Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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=2.867570169270039
cohesive_energy=4.28033620504353
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: 0.0148721066503073
Energy: 0.015423525993588415
Energy: 0.015141448377571
Energy: 1.7261319627395488
Energy: 0.015141741651059927
Energy: 0.015423529393634958
Energy: 0.0148721066503073
Energy: 0.015423531584253379
Energy: 0.015141608978316852
Energy: 1.2695792900998504
Energy: 0.6427897279234394
Energy: 0.015256136876615348
Energy: 0.01711205787356322
Energy: 0.6387122459025982
Energy: 0.01711205787400701
Energy: 0.015254306295487368
Energy: 0.6427897279236744
Energy: 0.015254444813055698
Energy: 0.0171120578744769
Energy: 0.6387122459033031
Energy: 0.0148721066503073
Energy: 0.015423525812183331
Energy: 0.015141467074929315
Energy: 1.7261319627390792
Energy: 0.015141572581315118
Energy: 0.015423526347444491
Energy: 0.014872106650072355
Energy: 0.015423530787679102
Energy: 0.015141405838614543
Energy: 1.2695792900998504
Energy: 0.6427897279234394
Energy: 0.015256737102251627
Energy: 0.017112057874241957
Energy: 0.6387122459025982
Energy: 0.017112057873772065
Energy: 0.015254800216336201
Energy: 0.6427897279234394
Energy: 0.015255148640180845
Energy: 0.017112057873772065
Energy: 0.6387122459030682
Energy: 0.0148721066503073
Energy: 0.015423529043224768
Energy: 0.015141488448306265
Energy: 1.2695792900996157
Energy: 0.015141647876354023
Energy: 0.015423524246158086
Energy: 0.0148721066503073
Energy: 0.015423529542434635
Energy: 0.015141567174143649
Energy: 1.2695792901000595
Energy: 0.6427897279234394
Energy: 0.015254359354894343
Energy: 0.01711205787356322
Energy: 0.6387122459025982
Energy: 0.0171120578744769
Energy: 0.015254498352380795
Energy: 0.6427897279234394
Energy: 0.015254602747415736
Energy: 0.01711205787400701
Energy: 0.6387122459033031
Energy: 0.0148721066503073
Energy: 0.015423532990697498
Energy: 0.015141474060082215
Energy: 1.2695792900996157
Energy: 0.015141525766299695
Energy: 0.015423525283135212
Energy: 0.014872106650072355
Energy: 0.01542353183293158
Energy: 0.015141442383476169
Energy: 1.7261319627388443

minimum gb energy = 0.014872106650072355 eV
minimum distance =  2.22170802735116 Angstroms
sigma value = 3


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

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Energy: 1.2214280664485901
Energy: 1.2709240296519102
Energy: 1.2181325800055163
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Energy: 1.2214970819659134
Energy: 1.3444199827985073
Energy: 1.2214280664480275
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Energy: 1.2181325796792974
Energy: 1.3048510515521201
Energy: 1.2141962776096797
Energy: 1.268097688188594
Energy: 1.268990971593145
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Energy: 1.268990971593145
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Energy: 1.2166234386689723
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Energy: 1.2028893480383016
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Energy: 1.1983104348884714
Energy: 1.189884455286276
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Energy: 1.1740754702385718
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Energy: 1.2567045272713246
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Energy: 1.2007341754734753
Energy: 1.2449882306234887
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Energy: 1.2160815036962935
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Energy: 1.2477928114365495
Energy: 1.2282219135950734
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Energy: 1.2957083570805963
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Energy: 1.2957083570811592
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Energy: 1.2142010423957776
Energy: 1.3047911832818273
Energy: 1.2372506241341483
Energy: 1.2709882569988091
Energy: 1.2214970819659134
Energy: 1.34441998279907
Energy: 1.2214280664491528
Energy: 1.270924029650222
Energy: 1.2372505441622694
Energy: 1.2709882569982465
Energy: 1.221497081965351
Energy: 1.3444199827996324
Energy: 1.2689909715942707
Energy: 1.2265004609295538
Energy: 1.2074557097922876
Energy: 1.3048510515509946
Energy: 1.2141962776102422
Energy: 1.268097688188594
Energy: 1.2689909715937078
Energy: 1.2265004609295538
Energy: 1.2074557097922876
Energy: 1.3048510515521201
Energy: 1.2028893480371763
Energy: 1.259560433168789
Energy: 1.180993183091868
Energy: 1.260286075162003
Energy: 1.2045178606172882
Energy: 1.2166234386678467
Energy: 1.202889348037739
Energy: 1.2595604331676638
Energy: 1.1773447952616813
Energy: 1.2602860751631284
Energy: 1.2282473527992595
Energy: 1.1905494870511115
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Energy: 1.198310434890722
Energy: 1.1898844552851504
Energy: 1.2282473527992595
Energy: 1.190549487051674
Energy: 1.2444953306612028
Energy: 1.2954400647851958

minimum gb energy = 1.1738122840835454 eV
minimum distance =  2.22487589971525 Angstroms
sigma value = 75


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

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Energy: 1.2963748537401405
Energy: 1.2920942436339091
Energy: 1.3628379776775903
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minimum gb energy = 1.2259168886172602 eV
minimum distance =  2.19735130338332 Angstroms
sigma value = 105


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

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Energy: 1.2810549122422634
Energy: 1.3049156412637297
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Energy: 1.3010783523587246
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Energy: 1.2884462446041625
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Energy: 1.3044968735373879
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Energy: 1.305876501630033
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Energy: 1.2299532421098518
Energy: 1.3443911362117837
Energy: 1.2327238293385416
Energy: 1.2453693933703691
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Energy: 1.2300189310793705
Energy: 1.2299532421104715
Energy: 1.3443911362105447
Energy: 1.2327238293382317
Energy: 1.4150745446318966
Energy: 1.2695219627595258
Energy: 1.3205164492150459
Energy: 1.275677043149513
Energy: 1.273202854582971
Energy: 1.205394307827801
Energy: 1.415074544631587
Energy: 1.2695219627595258
Energy: 1.3205164492134969
Energy: 1.2756770431486117
Energy: 1.2841024699202652
Energy: 1.2678277549527914
Energy: 1.3756144430808208
Energy: 1.2613495442971128
Energy: 1.239821893278429
Energy: 1.3901446470895882
Energy: 1.2841024699208845
Energy: 1.2678277549534112
Energy: 1.3756144430802013
Energy: 1.2613495442974223
Energy: 1.2948555583387003
Energy: 1.2037887870609316
Energy: 1.3174717096757649
Energy: 1.1538468287574208
Energy: 1.283103418790486
Energy: 1.2956414619901844
Energy: 1.2948555583396293
Energy: 1.2037887870606216
Energy: 1.3174717096757649
Energy: 1.15384682875866
Energy: 1.230329489315344
Energy: 1.203961428077846
Energy: 1.2862005902785185
Energy: 1.2327774116474057
Energy: 1.3443346797505988
Energy: 1.1403832908835547
Energy: 1.2303294893159638
Energy: 1.2039614280784654
Energy: 1.2862005902769698
Energy: 1.2327774116467862
Energy: 1.22986337684144
Energy: 1.2934610992489064
Energy: 1.2180032666056297
Energy: 1.1973205379549363
Energy: 1.210020396612352
Energy: 1.2296258076307653
Energy: 1.2298633768411302
Energy: 1.2934610992498359
Energy: 1.2180032666043907
Energy: 1.1973205379543168
Energy: 1.416175623779052
Energy: 1.2829731422375328
Energy: 1.2175779598592409
Energy: 1.2808856977407248
Energy: 1.3059099060293433
Energy: 1.3743996198271728
Energy: 1.4161756237784324
Energy: 1.282973142238772
Energy: 1.2175779598592409
Energy: 1.2808856977407248

minimum gb energy = 1.1225687046123034 eV
minimum distance =  2.23001201109454 Angstroms
sigma value = 165


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

Energy: 1.258804195851404
Energy: 1.2797722525027537
Energy: 1.1370377304338481
Energy: 1.3425108958681982
Energy: 1.1372024361478974
Energy: 1.2798914461573851
Energy: 1.258804195851404
Energy: 1.2797722525016904
Energy: 1.1370377304327846
Energy: 1.2297343233082927
Energy: 1.185265786629776
Energy: 1.1970854215613969
Energy: 1.1362409205615136
Energy: 1.210264472539522
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Energy: 1.2102644725384584
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Energy: 1.3089660500295273
Energy: 1.2790409317308469
Energy: 1.1604731909774773
Energy: 1.1619594809762428
Energy: 1.2661462025206762
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Energy: 1.1604731909785408
Energy: 1.186613507531959
Energy: 1.2042091812455493
Energy: 1.2017704511873033
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Energy: 1.209282733170085
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Energy: 1.2157697933698968
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Energy: 1.1702544164191424
Energy: 1.1442979779086289
Energy: 1.209282733170085
Energy: 1.1568695442022652
Energy: 1.1764340890765532
Energy: 1.1845607596548995
Energy: 1.1971045861948817
Energy: 1.1359109008560537
Energy: 1.442362853891558
Energy: 1.1568695442022652
Energy: 1.1764340890754899
Energy: 1.1845607596559629
Energy: 1.1971045861948817
Energy: 1.2243637384446704
Energy: 1.1806353301942827
Energy: 1.2380737838034772
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Energy: 1.1609091935563038
Energy: 1.1609087421004705
Energy: 1.2243637384446704
Energy: 1.1806353301942827
Energy: 1.2380737838024138
Energy: 1.2017721927487517
Energy: 1.1607676134560472
Energy: 1.2018138880821363
Energy: 1.2041331438760732
Energy: 1.18666389828916
Energy: 1.1363963087772813
Energy: 1.1609879299133883
Energy: 1.1607676134560472
Energy: 1.2018138880821363
Energy: 1.2041331438760732
Energy: 1.1866638982902238
Energy: 1.1604619815834432
Energy: 1.2790409317308469
Energy: 1.3087901364531611
Energy: 1.1698808566837942
Energy: 1.2661462025206762
Energy: 1.1618649525243274
Energy: 1.1604619815834432
Energy: 1.2790409317308469
Energy: 1.3087901364531611
Energy: 1.1698808566837942
Energy: 1.2102187121054637
Energy: 1.1357521618687112
Energy: 1.197183328735196
Energy: 1.1852728933701098
Energy: 1.1611572858469037
Energy: 1.136390784137547
Energy: 1.2102187121054637
Energy: 1.1357521618687112
Energy: 1.197183328735196
Energy: 1.1852728933701098
Energy: 1.2301545323466598
Energy: 1.1372024361468338
Energy: 1.2798914461573851
Energy: 1.258804195851404
Energy: 1.2797722525016904
Energy: 1.1370377304338481
Energy: 1.23015453577364
Energy: 1.1372024361478974
Energy: 1.2798914461573851
Energy: 1.258804195851404

minimum gb energy = 1.1357521618687112 eV
minimum distance =  2.24016183458387 Angstroms
sigma value = 41


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

Energy: 1.5434637835236098
Energy: 1.1714383260289152
Energy: 0.9966945345180637
Energy: 1.1187093254990523
Energy: 0.9967340387524851
Energy: 1.1714382705357864
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Energy: 1.1124284744591533
Energy: 0.996939343851344
Energy: 1.1039953829509024
Energy: 1.1153584872614861
Energy: 1.1222194307884976
Energy: 1.1760742194577187
Energy: 1.023375034849417
Energy: 1.022437572796747
Energy: 1.1762868565783138
Energy: 1.1153584872614861
Energy: 1.1222194307872597
Energy: 1.1760742194560683
Energy: 1.0233750348502422
Energy: 1.143312556426014
Energy: 1.1028248487569199
Energy: 1.1760989400457902
Energy: 1.0145707451504224
Energy: 1.115669438416881
Energy: 0.9969708856790883
Energy: 1.1433125564251887
Energy: 1.1028248487573327
Energy: 1.1760989400474406
Energy: 1.0145707451495973
Energy: 1.1313380590843696
Energy: 1.1041952105633834
Energy: 1.1708265658259358
Energy: 0.9969280447529911
Energy: 1.1438568027369382
Energy: 0.9966429826669254
Energy: 1.1313380590835445
Energy: 1.1041952105633834
Energy: 1.170826565824698
Energy: 0.9969280447534037
Energy: 1.0160814052283673
Energy: 1.1032958870380074
Energy: 1.1430588539340476
Energy: 0.9970445257833468
Energy: 1.1021046463548012
Energy: 1.014816875894421
Energy: 1.0160814052287797
Energy: 1.1032958870380074
Energy: 1.14305885393281
Energy: 0.9970445257833468
Energy: 1.1760403369531234
Energy: 1.1221534199597523
Energy: 1.1221498444343352
Energy: 1.1760403369527106
Energy: 1.0229371029902723
Energy: 1.022941345356594
Energy: 1.1760403369527106
Energy: 1.1221534199605774
Energy: 1.1221498444330973
Energy: 1.1760403369527106
Energy: 0.997042924741812
Energy: 1.1431598990808542
Energy: 1.1033274844224206
Energy: 1.016069183723248
Energy: 1.0147433811348385
Energy: 1.10206109765254
Energy: 0.9970429247422246
Energy: 1.1431598990804417
Energy: 1.1033274844228333
Energy: 1.0160691837228355
Energy: 0.996875078235489
Energy: 1.1708224550906
Energy: 1.1041751154221984
Energy: 1.1318911748050002
Energy: 0.9964932142424874
Energy: 1.144016279822683
Energy: 0.9968750782350764
Energy: 1.170822455089775
Energy: 1.104175115422611
Energy: 1.131891174805413
Energy: 1.0146104413820616
Energy: 1.1760989400466153
Energy: 1.1028383246917637
Energy: 1.1432458901844766
Energy: 0.9968418138410671
Energy: 1.115665061376725
Energy: 1.0146104413824741
Energy: 1.1760989400466153
Energy: 1.1028383246925888
Energy: 1.1432458901828264
Energy: 1.023125487747595
Energy: 1.1760742194564808
Energy: 1.122207288243793
Energy: 1.1154336674099952
Energy: 1.1762868565774882
Energy: 1.022463243583929
Energy: 1.023125487747595
Energy: 1.1760742194564808
Energy: 1.1222072882442056
Energy: 1.1154336674099952
Energy: 1.1039759505189988
Energy: 0.996810325016262
Energy: 1.1123212544898538
Energy: 1.0593410957885845
Energy: 1.016823062818455
Energy: 1.0152541850985684
Energy: 1.1039759505177609
Energy: 0.9968103250158494
Energy: 1.1123212544906789
Energy: 1.0593410957894096
Energy: 1.1450303414317846
Energy: 0.9971309453197483
Energy: 1.171158033045154
Energy: 1.1062369142949768
Energy: 1.1306180616342756
Energy: 1.1133026819772478
Energy: 1.1450303414313723
Energy: 0.9971309453201609
Energy: 1.1711580330447413
Energy: 1.1062369142949768
Energy: 1.112639590176717
Energy: 1.0146149520208168
Energy: 1.1759872097408461
Energy: 1.1024802314098137
Energy: 1.1432940244859031
Energy: 1.0223177327945914
Energy: 1.112639590177542
Energy: 1.0146149520208168
Energy: 1.1759872097412585
Energy: 1.1024802314098137

minimum gb energy = 0.9962745975955397 eV
minimum distance =  2.29957471390324 Angstroms
sigma value = 185


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

Energy: 1.3085695128561932
Energy: 1.0678350436413517
Energy: 1.4047191513636696
Energy: 1.4809790382757777
Energy: 1.4044735356340483
Energy: 1.0866734118298143
Energy: 1.3085695128537445
Energy: 1.0678350436418413
Energy: 1.4047191513626902
Energy: 1.430942291099783
Energy: 1.0604710963228747
Energy: 1.1205298828943242
Energy: 1.0539745430388845
Energy: 1.0676469318302426
Energy: 1.0670283430046934
Energy: 1.1791508349482804
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Energy: 1.0539745430388845
Energy: 1.0676469318302426
Energy: 1.067500024833161
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Energy: 1.4540687406406263
Energy: 1.1019572486259555
Energy: 1.0672453408624687
Energy: 1.0885109878026644
Energy: 1.0675000248326711
Energy: 1.0670630271916641
Energy: 1.4540687406406263
Energy: 1.1019572486303633
Energy: 1.4063405491978704
Energy: 1.0670732074204632
Energy: 1.0676664443103128
Energy: 1.055760697233222
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Energy: 1.4063405491988499
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Energy: 1.0557606972346916
Energy: 1.053292891857171
Energy: 1.0540459100396162
Energy: 1.068849553774923
Energy: 1.073965609077409
Energy: 1.4276246685706928
Energy: 1.0313939427240282
Energy: 1.0532928918576605
Energy: 1.054045910040106
Energy: 1.0688495537744334
Energy: 1.0739656090788783
Energy: 1.082175099809988
Energy: 1.4044854903862958
Energy: 1.2071471780189915
Energy: 1.068010808938381
Energy: 1.100373402204885
Energy: 1.1051853931673412
Energy: 1.0751092103975874
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Energy: 1.2071471780189915
Energy: 1.0680108089378912
Energy: 1.0679669616072567
Energy: 1.1039406575674862
Energy: 1.4039805640658998
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Energy: 1.0873316039393075
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Energy: 1.4039805640663896
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Energy: 1.0318539596861294
Energy: 1.0680019890617154
Energy: 1.0539793499085128
Energy: 1.0574561275987635
Energy: 1.0313779757788863
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Energy: 1.0318539596875986
Energy: 1.0680019890617154
Energy: 1.053979349909982
Energy: 1.0574561275992533
Energy: 1.0557900960099829
Energy: 1.0675805033667165
Energy: 1.0671083656965203
Energy: 1.3081639644560323
Energy: 1.0311330803491172
Energy: 1.0541861891037103
Energy: 1.055790096009493
Energy: 1.0675805033686756
Energy: 1.067108365695051
Energy: 1.3081639653460464
Energy: 1.1381121860856451
Energy: 1.436053872238709
Energy: 1.0670655555415431
Energy: 1.1315171062357383
Energy: 1.067491855990513
Energy: 1.0672605364388783
Energy: 1.1381121860846655
Energy: 1.4360538722382192
Energy: 1.0670655555425228
Energy: 1.131517106236228
Energy: 1.0675161637028852
Energy: 1.053992905551195
Energy: 1.0939975753550857
Energy: 1.031559143918777
Energy: 1.1714486620896318
Energy: 1.0670222515251784
Energy: 1.067516163703375
Energy: 1.053992905551195
Energy: 1.0939975753545959
Energy: 1.031559143916818
Energy: 1.4568926807500053
Energy: 1.4045973810096355
Energy: 1.067951749541477
Energy: 1.2376049175632637
Energy: 1.0678350436423312
Energy: 1.4047191513636696
Energy: 1.4568926807441278
Energy: 1.404597381008656
Energy: 1.048683626488003
Energy: 1.2376049175652228
Energy: 1.0676469318302426
Energy: 1.067028343005183
Energy: 1.1714486620891418
Energy: 1.031816734466769
Energy: 1.1205298828933448
Energy: 1.0539745430393743
Energy: 1.0676469318297528
Energy: 1.067028343005183
Energy: 1.1714486620901217
Energy: 1.0318167344657894
Energy: 1.1015299535273813
Energy: 1.0672453408629583
Energy: 1.1451693098351623
Energy: 1.0675000248336506
Energy: 1.0670486139604698
Energy: 1.4360538722382192
Energy: 1.1015299535273813
Energy: 1.0672453408619789
Energy: 1.1451693098351623
Energy: 1.067500024833161
Energy: 1.0557603217742886
Energy: 1.0602167218747858
Energy: 1.0312559761297844
Energy: 1.4063405491978704
Energy: 1.06707619398887
Energy: 1.069465664766826
Energy: 1.055760321773309
Energy: 1.0602167218767446
Energy: 1.0312559761292945
Energy: 1.4063405491978704
Energy: 1.073965609079858
Energy: 1.4276246685711826
Energy: 1.0313939427230487
Energy: 1.053292891857171
Energy: 1.0540459100405957
Energy: 1.0688495537739435
Energy: 1.0739656090788783
Energy: 1.4276246685711826
Energy: 1.0313939427235383
Energy: 1.0532928918596196
Energy: 1.0680108089378912
Energy: 1.1127821522839745
Energy: 1.1051853931683207
Energy: 1.082175099809498
Energy: 1.4044854903862958
Energy: 1.2167989309996183
Energy: 1.068010808936422
Energy: 1.112782152284954
Energy: 1.1051853931673412
Energy: 1.0884751464710962
Energy: 1.2483160686877977
Energy: 1.1058223797735591
Energy: 1.0873316039383278
Energy: 1.0679658636967908
Energy: 1.1036964547133814
Energy: 1.4041318727970138
Energy: 1.2483160686882875
Energy: 1.1058223797701308
Energy: 1.0873316039383278
Energy: 1.0679658637007088
Energy: 1.0574561275997432
Energy: 1.0313779757788863
Energy: 1.419278755560999
Energy: 1.0318539596871088
Energy: 1.0679940800778287
Energy: 1.0540258299156882
Energy: 1.0574561275997432
Energy: 1.0313779757793762
Energy: 1.419278755560509
Energy: 1.0318539596875986
Energy: 1.308163965151694
Energy: 1.0311330803486276
Energy: 1.0541861891042001
Energy: 1.055790096009493
Energy: 1.0675805033667165
Energy: 1.067108365695051
Energy: 1.3081639668088325
Energy: 1.0311330803496073
Energy: 1.0541861891061592
Energy: 1.0557900960090034
Energy: 1.087206066039999
Energy: 1.067491855990513
Energy: 1.06724443141146
Energy: 1.1381121860851555
Energy: 1.4540687406406263
Energy: 1.0670655555410533
Energy: 1.0872060660385297
Energy: 1.0674918559914925
Energy: 1.0672444314104803
Energy: 1.1381121860846655
Energy: 1.0848358001491423
Energy: 1.1791508349482804
Energy: 1.0671392370118409
Energy: 1.067646339056768
Energy: 1.054002373797224
Energy: 1.0945033641381217
Energy: 1.084835800149632
Energy: 1.17915083494926
Energy: 1.067139237011351
Energy: 1.067646339056768
Energy: 1.3085695128561932
Energy: 1.067835043642821
Energy: 1.4047191513631798
Energy: 1.3409332981457904
Energy: 1.4044735356340483
Energy: 1.0682303788392722
Energy: 1.308569512854234
Energy: 1.067835043640372
Energy: 1.4047191513631798
Energy: 1.3409332980928945
Energy: 1.060471096324344
Energy: 1.120529882894814
Energy: 1.0539745430388845
Energy: 1.0676469318297528
Energy: 1.0670283430037137
Energy: 1.1791508349477908
Energy: 1.060471096322385
Energy: 1.1205298828933448
Energy: 1.0539745430393743
Energy: 1.0676469318307324
Energy: 1.0675000248336506
Energy: 1.0670630271916641
Energy: 1.454068740641116
Energy: 1.101957248626935
Energy: 1.0672453408629583
Energy: 1.0885109878026644
Energy: 1.0675000248326711
Energy: 1.0670630271916641
Energy: 1.4540687406401362
Energy: 1.1019572486328122
Energy: 1.4063405491978704
Energy: 1.0670732074214426
Energy: 1.0676664443103128
Energy: 1.055760697233222
Energy: 1.0602167218752754
Energy: 1.0312559761297844
Energy: 1.40634054919836
Energy: 1.0670732074219325
Energy: 1.0676664443103128
Energy: 1.0557606972346916
Energy: 1.053292891857171
Energy: 1.0540459100396162
Energy: 1.0688495537759026
Energy: 1.0739656090808374
Energy: 1.427624668570203
Energy: 1.0313939427235383
Energy: 1.0532928918581503
Energy: 1.0540459100405957
Energy: 1.0688495537744334
Energy: 1.073965609079368
Energy: 1.0683422746592361
Energy: 1.4044854903862958
Energy: 1.2071471780180119
Energy: 1.068010808938381
Energy: 1.100373402204885
Energy: 1.1051853931673412
Energy: 1.068342274657277
Energy: 1.404485490385806
Energy: 1.2071471780189915
Energy: 1.068010808938381
Energy: 1.0679669616062772
Energy: 1.1039406575674862
Energy: 1.40398056406541
Energy: 1.2367098934304204
Energy: 1.1058223797720899
Energy: 1.0873316039388177
Energy: 1.0679669616067669
Energy: 1.1039406575665065
Energy: 1.4039805640658998
Energy: 1.2367098934289509
Energy: 1.0318539596861294
Energy: 1.0680019890622054
Energy: 1.053979349909982
Energy: 1.057456127598274
Energy: 1.031377975777907
Energy: 1.4192787555600195
Energy: 1.0318539596871088
Energy: 1.0680019890617154
Energy: 1.0539793499094925
Energy: 1.0574561275997432
Energy: 1.055790096009493
Energy: 1.0675805033672061
Energy: 1.0671083656965203
Energy: 1.308163974672649
Energy: 1.0311330803486276
Energy: 1.0541861891051796
Energy: 1.0557900960099829
Energy: 1.0675805033686756
Energy: 1.0671083656955407
Energy: 1.3081639758201522
Energy: 1.1381121860851555
Energy: 1.4360538722391987
Energy: 1.0670655555410533
Energy: 1.1315171062372076
Energy: 1.067491855991003
Energy: 1.0672605364383885
Energy: 1.1381121860856451
Energy: 1.436053872238709
Energy: 1.0670655555430126
Energy: 1.1315171062337792
Energy: 1.0675161637023953
Energy: 1.0539929055507051
Energy: 1.0939975753536164
Energy: 1.0315591439173077
Energy: 1.1714486620896318
Energy: 1.0670222515246885
Energy: 1.0675161637038648
Energy: 1.0539929055516848
Energy: 1.0939975753550857
Energy: 1.031559143916818

minimum gb energy = 1.0311330803486276 eV
minimum distance =  2.26560180863909 Angstroms
sigma value = 33


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

Energy: 1.2571756245905292
Energy: 1.2957441656306306
Energy: 1.171612480718586
Energy: 1.4414493685683447
Energy: 1.1713518761497719
Energy: 1.2957890122806088
Energy: 1.2571756245902606
Energy: 1.2957441656317061
Energy: 1.1716124807180728
Energy: 1.372348187206884
Energy: 1.4611977048494833
Energy: 1.237974428634916
Energy: 1.130041926725839
Energy: 1.195186308828654
Energy: 1.1533463187950301
Energy: 1.19103105749622
Energy: 1.461197704848408
Energy: 1.2379744286357226
Energy: 1.1300419267263766
Energy: 1.1951863088305115
Energy: 1.2482217803714246
Energy: 1.1289528587893667
Energy: 1.2109645491002936
Energy: 1.4537689256417274
Energy: 1.1513668162159152
Energy: 1.1821484301272573
Energy: 1.2482217803692737
Energy: 1.1289528587896356
Energy: 1.210964549101369
Energy: 1.4537689256438786
Energy: 1.2069325066462993
Energy: 1.1287022940403855
Energy: 1.2029137194178832
Energy: 1.133350117195556
Energy: 1.2039085976431583
Energy: 1.4534488105993708
Energy: 1.2069325066446859
Energy: 1.1287022940406541
Energy: 1.2029137194178832
Energy: 1.133350117195556
Energy: 1.1961860901777568
Energy: 1.1290382361966569
Energy: 1.2157588821584067
Energy: 1.4537289565401852
Energy: 1.1958366235613693
Energy: 1.1384433667461857
Energy: 1.1961860901766816
Energy: 1.1290382361950435
Energy: 1.2157588821567935
Energy: 1.4537289565396476
Energy: 1.4633224518087244
Energy: 1.1285369046123404
Energy: 1.2066301168426892
Energy: 1.1816419315406863
Energy: 1.1516204192617039
Energy: 1.4429693791428209
Energy: 1.463322451807649
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Energy: 1.1302184459242341
Energy: 1.221342581674516
Energy: 1.480514886384778
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Energy: 1.1302184459258475
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Energy: 1.4805148863839714
Energy: 1.1928974949385536
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Energy: 1.3164658741566346
Energy: 1.1571907477804848
Energy: 1.2405801182143397
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Energy: 1.2014476477065825
Energy: 1.171872818757536
Energy: 1.3164658741569035
Energy: 1.1571907477836867
Energy: 1.2405801182143397
Energy: 1.1538191978058379
Energy: 1.1651097737582126
Energy: 1.4831081596372868
Energy: 1.2210109898284358
Energy: 1.1297477549988313
Energy: 1.1945998733765963
Energy: 1.1538191978053
Energy: 1.1651097737582126
Energy: 1.4831081596356734
Energy: 1.221010989858794
Energy: 1.151335724119029
Energy: 1.179089065185455
Energy: 1.2488598873716674
Energy: 1.1292563238347073
Energy: 1.2246830778403117
Energy: 1.4536965168111122
Energy: 1.1513357241198354
Energy: 1.1790890651846484
Energy: 1.248859887372474
Energy: 1.1292563238341695
Energy: 1.2535139390380245
Energy: 1.173810629298698
Energy: 1.3470043365408961
Energy: 1.1284237403471413
Energy: 1.2027785392208503
Energy: 1.13568074291314
Energy: 1.2535139390380245
Energy: 1.1738106293005803
Energy: 1.347004336543047
Energy: 1.1284237403490234
Energy: 1.1701122527945753
Energy: 1.138445155831084
Energy: 1.1975511859338457
Energy: 1.1292778429566142
Energy: 1.2225529078135424
Energy: 1.453956701055631
Energy: 1.1701122527943064
Energy: 1.138445155830815
Energy: 1.1975511859343835
Energy: 1.1292778429560764
Energy: 1.1517362571640999
Energy: 1.15269484127097
Energy: 1.4633943741745743
Energy: 1.1282846950735104
Energy: 1.1855109229324874
Energy: 1.184760556720429
Energy: 1.151736257165713
Energy: 1.1526948412704325
Energy: 1.4633943741743056
Energy: 1.128284695074586
Energy: 1.152694851249021
Energy: 1.2146654878165248
Energy: 1.1273708026576947
Energy: 1.2398618535463224
Energy: 1.4847033456125796
Energy: 1.1975863927865107
Energy: 1.1526948512482145
Energy: 1.2146654878173315
Energy: 1.1273708026587703
Energy: 1.239861853328901
Energy: 1.1717444257145826
Energy: 1.210064501890452
Energy: 1.170735458984478
Energy: 1.3109379525354636
Energy: 1.14376424019328
Energy: 1.2409753366908427
Energy: 1.1717444257167333
Energy: 1.210064501891796
Energy: 1.1707354589842092
Energy: 1.3109379525360012
Energy: 1.1298479644715094
Energy: 1.1941158855338097
Energy: 1.1543844407606965
Energy: 1.1648779935203206
Energy: 1.165714294447873
Energy: 1.19559420419113
Energy: 1.1298479644704342
Energy: 1.1941158855356915
Energy: 1.1543844407606965
Energy: 1.1648779935197828
Energy: 1.1746680310387527
Energy: 1.4538982739432926
Energy: 1.1512323181902882
Energy: 1.1796074571536077
Energy: 1.1804813833321195
Energy: 1.1297718690647527
Energy: 1.1746680310387527
Energy: 1.4538982739432926
Energy: 1.1512323181905573
Energy: 1.1796074571536077
Energy: 1.2026774346160831
Energy: 1.3056519784862666
Energy: 1.253458988234844
Energy: 1.1735168445373843
Energy: 1.3470603719678633
Energy: 1.1281318371383335
Energy: 1.2026774346150075
Energy: 1.3056519784862666
Energy: 1.2534589882353813
Energy: 1.1735168445363087
Energy: 1.1514379898262233
Energy: 1.4539787752197957
Energy: 1.195288436819846
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Energy: 1.1999536233497061
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Energy: 1.3275976406472991
Energy: 1.174562007671972
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Energy: 1.170798682951234
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Energy: 1.148260332951288
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Energy: 1.1948376698223389
Energy: 1.1707986829509653
Energy: 1.1644519851297703
Energy: 1.233905963623636
Energy: 1.1738718862455895
Energy: 1.1466324314656509
Energy: 1.1648541700391248
Energy: 1.1548930295485536
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Energy: 1.2339059636241738
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Energy: 1.4715020549506779
Energy: 1.2028421905739684
Energy: 1.1384089215981437
Energy: 1.2549657466450157
Energy: 1.135405387301642

minimum gb energy = 1.1273708026576947 eV
minimum distance =  2.24668774801584 Angstroms
sigma value = 219


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

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Energy: 1.1207936683036268
Energy: 1.13806229004733
Energy: 1.223515508491291
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Energy: 1.1067688450892437
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Energy: 1.1372527885250634
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Energy: 1.1382079983930626
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Energy: 1.2223428695406602
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Energy: 1.120917433486897
Energy: 1.1382079983930626
Energy: 1.1952714427682796
Energy: 1.1380878519349928
Energy: 1.30037661086013

minimum gb energy = 1.1054042967792064 eV
minimum distance =  2.35378686630245 Angstroms
sigma value = 15


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

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Energy: 1.2807143070422726
Energy: 1.4979672627681733
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minimum gb energy = 1.278433898381684 eV
minimum distance =  2.23708768698899 Angstroms
sigma value = 293


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

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Energy: 1.374172668141761
Energy: 1.3584139658759742
Energy: 1.3315977768761293
Energy: 1.4222345668874041
Energy: 1.3857275239897455
Energy: 1.3159004539225485
Energy: 1.4367148023703127
Energy: 1.3162011646630738
Energy: 1.3857507960279376
Energy: 1.4222345668870018
Energy: 1.3857275239897455
Energy: 1.315900453924156
Energy: 1.3513625745626214
Energy: 1.2667718525581881
Energy: 1.3914427476340645
Energy: 1.3132660449414506
Energy: 1.3316014962268001
Energy: 1.3584152016020556
Energy: 1.3741611656943338
Energy: 1.2667718525581881
Energy: 1.391442747632859
Energy: 1.3132660449406468
Energy: 1.3316014962272018
Energy: 1.3695831223699104
Energy: 1.34365113585465
Energy: 1.3657232892574702
Energy: 1.3256580018615116
Energy: 1.3273631854233106
Energy: 1.2749260253597212
Energy: 1.4048650810485155
Energy: 1.3436511358542478
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Energy: 1.3256580018615116
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Energy: 1.3639596323563417
Energy: 1.3124341281062504
Energy: 1.4733407089218624
Energy: 1.3700217823402274
Energy: 1.2671693186175734
Energy: 1.415561321272494
Energy: 1.2899874751974127
Energy: 1.3124341281058485
Energy: 1.4733407089214603
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Energy: 1.2671693186175734
Energy: 1.3124654289346867
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Energy: 1.3160091563558498
Energy: 1.2838532148683541
Energy: 1.3382234963433628
Energy: 1.3168671495326574
Energy: 1.3124654289350886
Energy: 1.316976684211856
Energy: 1.3160091563562517
Energy: 1.283853214868756
Energy: 1.3269164530230468
Energy: 1.3137158093465524
Energy: 1.2749869765187642
Energy: 1.3628387460185278
Energy: 1.4095246619983492
Energy: 1.382419181455158
Energy: 1.3269164530230468
Energy: 1.3137158093469545
Energy: 1.2749869765187642
Energy: 1.3628387460189295
Energy: 1.3258629048501247
Energy: 1.3781290772320105
Energy: 1.378131262315886
Energy: 1.3258631173816988
Energy: 1.299084931440833
Energy: 1.2989899721142222
Energy: 1.325862904849723
Energy: 1.3781290772324126
Energy: 1.378131262315886
Energy: 1.325863117380895
Energy: 1.3626417700817839
Energy: 1.2749010974746926
Energy: 1.3138624832919001
Energy: 1.3269284108969255
Energy: 1.382329757263878
Energy: 1.409503559284652
Energy: 1.3626417700829894
Energy: 1.2749010974742907
Energy: 1.3138624832914982
Energy: 1.3269284108969255
Energy: 1.2838805577235348
Energy: 1.315879173057533
Energy: 1.3168852531999766
Energy: 1.3124641222794635
Energy: 1.316824384406958
Energy: 1.3382330382514924
Energy: 1.2838805577135228
Energy: 1.315879173057533
Energy: 1.3168852531995747
Energy: 1.3124641222790616
Energy: 1.2671963238409794
Energy: 1.3699993229789256
Energy: 1.4733407089214603
Energy: 1.3124167272037035
Energy: 1.2899149623573485
Energy: 1.41556132127169
Energy: 1.2671963238409794
Energy: 1.3699993229789256
Energy: 1.4733407089214603
Energy: 1.3124167272045073
Energy: 1.3639307850949922
Energy: 1.325276719776502
Energy: 1.265949197900774
Energy: 1.3756720834021388
Energy: 1.349561273278804
Energy: 1.344499274879869
Energy: 1.3639307850949922
Energy: 1.3252767197777078
Energy: 1.2659491979011757
Energy: 1.3756720834013347

minimum gb energy = 1.265949197900774 eV
minimum distance =  2.21281936570329 Angstroms
sigma value = 293


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

Energy: 1.110611627960825
Energy: 1.1361768877722793
Energy: 1.1354495567736103
Energy: 1.4585987221565437
Energy: 1.1354531774810885
Energy: 1.2094060484161275
Energy: 1.1106116279600984
Energy: 1.1361768877730056
Energy: 1.1354495567736103
Energy: 1.4170230850293402
Energy: 1.135952247085046
Energy: 1.5897790899360296
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Energy: 1.4214222541075616
Energy: 1.3883534275549478
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Energy: 1.135952247085046
Energy: 1.3485729353349531
Energy: 1.1354494966787572
Energy: 1.3876148879952344
Energy: 1.1819891595757979
Energy: 1.1101763730408714
Energy: 1.3433603694835456
Energy: 1.110434623672385
Energy: 1.1722352216479464
Energy: 1.1354048348724155
Energy: 1.1819891595765244
Energy: 1.1101763730408714
Energy: 1.3433603694835456
Energy: 1.1104346236731113
Energy: 1.3441105334295445
Energy: 1.1103526793740948
Energy: 1.1820242886649635
Energy: 1.1353998120489772
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Energy: 1.3441105334288177
Energy: 1.110352679374821
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Energy: 1.1353535670948562
Energy: 1.1354531774810885
Energy: 1.2512631470041455
Energy: 1.110611627960825
Energy: 1.1361768877722793
Energy: 1.1354495567736103
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Energy: 1.1106116279600984
Energy: 1.1361768877744587
Energy: 1.3883534275549478
Energy: 1.1353065146721522
Energy: 1.1359522470843195
Energy: 1.3485729353349531
Energy: 1.13544949668021
Energy: 1.3195770037156855
Energy: 1.3883534275549478
Energy: 1.1353065146728787
Energy: 1.135952247085046
Energy: 1.3485729353349531
Energy: 1.17223522164722
Energy: 1.1354048348724155
Energy: 1.1819891595765244
Energy: 1.110176373041598
Energy: 1.3433603694835456
Energy: 1.1104346236731113
Energy: 1.1722352216479464
Energy: 1.1354048348724155
Energy: 1.1819891595765244
Energy: 1.110176373041598
Energy: 1.1722335649754387
Energy: 1.1104353678823295
Energy: 1.3441105334288177
Energy: 1.110352679373368
Energy: 1.1820242886642371
Energy: 1.1353998120489772
Energy: 1.1722335649754387
Energy: 1.1104353678816032
Energy: 1.3441105334288177
Energy: 1.110352679374821
Energy: 1.3884290762768794
Energy: 1.3877074376047545
Energy: 1.1354577788714026
Energy: 1.6064677121561737
Energy: 1.1359544303479452
Energy: 1.1353535670948562
Energy: 1.3884290762754266
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Energy: 1.6064677121569
Energy: 1.1354495567736103
Energy: 1.4695803469098716
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Energy: 1.110611627960825
Energy: 1.1361768877722793
Energy: 1.1354495567736103
Energy: 1.4170230850293402
Energy: 1.1354531774810885
Energy: 1.2512631470041455
Energy: 1.1354494966787572
Energy: 1.218036332370384
Energy: 1.3883534275542213
Energy: 1.1353065146721522
Energy: 1.135952247085046
Energy: 1.3485729353349531
Energy: 1.13544949668021
Energy: 1.3195770037156855
Energy: 1.3883534275549478
Energy: 1.1353065146728787
Energy: 1.3433603694828193
Energy: 1.1104346236731113
Energy: 1.17223522164722
Energy: 1.1354048348724155
Energy: 1.1819891595765244
Energy: 1.110176373040145
Energy: 1.3433603694835456
Energy: 1.1104346236731113
Energy: 1.17223522164722
Energy: 1.1354048348724155
Energy: 1.1820242886642371
Energy: 1.1353998120497035
Energy: 1.1722335649754387
Energy: 1.1104353678816032
Energy: 1.3441105334288177
Energy: 1.1103526793740948
Energy: 1.1820242886642371
Energy: 1.1353998120489772
Energy: 1.1722335649754387
Energy: 1.1104353678816032
Energy: 1.135954430348672
Energy: 1.1353535670948562
Energy: 1.3884290762761526
Energy: 1.3877074376047545
Energy: 1.1354577788714026
Energy: 1.6064677121569
Energy: 1.1359544303479452
Energy: 1.13535356709413
Energy: 1.3884290762761526
Energy: 1.3116675395294835
Energy: 1.110611627960825
Energy: 1.1361768877730056
Energy: 1.1354495567736103
Energy: 1.417023085030067
Energy: 1.1354531774810885
Energy: 1.1820644812526448
Energy: 1.1106116279600984
Energy: 1.1361768877722793
Energy: 1.1354495567736103
Energy: 1.4170230850293402
Energy: 1.135952247085046
Energy: 1.3485729353349531
Energy: 1.1354494966794837
Energy: 1.2062705180691171
Energy: 1.3883534275542213
Energy: 1.1353065146721522
Energy: 1.1359522470843195
Energy: 1.3485729353349531
Energy: 1.13544949668021
Energy: 1.3195770037149588
Energy: 1.1819891595772505
Energy: 1.1101763730408714
Energy: 1.3433603694828193
Energy: 1.110434623672385
Energy: 1.17223522164722
Energy: 1.1354048348724155
Energy: 1.1819891595765244
Energy: 1.1101763730408714
Energy: 1.3433603694835456
Energy: 1.1104346236731113
Energy: 1.3441105334288177
Energy: 1.1103526793740948
Energy: 1.1820242886642371
Energy: 1.1353998120489772
Energy: 1.1722335649754387
Energy: 1.1104353678816032
Energy: 1.3441105334288177
Energy: 1.110352679373368
Energy: 1.1820242886642371
Energy: 1.1353998120489772
Energy: 1.1354577788721292
Energy: 1.6064677121569
Energy: 1.135954430348672
Energy: 1.13535356709413
Energy: 1.3884290762761526
Energy: 1.3877074376047545
Energy: 1.1354577788714026
Energy: 1.6064677121569
Energy: 1.1359544303479452
Energy: 1.1353535670948562
Energy: 1.1354531774810885
Energy: 1.1820644812526448
Energy: 1.110611627960825
Energy: 1.1361768877730056
Energy: 1.1354495567736103
Energy: 1.417023085030067
Energy: 1.1354531774810885
Energy: 1.1820644812533716
Energy: 1.1106116279600984
Energy: 1.1361768877722793
Energy: 1.3883534275549478
Energy: 1.1353065146728787
Energy: 1.135952247085046
Energy: 1.3485729353349531
Energy: 1.1354494966794837
Energy: 1.2062705180691171
Energy: 1.3883534275542213
Energy: 1.1353065146721522
Energy: 1.135952247085046
Energy: 1.3485729353349531

minimum gb energy = 1.110176373040145 eV
minimum distance =  2.21755063728263 Angstroms
sigma value = 15


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

Energy: 1.459541037422396
Energy: 1.3208353753666842
Energy: 1.3094657238255798
Energy: 1.3103075532324238
Energy: 1.3094753707298787
Energy: 1.3210845077026776
Energy: 1.4595410374220668
Energy: 1.3208353753676723
Energy: 1.309465723824592
Energy: 1.443664996442075
Energy: 1.363378595400824
Energy: 1.3734891999890861
Energy: 1.3079210549123461
Energy: 1.2993703517641544
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Energy: 1.2795108019528916
Energy: 1.363378595400824
Energy: 1.3734891999880983
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Energy: 1.299370351764813
Energy: 1.3656396345044037
Energy: 1.2704966946268967
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Energy: 1.3165214322819085
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Energy: 1.365639634504733
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Energy: 1.3585114181173747
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Energy: 1.299395965057541
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Energy: 1.4461811663421278
Energy: 1.2673805417882271
Energy: 1.3173148317171328
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Energy: 1.2673805417882271
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Energy: 1.367158061699025
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Energy: 1.2648898230483585
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Energy: 1.2648898230483585
Energy: 1.4040470452182559
Energy: 1.3063226355879232
Energy: 1.3144175323926433
Energy: 1.4326903119003125
Energy: 1.3017259704415096
Energy: 1.3746582808563692
Energy: 1.4040470452182559
Energy: 1.3063226355866058
Energy: 1.3144175323926433
Energy: 1.4326903118996537
Energy: 1.2358736333739566
Energy: 1.3864821153085483
Energy: 1.331411597344121
Energy: 1.320239028426646
Energy: 1.3932539935568262
Energy: 1.2848313407702374
Energy: 1.2358736333749445
Energy: 1.386482115308219
Energy: 1.331411597344121
Energy: 1.320239028426646
Energy: 1.2353111973631916
Energy: 1.3072256811769145
Energy: 1.4446045279800384
Energy: 1.3139934251386156
Energy: 1.3874458742873208
Energy: 1.4093878628197027
Energy: 1.2353111973648379
Energy: 1.307225681176256
Energy: 1.4446045279823434
Energy: 1.3139934251386156
Energy: 1.3560476025797354
Energy: 1.3075516612838847
Energy: 1.2989413143521984
Energy: 1.2513737129068419
Energy: 1.3855158843825055
Energy: 1.2845845899505002
Energy: 1.3560476025794062
Energy: 1.3075516612845435
Energy: 1.2989413143525277
Energy: 1.2513737129055245
Energy: 1.2444450050948357
Energy: 1.3669924680807253
Energy: 1.3140917564845362
Energy: 1.3343975381548574
Energy: 1.3457559367925593
Energy: 1.330981934346867
Energy: 1.2444450050948357
Energy: 1.3669924680800667
Energy: 1.314091756484207
Energy: 1.334397538154528
Energy: 1.2446998894736587
Energy: 1.394694561222349
Energy: 1.3239628907156094
Energy: 1.342817518653601
Energy: 1.2750372160604553
Energy: 1.3403691380229887
Energy: 1.244699889473988
Energy: 1.3946945612216903
Energy: 1.3239628907165972
Energy: 1.3428175186526132
Energy: 1.3572697089384154
Energy: 1.2343819060330772
Energy: 1.319709176733
Energy: 1.2497340333868339
Energy: 1.3057986727032087
Energy: 1.30710066754011
Energy: 1.3572697089394032
Energy: 1.2343819060330772
Energy: 1.3197091767326707
Energy: 1.2497340333874922
Energy: 1.3648951268348308
Energy: 1.3910917845580355
Energy: 1.3005602300457608
Energy: 1.307939574807611
Energy: 1.350044847747581
Energy: 1.3073823708666508
Energy: 1.3648951268345015
Energy: 1.3910917845577062
Energy: 1.3005602300460903
Energy: 1.307939574808599
Energy: 1.2670930537511376
Energy: 1.2849677412119809
Energy: 1.3936402587800072
Energy: 1.322932341733667
Energy: 1.3289443473726212
Energy: 1.3842717089186787
Energy: 1.2670930537508083
Energy: 1.2849677412116516
Energy: 1.3936402587790193
Energy: 1.322932341733996
Energy: 1.3854784654522287
Energy: 1.3340357547795043
Energy: 1.3578784154840422
Energy: 1.4675658210826934
Energy: 1.3138513229183886
Energy: 1.392695657879624
Energy: 1.3854784654532166
Energy: 1.3340357547785164
Energy: 1.3578784154837127
Energy: 1.4675658210820348
Energy: 1.2892029822731088
Energy: 1.3388434933512707
Energy: 1.3013876534633428
Energy: 1.2641167478133921
Energy: 1.2806564659276651
Energy: 1.3234033619411592
Energy: 1.289202982273438
Energy: 1.3388434933506124
Energy: 1.3013876534630138
Energy: 1.2641167478133921
Energy: 1.3316193519532704
Energy: 1.276828171534481
Energy: 1.3409239820704821
Energy: 1.3077749500825857
Energy: 1.3446562660124879
Energy: 1.310591307334954
Energy: 1.3316193519532704
Energy: 1.2768281715338223
Energy: 1.3409239820714705
Energy: 1.3077749500832443
Energy: 1.3593290332646393
Energy: 1.2377023030894019
Energy: 1.4035055737713293
Energy: 1.321871794938073
Energy: 1.328495074993392
Energy: 1.2875383810049863
Energy: 1.3593290332649683
Energy: 1.2377023030894019
Energy: 1.4035055737713293
Energy: 1.3218717949377436
Energy: 1.3212486075479621
Energy: 1.2910796073287338
Energy: 1.2368972093929387
Energy: 1.266477717090134
Energy: 1.26506463338139
Energy: 1.3280685040814566
Energy: 1.3212486075473036
Energy: 1.291079607326758
Energy: 1.2368972093926094
Energy: 1.2664777170894754
Energy: 1.3077020850319165
Energy: 1.405803845032671
Energy: 1.4283456655754383
Energy: 1.333151222206575
Energy: 1.3012988392779488
Energy: 1.3590739848443405
Energy: 1.3077020850329044
Energy: 1.405803845032671
Energy: 1.4283456655751088
Energy: 1.333151222206575
Energy: 1.3269583474004998
Energy: 1.3076247040996196
Energy: 1.3629627336476933
Energy: 1.3636765888058897
Energy: 1.3145342363932373
Energy: 1.2815087549953459
Energy: 1.326958347399512
Energy: 1.3076247040992903
Energy: 1.3629627336486814
Energy: 1.3636765888058897
Energy: 1.4886660342464948
Energy: 1.3557161408265883
Energy: 1.33768766656129
Energy: 1.384858609987943
Energy: 1.4237011427204305
Energy: 1.3136171577643672
Energy: 1.4886660342464948
Energy: 1.3557161408275762
Energy: 1.337687666561619
Energy: 1.3848586099889313
Energy: 1.3250781169783314
Energy: 1.300127904331208
Energy: 1.3263348951921672
Energy: 1.2671146238011932
Energy: 1.3839001789650223
Energy: 1.2710473591361287
Energy: 1.32507811697899
Energy: 1.3001279043328546
Energy: 1.3263348951911793
Energy: 1.2671146238011932
Energy: 1.3073555093501885
Energy: 1.3007556208645552
Energy: 1.3906380226389818
Energy: 1.3869893738308325
Energy: 1.3023274379659533
Energy: 1.3695779174292944
Energy: 1.3073555093492006
Energy: 1.300755620864226
Energy: 1.39063802263997
Energy: 1.3869893738305032
Energy: 1.2513775530122893
Energy: 1.2844195726377041
Energy: 1.2695180805506707
Energy: 1.483697228878028
Energy: 1.3574718695760304
Energy: 1.314896244225587
Energy: 1.2513775530122893
Energy: 1.284419572636387
Energy: 1.2695180805516586
Energy: 1.48369722887704
Energy: 1.3418423544765017
Energy: 1.3232780223314495
Energy: 1.3772517993820337
Energy: 1.2442642123512517
Energy: 1.3325532510835416
Energy: 1.2500103462837762
Energy: 1.341842354476831
Energy: 1.3232780223304617
Energy: 1.3772517993826925
Energy: 1.2442642123515808

minimum gb energy = 1.2343819060330772 eV
minimum distance =  2.27144498951083 Angstroms
sigma value = 437


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

Energy: 1.3600995667074474
Energy: 1.4129069263309668
Energy: 1.2812618015735393
Energy: 1.302669981741693
Energy: 1.2812804063568943
Energy: 1.4133610170462862
Energy: 1.3600995667074474
Energy: 1.4129069263309668
Energy: 1.2812618015723396
Energy: 1.302669981715354
Energy: 1.3145456483360156
Energy: 1.52502706731073
Energy: 1.279187560340153
Energy: 1.2632942150115014
Energy: 1.3884244736496114
Energy: 1.2576168023417083
Energy: 1.3145456483360156
Energy: 1.52502706731073
Energy: 1.279187560340153
Energy: 1.2632942150127013
Energy: 1.2456026345693667
Energy: 1.2562801591234947
Energy: 1.2546248620551608
Energy: 1.255555110625154
Energy: 1.4372342685860613
Energy: 1.3317855770928893
Energy: 1.2456026345693667
Energy: 1.2562801591222952
Energy: 1.254624862053961
Energy: 1.2555551106227547
Energy: 1.4488740085963119
Energy: 1.2552707187200387
Energy: 1.279079333759813
Energy: 1.2598405745732522
Energy: 1.3183013961146073
Energy: 1.259499527270898
Energy: 1.4488740085963119
Energy: 1.2552707187212382
Energy: 1.2790793337586135
Energy: 1.2598405745720522
Energy: 1.247561403161365
Energy: 1.3406057972241112
Energy: 1.2807105198894808
Energy: 1.3238091450320002
Energy: 1.2323705617746343
Energy: 1.21738992431425
Energy: 1.247561403161365
Energy: 1.2527457751839053
Energy: 1.2807105198882807
Energy: 1.3238091450308003
Energy: 1.2481414274315574
Energy: 1.290268279283264
Energy: 1.284875122302344
Energy: 1.2450007519294686
Energy: 1.2849616288620753
Energy: 1.3344346632477688
Energy: 1.2481414274315574
Energy: 1.290268279283264
Energy: 1.2848751222999446
Energy: 1.2450007519294686
Energy: 1.437423551921734
Energy: 1.256378324329015
Energy: 1.3298340970064295
Energy: 1.254348349656586
Energy: 1.2788245404824505
Energy: 1.255508037556525
Energy: 1.4374235519229335
Energy: 1.256378324329015
Energy: 1.32983409700523
Energy: 1.254348349656586
Energy: 1.2369329739536346
Energy: 1.3175720486213511
Energy: 1.2793956687001797
Energy: 1.2591400778930602
Energy: 1.2587662755665285
Energy: 1.255248392039892
Energy: 1.236932973951235
Energy: 1.3175720486201514
Energy: 1.2793956686977803
Energy: 1.2591400778942596
Energy: 1.2336162469647707
Energy: 1.3347293865330776
Energy: 1.470390074200149
Energy: 1.258731638943342
Energy: 1.281122478980575
Energy: 1.5259303768535648
Energy: 1.2336162469623715
Energy: 1.3347293865354772
Energy: 1.4703900742013487
Energy: 1.258731638943342
Energy: 1.30922449300863
Energy: 1.252130931784525
Energy: 1.2860571230205047
Energy: 1.322784927603695
Energy: 1.2793850179770592
Energy: 1.4415019090878396
Energy: 1.30922449300863
Energy: 1.252130931785725
Energy: 1.2860571230217046
Energy: 1.3227849276048946
Energy: 1.3376243949558042
Energy: 1.2546762206635345
Energy: 1.2808686410278605
Energy: 1.2643659429290075
Energy: 1.3307549082712997
Energy: 1.2563893485580422
Energy: 1.3376243949546043
Energy: 1.2546762206647342
Energy: 1.2808686410266605
Energy: 1.2643659429290075
Energy: 1.2145193010200224
Energy: 1.317360884481345
Energy: 1.474017305273972
Energy: 1.2551339115688416
Energy: 1.474051452181109
Energy: 1.3173901550122582
Energy: 1.2145193010200224
Energy: 1.317360884481345
Energy: 1.474017305275172
Energy: 1.2551339115688416
Energy: 1.337706082240258
Energy: 1.2566063309106486
Energy: 1.3307549082712997
Energy: 1.2643551190731181
Energy: 1.280936520431339
Energy: 1.2547065157160022
Energy: 1.337706082240258
Energy: 1.2566063309118483
Energy: 1.3307549082712997
Energy: 1.2643551190743183
Energy: 1.3050032695335103
Energy: 1.4414234766313758
Energy: 1.279376487318105
Energy: 1.3227507068036277
Energy: 1.284947542377557
Energy: 1.2520750850700464
Energy: 1.3050032695347098
Energy: 1.4414234766313758
Energy: 1.2793764873193048
Energy: 1.3227507068048279

minimum gb energy = 1.2145193010200224 eV
minimum distance =  2.28424925989212 Angstroms
sigma value = 33