Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700485944747925
cohesive_energy=1.5099470904077228
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: 0.0063111914133856415
Energy: 1.6960959153925144
Energy: 1.696095915392389
Energy: 0.006311191413526727
Energy: 1.6960959153925144
Energy: 1.6960959153925144
Energy: 0.006311191413526727
Energy: 1.6960959153925144
Energy: 1.696095915392389
Energy: 0.00631119141366781
Energy: 1.6957693712755932
Energy: 0.00779621882030236
Energy: 1.7780350214374605
Energy: 1.6957693712757345
Energy: 0.00779621882030236
Energy: 1.7780350214376015
Energy: 1.6957693712755932
Energy: 0.00779621882030236
Energy: 1.7780350214374605
Energy: 1.6957693712757345
Energy: 1.5061185846098468
Energy: 0.21485824022356706
Energy: 0.4631620910307383
Energy: 1.1281997455750135
Energy: 0.6476818383522097
Energy: 0.006545629839033218
Energy: 1.5290869849504238
Energy: 0.8672133569466687
Energy: 0.006545629838892134
Energy: 0.8094729852417044
Energy: 1.6957693712757345
Energy: 1.7780350214376015
Energy: 0.00779621882030236
Energy: 1.6957693712757345
Energy: 1.7780350214376015
Energy: 0.00779621882030236
Energy: 1.6957693712755932
Energy: 1.7780350214374605
Energy: 0.00779621882030236
Energy: 1.6957693712757345
Energy: 0.00631119141366781
Energy: 1.6960959153925144
Energy: 1.6960959153925144
Energy: 0.00631119141366781
Energy: 1.696095915392389
Energy: 1.6960959153925144
Energy: 0.006311191413526727
Energy: 1.696095915392389
Energy: 1.6960959153925144
Energy: 0.006311191413526727
Energy: 1.6957693712755932
Energy: 0.007796218820161276
Energy: 1.7780350214377425
Energy: 1.6957693712757345
Energy: 0.007796218820161276
Energy: 1.7780350214376015
Energy: 1.6957693712757345
Energy: 0.007796218820161276
Energy: 1.7780350214377425
Energy: 1.6957693712757345
Energy: 0.8096330923506364
Energy: 0.006545629838892134
Energy: 0.6476818383523352
Energy: 0.8094449549070342
Energy: 0.21485824022356706
Energy: 0.4393181037382065
Energy: 0.8094498485071006
Energy: 0.5505899850582388
Energy: 0.21485824022356706
Energy: 0.8094398628532589

minimum gb energy = 0.0063111914133856415 eV
minimum distance =  2.32638391754431 Angstroms
sigma value = 3


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

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Energy: 1.5248545038047876
Energy: 1.4183136667062628
Energy: 1.074170877395519
Energy: 1.5248545038047876
Energy: 1.4183136667066008
Energy: 1.1075180374660814
Energy: 1.5248545038047876
Energy: 1.4183136667076144
Energy: 1.074170877395181
Energy: 1.2802454577257738
Energy: 1.028440114809903
Energy: 1.433712600743449
Energy: 1.280245419658978
Energy: 1.028440114809903
Energy: 1.4337126007437868
Energy: 1.2802454431556471
Energy: 1.028440114809227
Energy: 1.4337126007437868
Energy: 1.2802454017562068
Energy: 1.2390074343782878
Energy: 1.4442937699464717
Energy: 1.34170662658976
Energy: 1.2331482533315918
Energy: 1.444293769945796
Energy: 1.341706626589422
Energy: 1.239007434377612
Energy: 1.444293769945796
Energy: 1.3417066265900979
Energy: 1.2331482533315918
Energy: 1.5169311605487372
Energy: 1.471255903983136
Energy: 0.8706294058078978
Energy: 1.5169311605487372
Energy: 1.471255903983474
Energy: 0.8706294058072221
Energy: 1.5169311605483995
Energy: 1.4712559039841495
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Energy: 1.5169311605477236
Energy: 0.8058307276042111
Energy: 1.3271228931370491
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Energy: 0.805830727604887
Energy: 1.5327735259174056
Energy: 0.8715275341337243
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Energy: 1.5327735259187572
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Energy: 1.3481348119041143
Energy: 1.0362222741000087
Energy: 1.405796717268408
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Energy: 1.0775226961250037
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Energy: 1.424612634202749
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Energy: 1.460394558595924
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Energy: 1.4919481713158342
Energy: 0.8720411576663804
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Energy: 1.2887182626055333
Energy: 1.3992524045790864
Energy: 1.0284211231142821
Energy: 1.2887182626048572
Energy: 1.3992524045784105
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Energy: 1.2887182626041815
Energy: 1.3992524045790864
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Energy: 1.2887182626048572
Energy: 0.9551219290658312
Energy: 1.2044644681214027
Energy: 1.2940832326615057
Energy: 0.9551219290090938
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Energy: 0.9551219290019977
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Energy: 1.410038060404125
Energy: 1.0642358612242069
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Energy: 1.4100380673477113
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Energy: 1.0642358612252203
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Energy: 1.0363900273048794
Energy: 1.3419635118436977
Energy: 1.2126878490754849
Energy: 1.0363900273045414
Energy: 1.3419635118440356
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Energy: 1.0363900273038655
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Energy: 1.4281485522039383
Energy: 1.5367685138511402
Energy: 0.9783094479648982
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Energy: 1.5367685138521539
Energy: 0.9783094480050935
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Energy: 0.9783094479632085
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Energy: 1.4985911061835717
Energy: 1.3047703667535255
Energy: 0.8801053302289746
Energy: 1.498591106179179
Energy: 1.3040095674552552
Energy: 0.8801053302286368
Energy: 1.498591106179517
Energy: 1.3047703667531876
Energy: 0.8801053302289746
Energy: 1.498591106178841
Energy: 0.802189945134171
Energy: 1.4934813762110124
Energy: 1.4621823780186094
Energy: 0.8021899451351847
Energy: 1.492368943400744
Energy: 1.4620439151226428
Energy: 0.802189945134847
Energy: 1.4934813762187844
Energy: 1.4621823780192855
Energy: 0.802189945134847
Energy: 1.412157223787322
Energy: 0.8720657925418137
Energy: 1.460821032410956
Energy: 1.4121572238265037
Energy: 0.8720657925428276
Energy: 1.4608210324102804
Energy: 1.4121572238481142
Energy: 0.8720657925414758
Energy: 1.4608210324092668
Energy: 1.412157223967687
Energy: 1.2554667903774028
Energy: 1.4068409991611794
Energy: 1.0801309285259895
Energy: 1.2554667903774028
Energy: 1.4068409992091315
Energy: 1.0801309127960153
Energy: 1.2554667903774028
Energy: 1.4068409992611535
Energy: 1.0801309491824655
Energy: 1.2554667903770649
Energy: 0.9234885155587002
Energy: 1.3623544288307667
Energy: 1.0290556301405172
Energy: 0.9246654384794587
Energy: 1.3623544288300908
Energy: 1.029194510653289
Energy: 0.9254280005587582
Energy: 1.3623544288304288
Energy: 1.0290556301405172
Energy: 0.9227433361959596
Energy: 1.076799078465115
Energy: 1.5248545038044496
Energy: 1.4183136667113312
Energy: 1.077487871371811
Energy: 1.5248545038044496
Energy: 1.418313666712683
Energy: 1.076799078465115
Energy: 1.5248545038044496
Energy: 1.4183136667113312
Energy: 1.0774878713711353
Energy: 1.2802454100991232
Energy: 1.0284401148102407
Energy: 1.4337126007431111
Energy: 1.280245432750735
Energy: 1.0284401148102407
Energy: 1.4337126007431111
Energy: 1.280245418987513
Energy: 1.028440114809565
Energy: 1.433712600743449
Energy: 1.2802454270278039
Energy: 1.2033933147978897
Energy: 1.444293769945796
Energy: 1.34170662658976
Energy: 1.2031925581938354
Energy: 1.444293769945796
Energy: 1.3417066265890842
Energy: 1.2033933147978897
Energy: 1.444293769945796
Energy: 1.341706626589422
Energy: 1.203192558193498
Energy: 1.516931160549413
Energy: 1.471255903983136
Energy: 0.8706294058075601
Energy: 1.516931160549413
Energy: 1.4712559039838118
Energy: 0.8706294058068842
Energy: 1.516931160549075
Energy: 1.4712559039841495
Energy: 0.8706294058078978
Energy: 1.5169311605487372

minimum gb energy = 0.802189945134171 eV
minimum distance =  2.34743397186741 Angstroms
sigma value = 75


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

Energy: 1.2092417589509743
Energy: 1.010079951306614
Energy: 1.1951994040748657
Energy: 1.1385847504408093
Energy: 1.0100799512218954
Energy: 1.1951994040747007
Energy: 1.2092417589509743
Energy: 1.0100799513774834
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Energy: 1.1385847504408093
Energy: 1.2565530830539346
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minimum gb energy = 0.9961426956919013 eV
minimum distance =  2.30890570329504 Angstroms
sigma value = 105


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

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Energy: 1.3184291266360897
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Energy: 1.4560158086762687
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Energy: 1.30842689417509
Energy: 1.22431674725317
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Energy: 1.2036000081381726
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Energy: 1.3499877550298112
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Energy: 1.2550004168147826
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Energy: 1.2550004168142244
Energy: 1.3562646966191236
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Energy: 1.255000416810132
Energy: 1.3562646966189376
Energy: 1.1482288806979652
Energy: 1.3435795775633492
Energy: 1.3617537067007226
Energy: 1.1482288806983372
Energy: 1.3435795775640933
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Energy: 1.1482288806983372
Energy: 1.3435795775661392
Energy: 1.3617537067014664
Energy: 1.1482288806979652
Energy: 1.3008973101232495
Energy: 1.1995679175250678
Energy: 1.2954774355008454
Energy: 1.3008973101217616
Energy: 1.1978433127913426
Energy: 1.295477435500473
Energy: 1.3008973101230634
Energy: 1.199567917524882
Energy: 1.295477435500473
Energy: 1.3008973101208312
Energy: 1.2311482018775246
Energy: 1.256290028480306
Energy: 1.3483514573734012
Energy: 1.2311482018788267
Energy: 1.256184309432648
Energy: 1.3483514573739594
Energy: 1.2311482018741766
Energy: 1.256290028480306
Energy: 1.3483514573739594
Energy: 1.2311482018767808
Energy: 1.3038847858730491
Energy: 1.199863768620531
Energy: 1.1683769413459226
Energy: 1.3038847857553633
Energy: 1.1998637686209028
Energy: 1.1683769413455505
Energy: 1.303884785761307
Energy: 1.1998637686212748
Energy: 1.1683769413461085
Energy: 1.3038847855499054
Energy: 1.1622102947925723
Energy: 1.2796226311444643
Energy: 1.2421810538348927
Energy: 1.1622102947922002
Energy: 1.2918152771556177
Energy: 1.2421810538466116
Energy: 1.1622102947925723
Energy: 1.2796226311611967
Energy: 1.2421810538447513
Energy: 1.1622102947925723
Energy: 1.3594594335200352
Energy: 1.4239817682761222
Energy: 1.3093907926516097
Energy: 1.359459433520221
Energy: 1.3718439967472602
Energy: 1.309390792652168
Energy: 1.359459433520221
Energy: 1.4239817682768663
Energy: 1.3093907926519819
Energy: 1.3594594335200352
Energy: 1.360900212339794
Energy: 1.0976499103488877
Energy: 1.2669717488953165
Energy: 1.3609002123412821
Energy: 1.0976831662194053
Energy: 1.2669717459251069
Energy: 1.3609002123414682
Energy: 1.0976499103490738
Energy: 1.2669717448411437
Energy: 1.3609002123416543

minimum gb energy = 1.095221818637413 eV
minimum distance =  2.3009399967425 Angstroms
sigma value = 165


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

Energy: 1.2293386969692273
Energy: 1.188003303384131
Energy: 1.2201534735498114
Energy: 1.1735200395633008
Energy: 1.188003303384131
Energy: 1.2201534735498114
Energy: 1.2293386969685889
Energy: 1.1880033033834925
Energy: 1.2201534735498114
Energy: 1.1735200395633008
Energy: 1.1930270197193398
Energy: 1.400826092102502
Energy: 1.4163837956071086
Energy: 1.1930270197155084
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Energy: 1.400826092102502
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Energy: 1.1930270197155084
Energy: 1.127487980484369
Energy: 1.1127083091911265
Energy: 1.253161177378058
Energy: 1.1274879804850075
Energy: 1.112708309191765
Energy: 1.253290021644118
Energy: 1.1274879804869231
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Energy: 1.2057152842453924
Energy: 1.4427407212370549
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Energy: 1.205715284229428
Energy: 1.2177739743994656
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Energy: 1.379330522068152
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Energy: 1.379330522068152
Energy: 1.2134953918096805
Energy: 1.2105455901648463
Energy: 1.33996181866263
Energy: 1.0743488683053206
Energy: 1.2105455901642077
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Energy: 1.0739225982157337
Energy: 1.210545590163569
Energy: 1.3399618186779416
Energy: 1.0743488683046822
Energy: 1.210545590162292
Energy: 1.1998720982656
Energy: 1.246792293508942
Energy: 1.4563538000651541
Energy: 1.1604161069697152
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Energy: 1.4563538000657927
Energy: 1.1998720982656
Energy: 1.2467922935006404
Energy: 1.4563538000657927
Energy: 1.1604161069697152
Energy: 1.2240157028354155
Energy: 1.0899247561640528
Energy: 1.2405894719142962
Energy: 1.155021431089524
Energy: 1.0899247561634142
Energy: 1.2189701557303116
Energy: 1.224015702834777
Energy: 1.089924756162137
Energy: 1.2405894736683374
Energy: 1.155021431089524
Energy: 1.1870307320509617
Energy: 1.1302341546735781
Energy: 1.6247602883710952
Energy: 1.1870307320516003
Energy: 1.1302341546735781
Energy: 1.6247602883710952
Energy: 1.1870307320516003
Energy: 1.1302341546735781
Energy: 1.6247602883704566
Energy: 1.1870307320509617
Energy: 1.129019522335352
Energy: 1.2187251058865565
Energy: 1.32828036090523
Energy: 1.1290195223442925
Energy: 1.2187251058865565
Energy: 1.32828036090523
Energy: 1.1290195223487622
Energy: 1.2187251058865565
Energy: 1.3282803609045915
Energy: 1.1290195223596184
Energy: 1.2349321993161038
Energy: 1.2772102007216068
Energy: 1.4397722121286602
Energy: 1.2349321993161038
Energy: 1.2772101879894475
Energy: 1.4397722121292988
Energy: 1.2349321993161038
Energy: 1.2772102001841525
Energy: 1.4397722121292988
Energy: 1.2349321993167421
Energy: 1.1735200395633008
Energy: 1.1880033033834925
Energy: 1.2201534735498114
Energy: 1.1735200395633008
Energy: 1.1880033033834925
Energy: 1.2201534735498114
Energy: 1.1735200395626622
Energy: 1.188003303384131
Energy: 1.2201534735491728
Energy: 1.1735200395633008

minimum gb energy = 1.0739225982157337 eV
minimum distance =  2.37743943536883 Angstroms
sigma value = 41


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

Energy: 1.1251572465610549
Energy: 1.0454669814380837
Energy: 1.0453372939850114
Energy: 1.1251572465610549
Energy: 1.045466981437836
Energy: 1.0453372939847634
Energy: 1.1251572465610549
Energy: 1.0454669814380837
Energy: 1.0453372939936831
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Energy: 1.078737598034653
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Energy: 1.0588432784415083
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Energy: 0.9867002828532058
Energy: 1.0919899176482486
Energy: 1.123661345835074
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Energy: 1.0559614200647838
Energy: 1.0451306755756098
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Energy: 0.9729700352649999
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Energy: 1.1664106336255928
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Energy: 0.9827962899765005
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Energy: 1.165891983796591
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Energy: 1.165891983796591
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Energy: 1.1450067925349925
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Energy: 1.1450067925352405
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Energy: 1.0504093875447436
Energy: 1.044154987558048
Energy: 1.1540406979167686
Energy: 1.061468144897531
Energy: 1.0441549875897393
Energy: 1.1540406979165205
Energy: 1.061468145430225
Energy: 1.0441549873638905
Energy: 1.1540406979167686
Energy: 1.0614681452090837
Energy: 1.044154987404749
Energy: 1.0544912272570919
Energy: 1.425951474970877
Energy: 0.9474242932539787
Energy: 1.0544912272570919
Energy: 1.425951474970877
Energy: 0.9474242913450638
Energy: 1.0544912271946776
Energy: 1.4259514749711248
Energy: 0.9474242893133027
Energy: 1.0544912271364755
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Energy: 1.1667678189473714
Energy: 1.0430003547068218
Energy: 0.9493254503328566
Energy: 1.1667678189476194
Energy: 1.0430003547063265
Energy: 0.9493254503326087
Energy: 1.1667678189473714
Energy: 1.0430003547068218
Energy: 0.9493254503326087
Energy: 0.9802577800843584
Energy: 0.9724206302619143
Energy: 0.9680205830964005
Energy: 0.9802577800841106
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Energy: 0.9680205830966484
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Energy: 0.9802577800841106
Energy: 1.0912993996156128
Energy: 1.1500993131073165
Energy: 1.0429345690676046
Energy: 1.0912993996148694
Energy: 1.1500993131075643
Energy: 1.0429345690676046
Energy: 1.0912993996151175
Energy: 1.1500993131073165
Energy: 1.0429345690676046
Energy: 1.0912993996148694
Energy: 1.0620457319789898
Energy: 1.0944877460356857
Energy: 1.3103883954774012
Energy: 1.0620457319799808
Energy: 1.0944877463370803
Energy: 1.3103883954769056
Energy: 1.0620457319799808
Energy: 1.0944877458415059
Energy: 1.3103883954769056
Energy: 1.0620457319782466
Energy: 1.0451668162419003
Energy: 1.0469990529618622
Energy: 1.1255732871804942
Energy: 1.0451668162428913
Energy: 1.04699905296211
Energy: 1.125573287180742
Energy: 1.0451668162419003
Energy: 1.04699905296211
Energy: 1.1255732871804942
Energy: 1.0451668162414045
Energy: 1.0896469126036858
Energy: 1.1656843561107588
Energy: 0.9667209521951018
Energy: 1.0896469126007127
Energy: 1.1656843561107588
Energy: 0.9667209521941105
Energy: 1.0896469125977393
Energy: 1.1656843561110066
Energy: 0.9667209521938628
Energy: 1.0896469126007127
Energy: 0.9490789286635883
Energy: 1.0190830765972778
Energy: 1.0055595731325153
Energy: 0.9490789286635883
Energy: 1.019083076552207
Energy: 1.0055595731325153
Energy: 0.9490789286638363
Energy: 1.019083076560113
Energy: 1.0055595731327631
Energy: 0.9490789286638363
Energy: 1.155012384648726
Energy: 0.9497910795915456
Energy: 0.9820846119718882
Energy: 1.1550123846492215
Energy: 0.949791079591298
Energy: 0.9820846119713927
Energy: 1.155012384648726
Energy: 0.9497910795915456
Energy: 0.9820846119741181
Energy: 1.1550123846489735
Energy: 1.169786676885245
Energy: 1.0127739645452818
Energy: 1.031418629261594
Energy: 1.1697866768877225
Energy: 1.0127739645460252
Energy: 1.0314186292625853
Energy: 1.1697866769124765
Energy: 1.0127739645437954
Energy: 1.0314186292705136
Energy: 1.1697866769038274
Energy: 1.1605403745483496
Energy: 1.0533871531354986
Energy: 0.9978219117246758
Energy: 1.1605403745572689
Energy: 1.0533871531335166
Energy: 0.9978219117256668
Energy: 1.160540374594411
Energy: 1.0533871531335166
Energy: 0.9978219117249235
Energy: 1.16054037457932

minimum gb energy = 0.9174831733838731 eV
minimum distance =  2.33032475940698 Angstroms
sigma value = 185


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

Energy: 0.531037508198476
Energy: 0.5757549083047293
Energy: 0.5758453951370401
Energy: 0.4440275536407571
Energy: 0.5757549083047293
Energy: 0.5758453951370401
Energy: 0.531037508198476
Energy: 0.5757549083050233
Energy: 0.5758453951373343
Energy: 0.4440275536407571
Energy: 0.524405983982551
Energy: 0.5986095469200342
Energy: 0.6223939981202498
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Energy: 0.4441545805746115
Energy: 0.6095150577969968
Energy: 0.4799471960554001
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Energy: 0.6095150577969968
Energy: 0.4799471960548119
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Energy: 0.6095150577967027
Energy: 0.4799471960554001
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Energy: 0.571557929586621
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Energy: 0.5549811843238753
Energy: 0.5715579295863269
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Energy: 0.5757239321244894
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Energy: 0.5758087087968587
Energy: 1.1762941766051205
Energy: 0.47577085276029685
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Energy: 1.1762941766051205
Energy: 0.47577085276029685
Energy: 0.575808708797447
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Energy: 0.47577085276029685
Energy: 0.5758087087965648
Energy: 0.6479722645492653
Energy: 0.6011467130251835
Energy: 0.5451594821834425
Energy: 0.6479722645495595
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Energy: 0.5760082444111222
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Energy: 0.5819895583659861
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Energy: 0.4757585055066407
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Energy: 0.5499638134733331
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Energy: 0.5499638134739213
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Energy: 0.44466697420230783
Energy: 0.4853342137901913
Energy: 0.5988132780877674
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Energy: 0.48533421378989716
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Energy: 0.4853342137901913
Energy: 0.5988132780874732
Energy: 0.4446669742017197
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Energy: 0.5988058668419852
Energy: 0.5244241904725827
Energy: 0.5884541360612096
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Energy: 0.5884541360617978
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Energy: 0.4440275536407571
Energy: 0.5757549083044352
Energy: 0.5758453951370401
Energy: 0.4440275536410512
Energy: 0.5757549083053175
Energy: 0.5758453951367462
Energy: 0.4440275536407571
Energy: 0.5757549083053175
Energy: 0.5758453951373343
Energy: 0.4440275536407571
Energy: 0.524405983982551
Energy: 0.5986095469200342
Energy: 0.6223939981176028
Energy: 0.5244059839831392
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Energy: 0.5244059839831392
Energy: 0.44415458057490564
Energy: 0.6095150577964085
Energy: 0.47994719605510605
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Energy: 0.6095150577964085
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Energy: 0.5757239321250776
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Energy: 0.5757239321247836
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Energy: 0.5757239321244894
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Energy: 0.5758087087968587
Energy: 1.1762941766048265
Energy: 0.5145410062599854
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Energy: 1.1762941766048265
Energy: 0.47577085276029685
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Energy: 1.1762941766051205
Energy: 0.5145410062599854
Energy: 0.5758087087965648
Energy: 0.6479722645492653
Energy: 0.6011467130245953
Energy: 0.5451594821834425
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Energy: 0.5451594821834425
Energy: 0.6479722645495595
Energy: 0.6011467130257718
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Energy: 0.6479722645495595
Energy: 0.576008244410828
Energy: 0.5452863446484284
Energy: 0.5819895583659861
Energy: 0.5760082444105339
Energy: 0.5452863446481343
Energy: 0.5819895583656921
Energy: 0.5760082444105339
Energy: 0.5452863446487225
Energy: 0.5819895583656921
Energy: 0.5760082444102398
Energy: 0.6478454508671533
Energy: 0.4757585055066407
Energy: 0.6068486688306937
Energy: 0.6478454508668592
Energy: 0.47575850550693477
Energy: 0.6068486688303995
Energy: 0.647845450866565
Energy: 0.47575850550693477
Energy: 0.6068486688306937
Energy: 0.647845450866565
Energy: 0.49977211413585193
Energy: 0.5499638134736271
Energy: 0.5757979706703593
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Energy: 0.5499638134733331
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Energy: 0.5499638134736271
Energy: 0.5757979706709474
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Energy: 0.44466697420230783
Energy: 0.48533421379048547
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Energy: 1.1762941766051205
Energy: 0.475770852760591
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Energy: 1.1762941766051205
Energy: 0.475770852760591
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Energy: 1.1762941766051205
Energy: 0.4757708527600028
Energy: 0.5758087087968587
Energy: 0.6479722645495595
Energy: 0.6011467130243012
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Energy: 0.6011467130240071
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Energy: 0.6479722645495595
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Energy: 0.5452863446481343
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Energy: 0.5760082444099457
Energy: 0.5452863446484284
Energy: 0.5819895583656921
Energy: 0.5760082444102398
Energy: 0.5452863446484284
Energy: 0.5819895583659861
Energy: 0.5760082444105339
Energy: 0.6478454508671533
Energy: 0.4757585055066407
Energy: 0.6068486688306937
Energy: 0.647845450866565
Energy: 0.5146124176111387
Energy: 0.6068486688303995
Energy: 0.6478454508668592
Energy: 0.4757585055066407
Energy: 0.6068486688306937
Energy: 0.6478454508668592
Energy: 0.49977211413585193
Energy: 0.5499638134733331
Energy: 0.5757979706706534
Energy: 0.49977211413585193
Energy: 0.5499638134733331
Energy: 0.5757979706703593
Energy: 0.4997721141355578
Energy: 0.5499638134733331
Energy: 0.5757979706709474
Energy: 0.4997721141352637
Energy: 0.44466697420230783
Energy: 0.48533421379048547
Energy: 0.5988132780880614
Energy: 0.44466697420230783
Energy: 0.4853342137901913
Energy: 0.5988132780874732
Energy: 0.4446669742017197
Energy: 0.48533421379048547
Energy: 0.5988132780874732
Energy: 0.4446669742020138
Energy: 0.5244241904719945
Energy: 0.5884541360615038
Energy: 0.5988058668422794
Energy: 0.5244241904719945
Energy: 0.5884541360612096
Energy: 0.5988058668419852
Energy: 0.5244241904725827
Energy: 0.5884541360617978
Energy: 0.5988058668416911
Energy: 0.5244241904725827

minimum gb energy = 0.4440275536407571 eV
minimum distance =  2.46796234389437 Angstroms
sigma value = 33


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

Energy: 0.9758798323317602
Energy: 0.990886610526192
Energy: 0.9880380793857719
Energy: 0.957016667279152
Energy: 0.9908866105263535
Energy: 0.9880380793864177
Energy: 0.9758798323322445
Energy: 0.9908866105245775
Energy: 0.9880380793856104
Energy: 0.9570166672788291
Energy: 1.0821173906188275
Energy: 0.9173645654169889
Energy: 0.9513312182800965
Energy: 1.0821173906188275
Energy: 0.9173645654161815
Energy: 0.9513312182799349
Energy: 1.082117390618989
Energy: 0.9173645654169889
Energy: 0.9513312182799349
Energy: 1.0821173906191506
Energy: 0.9923879096324733
Energy: 0.9590296080470759
Energy: 1.0288004763484788
Energy: 0.955685372092833
Energy: 0.9590296080472372
Energy: 1.024964994023857
Energy: 0.9556853719782568
Energy: 0.9590296080473988
Energy: 1.0249649940249874
Energy: 0.9556853720119867
Energy: 1.1211651695308684
Energy: 0.9118849167914718
Energy: 1.0670282779608204
Energy: 1.1211651695310298
Energy: 0.9118849167811386
Energy: 1.0670282779595288
Energy: 1.1211651695316756
Energy: 0.9118849167990604
Energy: 1.067028277961305
Energy: 1.1211651695308684
Energy: 1.0566021534613792
Energy: 0.9418882656522769
Energy: 0.9067344600231898
Energy: 1.0566021534612176
Energy: 0.9418882656524382
Energy: 0.9067344600236743
Energy: 1.0566021534607333
Energy: 0.9418882656519539
Energy: 0.906734460024643
Energy: 1.0566021534607333
Energy: 1.0243943974270868
Energy: 1.0077198341970692
Energy: 1.0048933020945512
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Energy: 1.007719834196585
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Energy: 1.0077198341967462
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Energy: 0.8799570691538466
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Energy: 1.0287581903544571
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Energy: 0.9061216683157917
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Energy: 1.0569385831320883
Energy: 0.9726737801201314
Energy: 0.9510010162542953
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Energy: 1.0762494170424186
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Energy: 0.9901159764668468
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Energy: 0.9901159764670083
Energy: 0.9871429031101241
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Energy: 0.9871429031096397
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Energy: 0.9901159764670083
Energy: 0.9120982599252698
Energy: 1.0396577705510979
Energy: 1.0650086488644184
Energy: 0.9120982599249471
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Energy: 1.0651017103066867
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Energy: 1.0396577705507752
Energy: 1.0650086488645796
Energy: 0.9120982599251084
Energy: 0.9589811324686618
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Energy: 0.9811006734277753
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Energy: 0.9711783102665078
Energy: 0.9811006708023395
Energy: 0.9589811324688231
Energy: 0.9121090871638559
Energy: 1.0172722378344228
Energy: 0.9665197128424238
Energy: 0.9121090871638559
Energy: 1.0172722378336154
Energy: 0.966519712842908
Energy: 0.9121090871645017
Energy: 1.0172722378337768
Energy: 0.9665197128425853
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Energy: 0.9840729408848254
Energy: 0.9545901141505241
Energy: 0.9862790828066982
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Energy: 0.9862790828063752
Energy: 0.9840729408848254
Energy: 0.9545901141505241
Energy: 0.9862790828060524
Energy: 0.9840729408838568
Energy: 0.9499125979738114
Energy: 1.0073060925036368
Energy: 0.8997237345950216
Energy: 0.9499125979742958
Energy: 1.0073060925036368
Energy: 0.8997237345946989
Energy: 0.9499125979738114
Energy: 1.0073060925037982
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Energy: 0.949912597973973
Energy: 0.9702571398005102
Energy: 1.0578527609982877
Energy: 0.9360783460135437
Energy: 0.9702571397367635
Energy: 1.0578527609802193
Energy: 0.9360783460135437
Energy: 0.9702571397267533
Energy: 1.057852760966657
Energy: 0.9360783460135437
Energy: 0.9702571396914087
Energy: 1.064264402635281
Energy: 1.0400985442341268
Energy: 0.9099211057578327
Energy: 1.064264402635281
Energy: 1.0400985442339654
Energy: 0.9099211057449161
Energy: 1.0642644026354424
Energy: 1.0400985442342883
Energy: 0.9099211057462078
Energy: 1.0642644026354424
Energy: 0.9167341287917733
Energy: 1.1186373757208852
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Energy: 0.9431473910453018
Energy: 1.0307624440981602
Energy: 1.022620363325456
Energy: 0.9431473910461091

minimum gb energy = 0.8736350917055767 eV
minimum distance =  2.32442911607429 Angstroms
sigma value = 219


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

Energy: 1.1200615493314634
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Energy: 1.3060972963796602
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Energy: 1.2503696929797379
Energy: 1.2527797518311068
Energy: 1.160858438819495
Energy: 1.250369692979835
Energy: 1.252779751806858

minimum gb energy = 1.0891071078626002 eV
minimum distance =  2.337448991772 Angstroms
sigma value = 15


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

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minimum gb energy = 1.1792953878182644 eV
minimum distance =  2.32041062606848 Angstroms
sigma value = 293


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

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Energy: 1.3607381649897425
Energy: 1.2675084512294583
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Energy: 1.3607381650085688
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Energy: 1.3392373103832975
Energy: 1.3333060546681148
Energy: 1.4307626839073966
Energy: 1.4307880634115417
Energy: 1.3333060546678737
Energy: 1.4307626839095686
Energy: 1.4307880634117829
Energy: 1.3333060546681148
Energy: 1.4307626839093275
Energy: 1.4307880634122658
Energy: 1.3333060546678737
Energy: 1.339347591530388
Energy: 1.266833711184281
Energy: 1.360732517018
Energy: 1.3393475915311124
Energy: 1.2668337111845223
Energy: 1.3607325170175173
Energy: 1.3393475915311124
Energy: 1.2668337111845223
Energy: 1.3607325170182416
Energy: 1.3393475915313535
Energy: 1.2715788504420724
Energy: 1.3067166842956746
Energy: 1.2740463057631064
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Energy: 1.3067166842956746
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Energy: 1.2740463057633478
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Energy: 1.3005676883464625
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Energy: 1.266760836779334
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Energy: 1.266760836779334
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Energy: 1.4403763662907598
Energy: 1.266760836779334
Energy: 1.3076549565222357
Energy: 1.4403763662907598
Energy: 1.4047571531279819
Energy: 1.4068670926153446
Energy: 1.2647759393965248
Energy: 1.4047571531330505
Energy: 1.4068670926160687
Energy: 1.2647759393962834
Energy: 1.4047571531443834
Energy: 1.4068670926165512
Energy: 1.264775939396042
Energy: 1.4047571531422223
Energy: 1.2682438101838676
Energy: 1.439497930164277
Energy: 1.4990091155505263
Energy: 1.2682438101838676
Energy: 1.4394979301640356
Energy: 1.4990091155517333
Energy: 1.2682438101838676
Energy: 1.439497930164277
Energy: 1.4990091155452165
Energy: 1.2682438101838676
Energy: 1.376527037362278
Energy: 1.2655105940836964
Energy: 1.2653711368399767
Energy: 1.376527037355037
Energy: 1.265510594084179
Energy: 1.2653711368305638
Energy: 1.3765270373502099
Energy: 1.265510594084179
Energy: 1.2653711368380458
Energy: 1.3765270373639675
Energy: 1.2666922294675895
Energy: 1.4972872184807295
Energy: 1.4397596156903512
Energy: 1.2666922294673482
Energy: 1.4972872184807295
Energy: 1.4397596156903512
Energy: 1.2666922294675895
Energy: 1.497287218479523
Energy: 1.4397596156903512
Energy: 1.2666922294675895
Energy: 1.4042420506066997
Energy: 1.2645296147077958
Energy: 1.4046778905533044
Energy: 1.4042420506066997
Energy: 1.2645296147077958
Energy: 1.4046778905646373
Energy: 1.4042420506066997
Energy: 1.2645296147080374
Energy: 1.4046778905639132
Energy: 1.4042420506066997
Energy: 1.4397582683381078
Energy: 1.3075800933482538
Energy: 1.2667163393703014
Energy: 1.4397582685528207
Energy: 1.3075800933482538
Energy: 1.2667163393705425
Energy: 1.439758268782257
Energy: 1.3075800933480122
Energy: 1.2667163393712666
Energy: 1.4397582687619936
Energy: 1.300639661622309
Energy: 1.5241152124640425
Energy: 1.3067628149159827
Energy: 1.3006396623576495
Energy: 1.5241152124640425
Energy: 1.3067628149159827
Energy: 1.3006396619506593
Energy: 1.5241152124640425
Energy: 1.3067628149159827
Energy: 1.3006396621721306

minimum gb energy = 1.2645296147077958 eV
minimum distance =  2.32649952150223 Angstroms
sigma value = 293


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

Energy: 1.2304022413209872
Energy: 1.4396359720299787
Energy: 1.439744003648515
Energy: 1.2304022413209872
Energy: 1.4396359720295424
Energy: 1.4397440036480786
Energy: 1.2304022413209872
Energy: 1.4396359720295424
Energy: 1.4397440036480786
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Energy: 1.4399267570449532
Energy: 1.22970757988251
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Energy: 1.2297075798829462
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Energy: 1.4393863876998845
Energy: 1.2377563038854373
Energy: 1.3120233951392273
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Energy: 1.2377563038850012
Energy: 1.3117821069078992
Energy: 1.439386387699012
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Energy: 1.3119094324667293
Energy: 1.4393863876994482
Energy: 1.3120099118095812
Energy: 1.2379095851489688
Energy: 1.4395915349521506
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Energy: 1.4395915349525867
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Energy: 1.4400756535547878
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Energy: 1.439744003648515
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Energy: 1.4396359720299787
Energy: 1.22970757988251
Energy: 1.44104977180358
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Energy: 1.4410497718031439
Energy: 1.4399267570449532
Energy: 1.22970757988251
Energy: 1.44104977180358
Energy: 1.4399267570449532
Energy: 1.2297075798829462
Energy: 1.2377563038858737
Energy: 1.3120395088299246
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Energy: 1.2377563038854373
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Energy: 1.2377563038850012
Energy: 1.3118001027582944
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Energy: 1.4395915349525867
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Energy: 1.4395915349525867
Energy: 1.3117663551475298
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Energy: 1.230782306469545
Energy: 1.440075653555224
Energy: 1.4411654555194184
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Energy: 1.4400756535547878
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Energy: 1.440075653555224
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Energy: 1.439744003648515
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Energy: 1.2304022413209872
Energy: 1.4396359720295424
Energy: 1.4397440036480786
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Energy: 1.4396359720295424
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Energy: 1.22970757988251
Energy: 1.44104977180358
Energy: 1.4399267570449532
Energy: 1.2297075798829462
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Energy: 1.4399267570449532
Energy: 1.22970757988251
Energy: 1.4410497718031439
Energy: 1.3118931148177502
Energy: 1.4393863876994482
Energy: 1.2377563038854373
Energy: 1.3117844698174135
Energy: 1.4393863876994482
Energy: 1.2377563038854373
Energy: 1.3117669292380896
Energy: 1.4393863876994482
Energy: 1.2377563038854373
Energy: 1.3117582075399874
Energy: 1.4395915349521506
Energy: 1.3118640883712884
Energy: 1.237909585149405
Energy: 1.4395915349521506
Energy: 1.311876542413434
Energy: 1.2379095851489688
Energy: 1.4395915349521506
Energy: 1.311889944264842
Energy: 1.2379095851489688
Energy: 1.4395915349525867
Energy: 1.4400756535547878
Energy: 1.4411654555194184
Energy: 1.230782306469545
Energy: 1.440075653555224
Energy: 1.4411654555194184
Energy: 1.230782306469545
Energy: 1.4400756535547878
Energy: 1.4411654555194184
Energy: 1.230782306469545
Energy: 1.440075653555224
Energy: 1.2304022413209872
Energy: 1.4396359720295424
Energy: 1.439744003648515
Energy: 1.2304022413209872
Energy: 1.4396359720295424
Energy: 1.4397440036480786
Energy: 1.2304022413209872
Energy: 1.4396359720299787
Energy: 1.4397440036480786
Energy: 1.2304022413209872
Energy: 1.4399267570449532
Energy: 1.2297075798829462
Energy: 1.4410497718031439
Energy: 1.4399267570449532
Energy: 1.22970757988251
Energy: 1.4410497718031439
Energy: 1.4399267570449532
Energy: 1.2297075798829462
Energy: 1.4410497718031439
Energy: 1.4399267570449532
Energy: 1.4393863876994482
Energy: 1.2377563038858737
Energy: 1.3118906454696981
Energy: 1.4393863876994482
Energy: 1.2377563038854373
Energy: 1.3119067640013335
Energy: 1.4393863876994482
Energy: 1.2377563038850012
Energy: 1.3117961601547348
Energy: 1.4393863876994482
Energy: 1.311835839775688
Energy: 1.2379095851489688
Energy: 1.4395915349525867
Energy: 1.311960453694063
Energy: 1.237909585149405
Energy: 1.4395915349525867
Energy: 1.3118061053940788
Energy: 1.2379095851489688
Energy: 1.4395915349525867
Energy: 1.311669978720089
Energy: 1.4411654555194184
Energy: 1.230782306469545
Energy: 1.440075653555224
Energy: 1.4411654555194184
Energy: 1.230782306469545
Energy: 1.440075653555224
Energy: 1.4411654555194184
Energy: 1.230782306469545
Energy: 1.4400756535547878
Energy: 1.4411654555194184
Energy: 1.4396359720295424
Energy: 1.4397440036480786
Energy: 1.2304022413209872
Energy: 1.4396359720295424
Energy: 1.439744003648515
Energy: 1.2304022413209872
Energy: 1.4396359720299787
Energy: 1.4397440036480786
Energy: 1.2304022413209872
Energy: 1.4396359720299787
Energy: 1.22970757988251
Energy: 1.44104977180358
Energy: 1.4399267570449532
Energy: 1.22970757988251
Energy: 1.44104977180358
Energy: 1.4399267570449532
Energy: 1.22970757988251
Energy: 1.44104977180358
Energy: 1.4399267570449532
Energy: 1.22970757988251

minimum gb energy = 1.22970757988251 eV
minimum distance =  2.3599587882738 Angstroms
sigma value = 15


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

Energy: 1.3103994529740894
Energy: 1.631324056178234
Energy: 1.4154507932665996
Energy: 1.3103994529731007
Energy: 1.6313240554919703
Energy: 1.4154507932658087
Energy: 1.3103994529740894
Energy: 1.6313240556392181
Energy: 1.4154507932658087
Energy: 1.3103994529731007
Energy: 1.465651924076625
Energy: 1.1976234946824502
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Energy: 1.4656519240764274
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Energy: 1.4656519240764274
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Energy: 1.281381301179427
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Energy: 1.1991595235063621
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Energy: 1.2952713077502676
Energy: 1.2017302011682605
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Energy: 1.1968734475817797
Energy: 1.2841302546568816
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Energy: 1.2841302545997513
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Energy: 1.5259707080710465
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Energy: 1.3974754072375388
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Energy: 1.3955561607097553
Energy: 1.3974754072375388
Energy: 1.5259707080698601
Energy: 1.1840706500443503
Energy: 1.1955275892402542
Energy: 1.2166767289748208
Energy: 1.1840706500435592
Energy: 1.1955275892414408
Energy: 1.2166767289752165
Energy: 1.1840706500443503
Energy: 1.1955275892402542
Energy: 1.2166767289748208
Energy: 1.1840706500437572
Energy: 1.2651163865272124
Energy: 1.1880811801829967
Energy: 1.307096484605601
Energy: 1.265116386525235
Energy: 1.1880811801826014
Energy: 1.3070964846052056
Energy: 1.2651163865214778
Energy: 1.1880811801829967
Energy: 1.3070964846054032
Energy: 1.2651163865210822
Energy: 1.38648604774836
Energy: 1.300129372089871
Energy: 1.2334327673951604
Energy: 1.3864860477465801
Energy: 1.3001293720886844
Energy: 1.2334327673939738
Energy: 1.3864860477473713
Energy: 1.3001293720890799
Energy: 1.2334327673951604
Energy: 1.3864860477533036
Energy: 1.228705013529483
Energy: 1.3955986518300854
Energy: 1.3046675597494213
Energy: 1.2287050135302742
Energy: 1.395598651829492
Energy: 1.3046675597508055
Energy: 1.2287050135292854
Energy: 1.3955986518316672
Energy: 1.304667559748235
Energy: 1.2287050135308673
Energy: 1.309605777710458
Energy: 1.308833180604624
Energy: 1.426891657597315
Energy: 1.3096057777106558
Energy: 1.3088331806060083
Energy: 1.4268916575963262
Energy: 1.3096057777108536
Energy: 1.3088331806026468
Energy: 1.4268916575971171
Energy: 1.3096057777138197
Energy: 1.309916865928327
Energy: 1.4511113094100128
Energy: 1.2955856858091002
Energy: 1.309916865928327
Energy: 1.4511113094084307
Energy: 1.2955856858094958
Energy: 1.3099168659277338
Energy: 1.4511113094115944
Energy: 1.2955856858092982
Energy: 1.309916865927536
Energy: 1.1778904172308535
Energy: 1.5425843462953897
Energy: 1.4228325242849968
Energy: 1.1778904172308535
Energy: 1.5425843462942033
Energy: 1.4228325242847992
Energy: 1.177890417230656
Energy: 1.5425843462940054
Energy: 1.4228325242855902
Energy: 1.1778904172308535
Energy: 1.4952454854129864
Energy: 1.2339958040008248
Energy: 1.4602874496177523
Energy: 1.4952454854135797
Energy: 1.2339958040002317
Energy: 1.4602874496130063
Energy: 1.4952454854129864
Energy: 1.2339958040008248
Energy: 1.4602874496137972
Energy: 1.4952454854133816
Energy: 1.4113455204867125
Energy: 1.2985722921494638
Energy: 1.1889346016458178
Energy: 1.4113455204930403
Energy: 1.298572292149859
Energy: 1.1889346016456204
Energy: 1.4113455205068823
Energy: 1.2985722921494638
Energy: 1.1889346016458178
Energy: 1.4113455205098486
Energy: 1.3499474238004525
Energy: 1.3548959442713513
Energy: 1.187552982327641
Energy: 1.3499474238028077
Energy: 1.3548959442705604
Energy: 1.187552982327641
Energy: 1.3499474238018188
Energy: 1.3548959442713513
Energy: 1.187552982327641
Energy: 1.3499474238016214
Energy: 1.353038134671608
Energy: 1.3121905135133187
Energy: 1.2384509778687183
Energy: 1.3530381346722014
Energy: 1.312190513511539
Energy: 1.2384509778685202
Energy: 1.353038134671608
Energy: 1.3121905135103524
Energy: 1.2384509778677475
Energy: 1.3530381346720037
Energy: 1.4698430177028137
Energy: 1.3250931425246442
Energy: 1.2435881313069146
Energy: 1.4698430176889714
Energy: 1.3250931425258305
Energy: 1.2435881313071127
Energy: 1.4698430176951016
Energy: 1.3250931425246442
Energy: 1.243588131306717
Energy: 1.469843017681655
Energy: 1.207429910319728
Energy: 1.3289505514794853
Energy: 1.3060620654003465
Energy: 1.207429910319728
Energy: 1.3289505514788922
Energy: 1.3060620653995558
Energy: 1.207429910319728
Energy: 1.3289505514779032
Energy: 1.3060620654213075
Energy: 1.207429910319728
Energy: 1.3228649556820855
Energy: 1.2857923266545819
Energy: 1.2954292600845743
Energy: 1.3228649556824807
Energy: 1.2857923266543838
Energy: 1.2954292534676088
Energy: 1.3228649556814922
Energy: 1.2857923266545819
Energy: 1.295429231693144
Energy: 1.3228649556822831
Energy: 1.511548856450534
Energy: 1.1968987565447473
Energy: 1.4311379583838177
Energy: 1.511548856447963
Energy: 1.196898756544945
Energy: 1.4311379583832244
Energy: 1.51154885644737
Energy: 1.196898756544945
Energy: 1.4311379583836201
Energy: 1.5115488564523136
Energy: 1.2818501590084337
Energy: 1.4937494031374339
Energy: 1.2966437195748268
Energy: 1.2818501590084337
Energy: 1.49374940313249
Energy: 1.29664371957542
Energy: 1.2818501590086318
Energy: 1.4937494031307104
Energy: 1.2966437195746288
Energy: 1.2818501590086318
Energy: 1.445100896527444
Energy: 1.193805886360887
Energy: 1.4936508605939274
Energy: 1.4451008965270484
Energy: 1.1938058863606893
Energy: 1.4936508605897747
Energy: 1.4451008965272463
Energy: 1.193805886360887
Energy: 1.4936508605939274
Energy: 1.4451008965268506
Energy: 1.2727592296838357
Energy: 1.2134604796836606
Energy: 1.3238593781051866
Energy: 1.2727592294922931
Energy: 1.2134604796838584
Energy: 1.3238593781049885
Energy: 1.2727592294755028
Energy: 1.213460479683463
Energy: 1.3238593781051866
Energy: 1.272759229833852
Energy: 1.380090781704298
Energy: 1.258253684663726
Energy: 1.2324061482032247
Energy: 1.3800907817044956
Energy: 1.2582536846641215
Energy: 1.2324061482024335
Energy: 1.3800907817041002
Energy: 1.2582536846635284
Energy: 1.2324061482032247
Energy: 1.380090781704298
Energy: 1.2290218288194568
Energy: 1.2760418375671845
Energy: 1.4253477779678596
Energy: 1.2290218288194568
Energy: 1.2760418375669864
Energy: 1.4253477774502004
Energy: 1.2290218288194568
Energy: 1.2760418375683709
Energy: 1.4253477808775634
Energy: 1.2290218288194568
Energy: 1.3135395137674706
Energy: 1.293567751704382
Energy: 1.3532581473088183
Energy: 1.3135395137550128
Energy: 1.2935677517051727
Energy: 1.3532581473084229
Energy: 1.3135395137607473
Energy: 1.293567751704184
Energy: 1.353258147309016
Energy: 1.3135395137512555

minimum gb energy = 1.177890417230656 eV
minimum distance =  2.29633889375416 Angstroms
sigma value = 437


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

Energy: 1.1792260786720965
Energy: 1.2076743515139112
Energy: 1.2113769081025163
Energy: 1.179226078671376
Energy: 1.2076743849617664
Energy: 1.2113769080470604
Energy: 1.1792260786720965
Energy: 1.2076743732356827
Energy: 1.2113769083617525
Energy: 1.179226078671376
Energy: 1.4289940479182957
Energy: 1.1318861058629854
Energy: 1.2907107496148316
Energy: 1.4289940479182957
Energy: 1.1318861058629854
Energy: 1.2907107496148316
Energy: 1.4289940479197363
Energy: 1.1318861058629854
Energy: 1.2907107496155519
Energy: 1.4289940479175751
Energy: 1.2836352790381722
Energy: 1.1182648661765495
Energy: 1.3294807810640343
Energy: 1.283635279037452
Energy: 1.1182648661758292
Energy: 1.3294807810654752
Energy: 1.2836352790381722
Energy: 1.1182648661765495
Energy: 1.3294807810647549
Energy: 1.283635279037452
Energy: 1.2350464797969283
Energy: 1.348894846702854
Energy: 1.3795442248927143
Energy: 1.2350464814171487
Energy: 1.3488948493009767
Energy: 1.3795442248927143
Energy: 1.235046479053784
Energy: 1.3488948483273973
Energy: 1.3795442248927143
Energy: 1.2350464796917964
Energy: 1.287784014489444
Energy: 1.2389618905654303
Energy: 1.582972969679608
Energy: 1.2877834518427547
Energy: 1.2389618905654303
Energy: 1.5829729696961776
Energy: 1.2877824128049011
Energy: 1.2389618905647097
Energy: 1.5829729696752854
Energy: 1.2877820152997934
Energy: 1.2832111708985565
Energy: 1.2958779774773583
Energy: 1.1454785815965265
Energy: 1.283211170899277
Energy: 1.295877766676489
Energy: 1.1454785815965265
Energy: 1.2832111708985565
Energy: 1.2958776104986784
Energy: 1.1454785815965265
Energy: 1.283211170902142
Energy: 1.3259882847559725
Energy: 1.1875666216918557
Energy: 1.1213051523683668
Energy: 1.3259882846508406
Energy: 1.187566621369976
Energy: 1.1213051523676463
Energy: 1.3259882846306688
Energy: 1.187566623967362
Energy: 1.1213051523683668
Energy: 1.3259882846717164
Energy: 1.3320665976574368
Energy: 1.301504914133789
Energy: 1.3396024931690562
Energy: 1.3320665976574368
Energy: 1.3015049135505123
Energy: 1.3396024931697765
Energy: 1.3320665976581572
Energy: 1.3015049134936318
Energy: 1.3396024931690562
Energy: 1.3320665976567163
Energy: 1.7328331695818084
Energy: 1.2956222572813187
Energy: 1.1619663111590701
Energy: 1.7328331687112157
Energy: 1.2956222572813187
Energy: 1.1619663111648337
Energy: 1.7328331663507328
Energy: 1.295622257282039
Energy: 1.1619663111648337
Energy: 1.7328331665761256
Energy: 1.2462295933653962
Energy: 1.292285727624395
Energy: 1.283251905285313
Energy: 1.2462295933639556
Energy: 1.2922857276236746
Energy: 1.2832519084314118
Energy: 1.2462295933610739
Energy: 1.2922857276236746
Energy: 1.2832519032906389
Energy: 1.24622959337188
Energy: 1.167368721738023
Energy: 1.12828216202807
Energy: 1.285469626601836
Energy: 1.167368721738023
Energy: 1.12828216202807
Energy: 1.285469626601836
Energy: 1.1673687217387436
Energy: 1.1812604643493798
Energy: 1.2854696265996743
Energy: 1.167368721738023
Energy: 1.3291726718244112
Energy: 1.1369082794019276
Energy: 1.3255349622995996
Energy: 1.3291726718006374
Energy: 1.1369082794033682
Energy: 1.3255349623039057
Energy: 1.3291726720001116
Energy: 1.136908279402648
Energy: 1.3255349623053465
Energy: 1.3291726723313566
Energy: 1.167859457353498
Energy: 1.3608619547029666
Energy: 1.1536659913974179
Energy: 1.167859457350616
Energy: 1.360861954701526
Energy: 1.1536659915277645
Energy: 1.167859457347014
Energy: 1.360861954705128
Energy: 1.1536659915399952
Energy: 1.1678594573340466
Energy: 1.3766242128048514
Energy: 1.205054532189296
Energy: 1.346087484259737
Energy: 1.3766242128062922
Energy: 1.2050545321907369
Energy: 1.346087405362154
Energy: 1.3766242128012656
Energy: 1.205054532189296
Energy: 1.3460874518733037
Energy: 1.3766242127991044

minimum gb energy = 1.1182648661758292 eV
minimum distance =  2.32417908659035 Angstroms
sigma value = 33