: 1.1164698061121292
Energy: 1.2006654500022624
Energy: 1.1162641988759545
Energy: 1.6290894256473347
Energy: 1.1164251879472151
Energy: 1.194209755684336
Energy: 1.169314443529439
Energy: 1.2006654500022624
Energy: 1.1162641988752262
Energy: 1.6290894256473347
Energy: 1.1164251879472151
Energy: 1.682523557703427
Energy: 1.5725871848667219
Energy: 1.1688399244712147
Energy: 1.6068007153803832
Energy: 1.1689468127692024
Energy: 1.1699754599845384
Energy: 1.682523557703427
Energy: 1.513382951476605
Energy: 1.1688399244712147
Energy: 1.5173570535797647
Energy: 1.1688196140608211
Energy: 1.4694802018485618
Energy: 1.1688169320499084
Energy: 1.1947152727040953
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.1688196140608211
Energy: 1.51620395689048
Energy: 1.1688169320499084
Energy: 1.1947152727040953
Energy: 1.1688391470563175
Energy: 1.230128675579806
Energy: 1.6825083571705548
Energy: 1.1699581643502661
Energy: 1.1689332733339304
Energy: 1.838076946653804
Energy: 1.1688391470563175
Energy: 1.1939387980360443
Energy: 1.6825083571698263
Energy: 1.1699581643502661
Energy: 1.6290513554748085
Energy: 1.1162650399508967
Energy: 1.2006011647240058
Energy: 1.1693114326983345
Energy: 1.194198561623359
Energy: 1.1164698061121292
Energy: 1.6290513554748085
Energy: 1.1162650399508967
Energy: 1.2006011647232773
Energy: 1.1693114326983345
Energy: 1.1942097556836078
Energy: 1.169314443529439
Energy: 1.2006654500022624
Energy: 1.1162641988759545
Energy: 1.6290894256473347
Energy: 1.1164251879472151
Energy: 1.194209755684336
Energy: 1.169314443529439
Energy: 1.2006654500022624
Energy: 1.1162641988752262
Energy: 1.1689468127692024
Energy: 1.1699754599852668
Energy: 1.682523557703427
Energy: 1.5133829514773331
Energy: 1.1688399244719432
Energy: 1.6068007153803832
Energy: 1.168946812769931
Energy: 1.1699754599845384
Energy: 1.682523557703427
Energy: 1.513382951476605
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.1688196140608211
Energy: 1.5031204286754793
Energy: 1.1688169320499084
Energy: 1.1947152727040953
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.1688196140608211
Energy: 1.51620395689048
Energy: 1.1689332733339304
Energy: 1.6300887531893447
Energy: 1.1688391470563175
Energy: 1.1939387980360443
Energy: 1.6825083571705548
Energy: 1.1699581643502661
Energy: 1.1689332733339304
Energy: 1.838076946653804
Energy: 1.168839147057046
Energy: 1.1939387980360443
Energy: 1.194198561623359
Energy: 1.1164698061121292
Energy: 1.6290513554748085
Energy: 1.1162650399508967
Energy: 1.2006011647240058
Energy: 1.1693114326983345
Energy: 1.194198561623359
Energy: 1.1164698061121292
Energy: 1.6290513554748085
Energy: 1.1162650399508967
Energy: 1.6290894256473347
Energy: 1.1164251879472151
Energy: 1.194209755684336
Energy: 1.169314443529439
Energy: 1.2006654500022624
Energy: 1.1162641988759545
Energy: 1.6290894256473347
Energy: 1.1164251879472151
Energy: 1.194209755684336
Energy: 1.169314443529439
Energy: 1.1688399244712147
Energy: 1.838076946653076
Energy: 1.168946812769931
Energy: 1.1699754599852668
Energy: 1.682523557703427
Energy: 1.5133829514773331
Energy: 1.1688399244712147
Energy: 1.5173570535797647
Energy: 1.168946812769931
Energy: 1.1699754599845384
Energy: 1.1688169320499084
Energy: 1.1947152727040953
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.1688196140608211
Energy: 1.6223057447236495
Energy: 1.1688169320499084
Energy: 1.1947152727040953
Energy: 1.1182178346954808
Energy: 1.1696901913503925
Energy: 1.6825083571705548
Energy: 1.1699581643502661
Energy: 1.1689332733339304
Energy: 1.7271985252528443
Energy: 1.1688391470563175
Energy: 1.1939387980353158
Energy: 1.6825083571705548
Energy: 1.1699581643502661
Energy: 1.1689332733339304
Energy: 1.838076946653804

minimum gb energy = 1.1162641988752262 eV
minimum distance =  2.27970367566047 Angstroms
sigma value = 15


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

Energy: 1.525367880763834
Energy: 1.2678274147819144
Energy: 1.3083079837651188
Energy: 1.3295393866632925
Energy: 1.308309602962213
Energy: 1.288465145858879
Energy: 1.5253678807641644
Energy: 1.2678274147822446
Energy: 1.3083079837654492
Energy: 1.2928635231793637
Energy: 1.3543418693277118
Energy: 1.3562224296497623
Energy: 1.3061440735014154
Energy: 1.3149021436040362
Energy: 1.3356887675522555
Energy: 1.2829852379113864
Energy: 1.3543418693273817
Energy: 1.3562224296497623
Energy: 1.3061440735014154
Energy: 1.314902143603706
Energy: 1.3005159776809598
Energy: 1.2692777540929208
Energy: 1.3570395424343322
Energy: 1.3172995120370576
Energy: 1.321233021170132
Energy: 1.4345687051761946
Energy: 1.3005159776809598
Energy: 1.2692777540925906
Energy: 1.3570395424260773
Energy: 1.3172995120370576
Energy: 1.415482578969902
Energy: 1.2710874672989518
Energy: 1.2833636739668874
Energy: 1.3475660612870217
Energy: 1.3666237291705745
Energy: 1.2830915331922108
Energy: 1.4154825789702323
Energy: 1.2710874672989518
Energy: 1.2833636739665573
Energy: 1.3475660612870217
Energy: 1.2923638457608035
Energy: 1.435894841920766
Energy: 1.2759520654994299
Energy: 1.314245217828967
Energy: 1.3018259113038417
Energy: 1.279104440487379
Energy: 1.2923638457608035
Energy: 1.3876253424418903
Energy: 1.2759520654990997
Energy: 1.314245217828967
Energy: 1.291817187821415
Energy: 1.2690038411814621
Energy: 1.301430150759599
Energy: 1.3070799110431075
Energy: 1.2950083137728736
Energy: 1.4472409846626169
Energy: 1.291817187821415
Energy: 1.2690038411817923
Energy: 1.3014301507592687
Energy: 1.3070799110431075
Energy: 1.3349285368823764
Energy: 1.2356336332714744
Energy: 1.2432226351353353
Energy: 1.3540390842306482
Energy: 1.3357276235735192
Energy: 1.3176393163130293
Energy: 1.3349285368827066
Energy: 1.2356336332718045
Energy: 1.2432226351350053
Energy: 1.3540390842306482
Energy: 1.2723128313733432
Energy: 1.2779242631579255
Energy: 1.2646466528655198
Energy: 1.301363536982357
Energy: 1.3259478198429735
Energy: 1.315080858333042
Energy: 1.272312831373013
Energy: 1.2779242631582557
Energy: 1.2646466528661802
Energy: 1.3013635369830177
Energy: 1.305183318101243
Energy: 1.356338070576242
Energy: 1.3540744702866407
Energy: 1.3060778274039797
Energy: 1.2700024077486765
Energy: 1.2690958431053145
Energy: 1.3051833181015733
Energy: 1.3563380705759118
Energy: 1.3540744702873009
Energy: 1.3060778274036495
Energy: 1.3028918445983162
Energy: 1.283778146753612
Energy: 1.2730754302015492
Energy: 1.2885257544993813
Energy: 1.3060321440034786
Energy: 1.3029396890476412
Energy: 1.3028918445986464
Energy: 1.2837781467532818
Energy: 1.273075430201219
Energy: 1.2885257544993813
Energy: 1.2961738123979951
Energy: 1.3636699729634785
Energy: 1.2546726127030585
Energy: 1.4518314726559132
Energy: 1.2974106224230004
Energy: 1.3147736603462692
Energy: 1.296173812398325
Energy: 1.3636699729628181
Energy: 1.254672612702728
Energy: 1.4518314726562433
Energy: 1.3000200327577154
Energy: 1.3007474126927725
Energy: 1.333709311951573
Energy: 1.2690504046629738
Energy: 1.4130699966116942
Energy: 1.3134544931812184
Energy: 1.3000200327580456
Energy: 1.3007474126927725
Energy: 1.333709311951573
Energy: 1.2690504046626436
Energy: 1.3641034250310475
Energy: 1.2923733818756458
Energy: 1.2718202466357753
Energy: 1.2934489149162292
Energy: 1.2882760970868412
Energy: 1.284835189518937
Energy: 1.3641034250307171
Energy: 1.2923733818753156
Energy: 1.2718202466357753
Energy: 1.2934489149162292
Energy: 1.3082520087669052
Energy: 1.4225882245110923
Energy: 1.2689571999951104
Energy: 1.3732380750061122
Energy: 1.336078699454914
Energy: 1.3188959494261299
Energy: 1.3082520087672354
Energy: 1.4225882245107622
Energy: 1.2689571999954405
Energy: 1.373238075005782
Energy: 1.3151116903585796
Energy: 1.2652903702478295
Energy: 1.2964727649883598
Energy: 1.266909124801083
Energy: 1.3020799640000156
Energy: 1.31174907537234
Energy: 1.3151116903582492
Energy: 1.2652903702471692
Energy: 1.2964727649890204
Energy: 1.2669091248020736
Energy: 1.2545479818536496
Energy: 1.3147354569454437
Energy: 1.3960693731355764
Energy: 1.3131487723575594
Energy: 1.2977662458035477
Energy: 1.3344980293791873
Energy: 1.2545479818536496
Energy: 1.3147354569451135
Energy: 1.3960693731355764
Energy: 1.3131487723582198
Energy: 1.3330603975538096
Energy: 1.306594426114005
Energy: 1.267473854194388
Energy: 1.2806400662453015
Energy: 1.2845193423149022
Energy: 1.3152554566700219
Energy: 1.3330603975534794
Energy: 1.3065944261143352
Energy: 1.267473854194388
Energy: 1.2806400662453015
Energy: 1.3190182628987641
Energy: 1.3355059275398267
Energy: 1.3544557946251057
Energy: 1.2408077434304265
Energy: 1.3283401392411807
Energy: 1.3062425214443096
Energy: 1.3190182628987641
Energy: 1.3355059275398267
Energy: 1.3544557946247755
Energy: 1.240807743429766
Energy: 1.2538794775814333
Energy: 1.3193588213460925
Energy: 1.30209214575806
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Energy: 1.269368011762314
Energy: 1.362891530157502
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Energy: 1.3193588213457623
Energy: 1.30209214575773
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Energy: 1.3321880404269597
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Energy: 1.3321880404279505
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Energy: 1.328442462338659
Energy: 1.284508271805861
Energy: 1.3487178075575543
Energy: 1.2697285751944445
Energy: 1.428662523619005
Energy: 1.2435197741379358
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Energy: 1.2845082718055307
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Energy: 1.2697285751947747
Energy: 1.3086641657699143
Energy: 1.3061260167216553
Energy: 1.4015688733765124
Energy: 1.2928508742681244
Energy: 1.266896796985632
Energy: 1.3014614660842412
Energy: 1.3086641657682632
Energy: 1.3061260167216553
Energy: 1.4015688733765124
Energy: 1.292850874267794
Energy: 1.3534884150352169
Energy: 1.2961466793847554
Energy: 1.314774249991918
Energy: 1.3349116154322334
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Energy: 1.3534884150352169
Energy: 1.2961466793847554
Energy: 1.314774249991918
Energy: 1.3349116154322334
Energy: 1.3090972676455093
Energy: 1.3376214225479175
Energy: 1.2996469350194944
Energy: 1.271887558465088
Energy: 1.2781285983691693
Energy: 1.271835068652671
Energy: 1.3090972676455093
Energy: 1.3376214225479175
Energy: 1.2996469350201547
Energy: 1.2718875584654186
Energy: 1.3063682085986958
Energy: 1.3356479836363135
Energy: 1.2689363858681195
Energy: 1.330849418762705
Energy: 1.2356432954020262
Energy: 1.3196017642046798
Energy: 1.3063682085986958
Energy: 1.3356479836363135
Energy: 1.2689363858681195
Energy: 1.330849418762705
Energy: 1.3798757157397508
Energy: 1.29493886014073
Energy: 1.3149908806929027
Energy: 1.3022369948389627
Energy: 1.2872253074047706
Energy: 1.2749464670322812
Energy: 1.3798757157404111
Energy: 1.2949388601410603
Energy: 1.3149908806935633
Energy: 1.3022369948389627
Energy: 1.2963881411743248
Energy: 1.3484401785517275
Energy: 1.3570018519032117
Energy: 1.3056110031871717
Energy: 1.3897792136209501
Energy: 1.2726016949903258
Energy: 1.2963881411739946
Energy: 1.3484401785517275
Energy: 1.3570018519048628
Energy: 1.3056110031871717
Energy: 1.2366195700762117
Energy: 1.3373090003753498
Energy: 1.311822396021438
Energy: 1.2985750318913583
Energy: 1.2925821233794947
Energy: 1.4066058815254106
Energy: 1.2366195700765419
Energy: 1.3373090003746892
Energy: 1.311822396021438
Energy: 1.2985750318920186
Energy: 1.488717578553491
Energy: 1.2890478699315968
Energy: 1.317452277720963
Energy: 1.3244121008691048
Energy: 1.2930219357483332
Energy: 1.300705376453993
Energy: 1.488717578553491
Energy: 1.2890478699329178
Energy: 1.3174522777203024
Energy: 1.3244121008684444
Energy: 1.2367409651427528
Energy: 1.442113011933277
Energy: 1.3188345739654719
Energy: 1.3057987489763645
Energy: 1.4229683512389117
Energy: 1.3195494359501783
Energy: 1.2367409651427528
Energy: 1.442113011933277
Energy: 1.3188345739651417
Energy: 1.3057987489760343
Energy: 1.2682858667243797
Energy: 1.3013475833070631
Energy: 1.3048155546465188
Energy: 1.305606617114604
Energy: 1.2814098964849001
Energy: 1.4911733561223166
Energy: 1.2682858667243797
Energy: 1.3013475833070631
Energy: 1.304815554646849
Energy: 1.305606617114604
Energy: 1.3280314275958767
Energy: 1.304040535564188
Energy: 1.3130880742633457
Energy: 1.2555010842474854
Energy: 1.319930787992175
Energy: 1.302369591469152
Energy: 1.3280314275962068
Energy: 1.304040535564188
Energy: 1.313088074263676
Energy: 1.2555010842478156
Energy: 1.2600774800425405
Energy: 1.3814640495457284
Energy: 1.317035206253379
Energy: 1.3322164724300567
Energy: 1.3886303627740633
Energy: 1.2849315084843995
Energy: 1.2600774800418801
Energy: 1.3814640495453983
Energy: 1.3170352062530486
Energy: 1.3322164724303869
Energy: 1.2581162510220192
Energy: 1.2916058349056863
Energy: 1.3062889403272595
Energy: 1.3319145768076426
Energy: 1.2830388811894753
Energy: 1.3209799524210133
Energy: 1.2581162510220192
Energy: 1.291605834905356
Energy: 1.3062889403272595
Energy: 1.3319145768076426
Energy: 1.3326897524829582
Energy: 1.2341581060627234
Energy: 1.3450424983891198
Energy: 1.2534797068551247
Energy: 1.3121378160268313
Energy: 1.301357449223186
Energy: 1.3326897524829582
Energy: 1.234158106063384
Energy: 1.34504249838945
Energy: 1.2534797068551247
Energy: 1.2689078899448563
Energy: 1.2969143164697663
Energy: 1.2809836603057605
Energy: 1.3080876371261927
Energy: 1.3142808020321912
Energy: 1.304198360434967
Energy: 1.268907889944526
Energy: 1.2969143164704269
Energy: 1.2809836603087326
Energy: 1.3080876371258625
Energy: 1.2726245123671873
Energy: 1.3204459471316847
Energy: 1.4230684911900733
Energy: 1.3281283248793685
Energy: 1.3184027712113957
Energy: 1.4406632786312539
Energy: 1.2726245123668571
Energy: 1.3204459471300336
Energy: 1.423068491189743
Energy: 1.3281283248790383
Energy: 1.2935087039097042
Energy: 1.264675327496311
Energy: 1.3007327272213418
Energy: 1.4129919273003613
Energy: 1.3155842926142995
Energy: 1.2901739089769524
Energy: 1.2935087039097042
Energy: 1.2646753274959808
Energy: 1.3007327272210114
Energy: 1.4129919273006915
Energy: 1.3087722554926218
Energy: 1.3651063100810361
Energy: 1.2923622757644215
Energy: 1.2698403397601612
Energy: 1.2963547999624343
Energy: 1.3303991745996742
Energy: 1.3087722554926218
Energy: 1.3651063100813663
Energy: 1.2923622757647517
Energy: 1.269840339759831
Energy: 1.2918048412573488
Energy: 1.2728951505468182
Energy: 1.430214460162709
Energy: 1.3059971516622684
Energy: 1.3547238646488595
Energy: 1.3246579600977957
Energy: 1.2918048412570187
Energy: 1.272895150546488
Energy: 1.4302144601633693
Energy: 1.3059971516622684
Energy: 1.401331193173673
Energy: 1.2547257478808018
Energy: 1.4704208519762676
Energy: 1.3015218383847211
Energy: 1.3147764485085223
Energy: 1.296163836814367
Energy: 1.4013311931743033
Energy: 1.2547257478808018
Energy: 1.4704208519762676
Energy: 1.301521838384391
Energy: 1.3014031123670267
Energy: 1.3322851158284739
Energy: 1.2354225602835964
Energy: 1.2722732029849617
Energy: 1.270626052768082
Energy: 1.3361951797146376
Energy: 1.3014031123670267
Energy: 1.3322851158284739
Energy: 1.2354225602835964
Energy: 1.2722732029843014
Energy: 1.3060709882347457
Energy: 1.2717923772383273
Energy: 1.2732758501000685
Energy: 1.2946715716895463
Energy: 1.2974534586101338
Energy: 1.35570700621112
Energy: 1.3060709882347457
Energy: 1.2717923772386575
Energy: 1.273275850099738
Energy: 1.2946715716895463
Energy: 1.3541832894754036
Energy: 1.2932803551807255
Energy: 1.3207418521844387
Energy: 1.4075330293756643
Energy: 1.3174562053521315
Energy: 1.2949431233431496
Energy: 1.3541832894757337
Energy: 1.2932803551813858
Energy: 1.3207418521844387
Energy: 1.4075330293753343
Energy: 1.4016473128170517
Energy: 1.3011683970154562
Energy: 1.2666936903811286
Energy: 1.2934415251757545
Energy: 1.2720950965643663
Energy: 1.3152210815239664
Energy: 1.4016473128150704
Energy: 1.3011683970151262
Energy: 1.2666936903814585
Energy: 1.2934415251754243
Energy: 1.3308830033811527
Energy: 1.3201432485656583
Energy: 1.3397011493161386
Energy: 1.2691974591449833
Energy: 1.4418402777789945
Energy: 1.2830876172467538
Energy: 1.3308830033811527
Energy: 1.3201432485656583
Energy: 1.3397011493171291
Energy: 1.269197459144653
Energy: 1.3062578595930943
Energy: 1.28035894888116
Energy: 1.296696600349787
Energy: 1.2651630851785365
Energy: 1.2969694850486009
Energy: 1.3836873663349039
Energy: 1.3062578595934244
Energy: 1.2803589488818203
Energy: 1.2966966003494569
Energy: 1.265163085177876
Energy: 1.2551906068876149
Energy: 1.2915833414813054
Energy: 1.2688267616712132
Energy: 1.2929245201667778
Energy: 1.301564693454502
Energy: 1.3189736520626805
Energy: 1.255190606887945
Energy: 1.2915833414813054
Energy: 1.2688267616712132
Energy: 1.2929245201667778
Energy: 1.3313472943477445
Energy: 1.3066208216261632
Energy: 1.3583133601540498
Energy: 1.258921220600028
Energy: 1.340866142561233
Energy: 1.2540322219356326
Energy: 1.3313472943477445
Energy: 1.3066208216268236
Energy: 1.35831336015438
Energy: 1.258921220600028

minimum gb energy = 1.2341581060627234 eV
minimum distance =  2.29472743745834 Angstroms
sigma value = 437


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

Energy: 1.3951227803776967
Energy: 1.3574546021173577
Energy: 1.2291701362502532
Energy: 1.3527591456252606
Energy: 1.2292612030760637
Energy: 1.1837376106665405
Energy: 1.3951227803776967
Energy: 1.3574546021185607
Energy: 1.2291701362514562
Energy: 1.3527591456901678
Energy: 1.230047701723447
Energy: 1.6910444034820482
Energy: 1.2295018365822459
Energy: 1.2272642599664692
Energy: 1.4655149740406748
Energy: 1.2523572012677409
Energy: 1.2300477017246503
Energy: 1.6910444034832512
Energy: 1.2295018365822459
Energy: 1.2272642599652663
Energy: 1.1519688083730681
Energy: 1.1971373136398515
Energy: 1.2304871939147397
Energy: 1.1971050502802256
Energy: 1.2305434314929617
Energy: 1.3708214565184944
Energy: 1.151968808371865
Energy: 1.1971373136398515
Energy: 1.2304871939207547
Energy: 1.1971050502814287
Energy: 1.4074442487660441
Energy: 1.1964360847044158
Energy: 1.2291838378924083
Energy: 1.2529384382147244
Energy: 1.2297346521254815
Energy: 1.2522155853103194
Energy: 1.4074442487672474
Energy: 1.1964360847044158
Energy: 1.2291838378924083
Energy: 1.2529384382123183
Energy: 1.1482057158178842
Energy: 1.2125816369430522
Energy: 1.2295462226946419
Energy: 1.211208745407172
Energy: 1.2256691989530433
Energy: 1.1831503314750758
Energy: 1.1482057158178842
Energy: 1.4744246198879938
Energy: 1.2295462226922904
Energy: 1.2112087454047658
Energy: 1.2416865430904664
Energy: 1.2982894045758517
Energy: 1.2286313214885587
Energy: 1.2116944423651266
Energy: 1.2285991842213397
Energy: 1.2116229999286892
Energy: 1.2416865430892636
Energy: 1.2982894045770548
Energy: 1.2286313214873554
Energy: 1.2116944423639233
Energy: 1.2329152964256942
Energy: 1.1972553117890683
Energy: 1.3249533107043405
Energy: 1.2473018248979335
Energy: 1.2296845762028807
Energy: 1.1971586186983352
Energy: 1.232915296426897
Energy: 1.1972553117902716
Energy: 1.3249533107043405
Energy: 1.2473018248979335
Energy: 1.1489802450931386
Energy: 1.197712681780848
Energy: 1.229898939374441
Energy: 1.2529517327747774
Energy: 1.230315150497321
Energy: 1.1964065502876553
Energy: 1.1489802450943416
Energy: 1.1977126817820514
Energy: 1.229898939373238
Energy: 1.2529517327747774
Energy: 1.235040702176396
Energy: 1.24739151820377
Energy: 1.61524409999398
Energy: 1.2264175432920617
Energy: 1.2292442323567185
Energy: 1.2830827885043092
Energy: 1.2350407021751928
Energy: 1.2473915182061759
Energy: 1.615244099995183
Energy: 1.2264175432896556
Energy: 1.1829351501666951
Energy: 1.1866247742384368
Energy: 1.2293888231067962
Energy: 1.168763453973526
Energy: 1.2300672035396638
Energy: 1.3565342234294755
Energy: 1.182935150167898
Energy: 1.1866247742360305
Energy: 1.2293888231116084
Energy: 1.168763453973526
Energy: 1.401394776290316
Energy: 1.2475110735908783
Energy: 1.2342082359659468
Energy: 1.2587780873633814
Energy: 1.3280269534715223
Energy: 1.2006858219114598
Energy: 1.401394776292722
Energy: 1.2475110735920816
Energy: 1.2342082359671496
Energy: 1.2587780873597723
Energy: 1.1483118870279254
Energy: 1.1973657882147375
Energy: 1.393425343731114
Energy: 1.1965114191718615
Energy: 1.3937001069307786
Energy: 1.1975806058032779
Energy: 1.1483118870303315
Energy: 1.1973657882123319
Energy: 1.3934253437323172
Energy: 1.1965114191694555
Energy: 1.4014233114890284
Energy: 1.2010651941039705
Energy: 1.3280269534703193
Energy: 1.2585133222016291
Energy: 1.2342275878405014
Energy: 1.2474797979995276
Energy: 1.4014233114878256
Energy: 1.2010651941039705
Energy: 1.3280269534715223
Energy: 1.2585133222016291
Energy: 1.1843858041671542
Energy: 1.3564791123702256
Energy: 1.2300330183646804
Energy: 1.1687501702055363
Energy: 1.2285607384408233
Energy: 1.1862763255003588
Energy: 1.1843858041659514
Energy: 1.3564791123702256
Energy: 1.2300330183646804
Energy: 1.168750170206739

minimum gb energy = 1.1482057158178842 eV
minimum distance =  2.28533723460642 Angstroms
sigma value = 33