Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000005543232
cohesive_energy=4.4278017536966265
mass=58.6934
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: -0.022546436667 eV

========================================
theta = 0.0
========================================

Energy: 0.020433434703465692
Energy: 0.5083411456370536
Energy: 0.5083411456370536
Energy: 0.020433434701941103
Energy: 0.5083411456370536
Energy: 0.5083411456370536
Energy: 0.020433434701941103
Energy: 0.5083411456370536
Energy: 0.5083411456370536
Energy: 0.020433434701941103
Energy: 0.5054023916611137
Energy: 0.02444795871463033
Energy: 0.5061732057502764
Energy: 0.5054023916595891
Energy: 0.02444795871463033
Energy: 0.5061732057502764
Energy: 0.5054023916611137
Energy: 0.02444795871463033
Energy: 0.5061732057502764
Energy: 0.5054023916595891
Energy: 1.4717962175709913
Energy: 0.9390618055490063
Energy: 0.26008097561179744
Energy: 1.0339844887284677
Energy: 0.9390618055474819
Energy: 0.02089721438233347
Energy: 1.8220183066014919
Energy: 0.29328220849791437
Energy: 0.02089721438233347
Energy: 1.209750626983839
Energy: 0.5054023916580646
Energy: 0.5061732057472272
Energy: 0.02444795871463033
Energy: 0.5054023916580646
Energy: 0.5061732057457373
Energy: 0.02444795871463033
Energy: 0.5054023916580646
Energy: 0.5061732057472272
Energy: 0.02444795871463033
Energy: 0.5054023916580646
Energy: 0.020433434703465692
Energy: 0.5083411456355288
Energy: 0.5083411456355288
Energy: 0.020433434703465692
Energy: 0.5083411456355288
Energy: 0.5083411456355288
Energy: 0.020433434703465692
Energy: 0.5083411456355288
Energy: 0.5083411456355288
Energy: 0.020433434703465692
Energy: 0.5054023916580646
Energy: 0.02444795871463033
Energy: 0.5061732057472272
Energy: 0.5054023916580646
Energy: 0.02444795871463033
Energy: 0.5061732057472272
Energy: 0.5054023916580646
Energy: 0.02444795871463033
Energy: 0.5061732057457373
Energy: 0.5054023916580646
Energy: 1.2097506137608771
Energy: 0.2932822084994389
Energy: 0.02089721438233347
Energy: 1.2097506188781575
Energy: 0.2932822084994389
Energy: 0.02089721438080888
Energy: 1.2097506247863876
Energy: 0.2932822084994389
Energy: 0.02089721438233347
Energy: 1.209750609925186

minimum gb energy = 0.020433434701941103 eV
minimum distance =  2.21018105994606 Angstroms
sigma value = 3


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

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Energy: 1.515750264304115
Energy: 1.5180216824404384
Energy: 1.1813593645539253
Energy: 1.515750264304115
Energy: 1.5180216824404384
Energy: 1.2178173469626714
Energy: 1.5157502642966463
Energy: 1.5180216824441053
Energy: 1.1813593645539253
Energy: 1.2428139661196562
Energy: 1.15748045722796
Energy: 1.4613085913518196
Energy: 1.2428139661271251
Energy: 1.1574804572316266
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Energy: 1.1574804572316266
Energy: 1.4613085913518196
Energy: 1.2428139661196562
Energy: 1.2314216685682529
Energy: 1.5243498277231582
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Energy: 1.5243498277156893
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Energy: 1.3052124251668356
Energy: 1.4493541265865715
Energy: 1.5266560919861516
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Energy: 1.526656092180208
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Energy: 1.5266560920196939
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Energy: 1.0503297527801174
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Energy: 1.402558334051875
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Energy: 1.4879088095326896
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Energy: 1.3616241172155996
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Energy: 1.361624117219334
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Energy: 1.0505671372619174
Energy: 1.411304245344931
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Energy: 1.050567137273121
Energy: 1.411354863988268
Energy: 1.4028091779770464
Energy: 1.050567137273121
Energy: 1.411304245344931
Energy: 1.4037629267251437
Energy: 1.0505671372693863
Energy: 1.4600380659868655
Energy: 1.110424157848871
Energy: 1.4865174518214228
Energy: 1.4600380659868655
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Energy: 1.4865174518176882
Energy: 1.4600380659868655
Energy: 1.3479681897502285
Energy: 1.5193379594826906
Energy: 1.314440027397761
Energy: 1.347968189746494
Energy: 1.519337959478956
Energy: 1.3144400274014953
Energy: 1.3479681897502285
Energy: 1.5193379594826906
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Energy: 1.3479681897502285
Energy: 1.22800829861325
Energy: 1.5074250777077558
Energy: 1.1578744035276776
Energy: 1.2280082986244536
Energy: 1.5074250777077558
Energy: 1.1578762924503359
Energy: 1.228008298620719
Energy: 1.5074250777040212
Energy: 1.1578744035239432
Energy: 1.2280082986095158
Energy: 1.1095795439508844
Energy: 1.515750264304115
Energy: 1.5180216824404384
Energy: 1.1095795439508844
Energy: 1.5157502642966463
Energy: 1.5180216824404384
Energy: 1.1095795439508844
Energy: 1.5157502642929117
Energy: 1.5180216824441053
Energy: 1.1095795439508844
Energy: 1.2428139661196562
Energy: 1.15748045722796
Energy: 1.461308591355554
Energy: 1.2428139661271251
Energy: 1.1574804572316266
Energy: 1.4613085913518196
Energy: 1.2428139661233908
Energy: 1.15748045722796
Energy: 1.4613085913443506
Energy: 1.2428139661196562
Energy: 1.3246807458459213
Energy: 1.5243498277268925
Energy: 1.4349165657678484
Energy: 1.3488172108927858
Energy: 1.5243498277268925
Energy: 1.4349165658237975
Energy: 1.3246807458459213
Energy: 1.5243498277156893
Energy: 1.4349165662269836
Energy: 1.3488172109001868
Energy: 1.4493541265865715
Energy: 1.5266560919562762
Energy: 1.1104268667755524
Energy: 1.4493541265791026
Energy: 1.5266560921988803
Energy: 1.1104268667755524
Energy: 1.4493541265865715
Energy: 1.5266560920085586
Energy: 1.1104268667643489
Energy: 1.4493541265865715

minimum gb energy = 1.0503297527801174 eV
minimum distance =  2.28570747089111 Angstroms
sigma value = 75


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

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Energy: 1.2093182354888496
Energy: 1.2093642261556559
Energy: 1.2728063912424137
Energy: 1.2093182354870275
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Energy: 1.3809421179418975
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minimum gb energy = 1.2083054528344366 eV
minimum distance =  2.16974591482114 Angstroms
sigma value = 105


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

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Energy: 1.3976822065518204
Energy: 1.4142574209978218
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Energy: 1.4505276018372055
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Energy: 1.3605999182496094
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Energy: 1.3857638348508943
Energy: 1.459074003898693
Energy: 1.4042100010313618
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Energy: 1.3305279458243608
Energy: 1.4625646451582262
Energy: 1.4816067682878982
Energy: 1.3305279458243608
Energy: 1.4625646451623375
Energy: 1.4816067682920098
Energy: 1.3305279458223052
Energy: 1.462564645166449
Energy: 1.4816067682899539
Energy: 1.3305279458243608
Energy: 1.4078501208934322
Energy: 1.3839464511139796
Energy: 1.3861365331763194
Energy: 1.407850120895488
Energy: 1.3839505059372457
Energy: 1.3861365331701523
Energy: 1.4078501208913765
Energy: 1.3839464511222024
Energy: 1.386136533172208
Energy: 1.4078501208893206
Energy: 1.4131967912532024
Energy: 1.3843949218746867
Energy: 1.534967551033173
Energy: 1.4131967912511467
Energy: 1.3844112164221931
Energy: 1.5349675510413585
Energy: 1.4131967912532024
Energy: 1.3843949218746867
Energy: 1.5349675510413585
Energy: 1.4131967912572763
Energy: 1.4331568735784694
Energy: 1.413602444988593
Energy: 1.374187399760961
Energy: 1.4331568735784694
Energy: 1.4136024449947606
Energy: 1.3741873997630167
Energy: 1.433156873572302
Energy: 1.413602444988593
Energy: 1.3741873997630167
Energy: 1.4331568735743578
Energy: 1.353552556033751
Energy: 1.4278062618848504
Energy: 1.37777971761394
Energy: 1.3535525560316952
Energy: 1.4276090568458195
Energy: 1.3777797176098285
Energy: 1.3535525560316952
Energy: 1.4278062618848504
Energy: 1.3777797176118842
Energy: 1.353552556033751
Energy: 1.3917304261791366
Energy: 1.3797854412277042
Energy: 1.4656940805593757
Energy: 1.3917304261770806
Energy: 1.3796875451555963
Energy: 1.4656940805593757
Energy: 1.3917304261791366
Energy: 1.3797854412297599
Energy: 1.465694080555264
Energy: 1.391730426181155
Energy: 1.4623861526852966
Energy: 1.3248765483496474
Energy: 1.4537422826406916
Energy: 1.4623861526832407
Energy: 1.3248760536773128
Energy: 1.4537422826447657
Energy: 1.462386152681185
Energy: 1.3248765483578702
Energy: 1.4537422826406916
Energy: 1.4623861526852966

minimum gb energy = 1.3140354449485097 eV
minimum distance =  2.16695656692522 Angstroms
sigma value = 165


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

Energy: 1.3312558932065888
Energy: 1.3816884903840991
Energy: 1.38163553573191
Energy: 1.2768639336717895
Energy: 1.3816884903812763
Energy: 1.38163553573191
Energy: 1.3312558932072944
Energy: 1.381688490384805
Energy: 1.3816355357354386
Energy: 1.2768639336717895
Energy: 1.3503218893061575
Energy: 1.2739450793664433
Energy: 1.3740504427283906
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Energy: 1.374050442726979
Energy: 1.350321889301217
Energy: 1.3112752089681414
Energy: 1.296546082424823
Energy: 1.2790605981991006
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Energy: 1.273536776134037
Energy: 1.4057017435353245
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Energy: 1.3148742741555686
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Energy: 1.4373633607805727
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Energy: 1.3843565727868399
Energy: 1.3604320130278487
Energy: 1.4825083147878826
Energy: 1.5552958196313302
Energy: 1.306416060476516
Energy: 1.482508314787177
Energy: 1.5552958196341535
Energy: 1.3604320130250256
Energy: 1.48250831479
Energy: 1.5552958196320361
Energy: 1.3064160604751045
Energy: 1.3832893045261276
Energy: 1.3024151401071857
Energy: 1.434598013933658
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Energy: 1.3024151401071857
Energy: 1.3450050587484987
Energy: 1.3832893045190702
Energy: 1.3024151401114201
Energy: 1.4345980139329522
Energy: 1.3025020254238922
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Energy: 1.2923799396191011
Energy: 1.2906792188837952
Energy: 1.4822564464829522
Energy: 1.292379939621924
Energy: 1.2906792188837952
Energy: 1.4822564464850694
Energy: 1.292379939626864
Energy: 1.2906792188845013
Energy: 1.4822564464815406
Energy: 1.363179204071163
Energy: 1.3004518115859705
Energy: 1.4110439448479617
Energy: 1.3631792040782202
Energy: 1.3004518115866763
Energy: 1.4110439456260802
Energy: 1.3631792040796318
Energy: 1.3004518115894994
Energy: 1.4110439453636061
Energy: 1.3631792040824549
Energy: 1.435058031008881
Energy: 1.4334025856183699
Energy: 1.2737763296285318
Energy: 1.4350580310117038
Energy: 1.4334025856162527
Energy: 1.2737763296327664
Energy: 1.4350580310131156
Energy: 1.4334025856141355
Energy: 1.273776329633472
Energy: 1.435058031008881
Energy: 1.2768639336710836
Energy: 1.3816884903833935
Energy: 1.38163553573685
Energy: 1.2768639336703778
Energy: 1.381688490381982
Energy: 1.3816355357347325
Energy: 1.2768639336710836
Energy: 1.3816884903833935
Energy: 1.3816355357389671
Energy: 1.2768639336703778

minimum gb energy = 1.2734841429311707 eV
minimum distance =  2.27599127156813 Angstroms
sigma value = 41


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

Energy: 1.4341835382162673
Energy: 1.2165526736320749
Energy: 1.2123532738097331
Energy: 1.3151555975972713
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Energy: 1.2123532738097331
Energy: 1.4341835382162673
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Energy: 1.1774007495474668
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Energy: 1.203475695277847
Energy: 1.11870620525045
Energy: 1.1775759485366957
Energy: 1.2034756952668937
Energy: 1.11870620525045
Energy: 1.17796760355041
Energy: 1.2034756952668937
Energy: 1.118706205253188
Energy: 1.1775759485312192
Energy: 1.2034756952668937
Energy: 1.2590442865547538
Energy: 1.3374724778367648
Energy: 1.180360222327139
Energy: 1.2590442865465392
Energy: 1.3374724778367648
Energy: 1.1803925027257824
Energy: 1.259044286543801
Energy: 1.3374724778367648
Energy: 1.1803602223298773
Energy: 1.2590442865574922
Energy: 1.194370147495942
Energy: 1.3653831747971519
Energy: 1.1662912833960393
Energy: 1.1943701474932036
Energy: 1.3653831747998904
Energy: 1.1662912834015158
Energy: 1.194370147495942
Energy: 1.3653831748026286
Energy: 1.1662912834015158
Energy: 1.19437014749868
Energy: 1.1704068104023746
Energy: 1.1385000745670728
Energy: 1.1421509473215106
Energy: 1.1704068104105896
Energy: 1.1385000745698108
Energy: 1.1421509473215106
Energy: 1.1704068104023746
Energy: 1.1385000745588583
Energy: 1.142150947324249
Energy: 1.1704068104105896
Energy: 1.1768962307403412
Energy: 1.2437695165529499
Energy: 1.2032822725339987
Energy: 1.176896230734865
Energy: 1.2437695165529499
Energy: 1.2032822725339987
Energy: 1.1768962307321267
Energy: 1.2437695165529499
Energy: 1.2032822725285224
Energy: 1.1768962307376032
Energy: 1.2163505270930561
Energy: 1.1186579073046385
Energy: 1.1671861965265156
Energy: 1.2163505270957942
Energy: 1.1186579073019003
Energy: 1.1671861965374686
Energy: 1.2163505270985324
Energy: 1.1186579073019003
Energy: 1.1671861965374686
Energy: 1.2163505270930561
Energy: 1.2147206899774556
Energy: 1.2127884193019491
Energy: 1.3549557447065326
Energy: 1.214720689982932
Energy: 1.212788419312902
Energy: 1.3938444703751454
Energy: 1.214720689980194
Energy: 1.2127884193074256
Energy: 1.3549557447120089
Energy: 1.2147206899884087
Energy: 1.11874236481419
Energy: 1.2862142562819134
Energy: 1.1824323595061257
Energy: 1.11874236481419
Energy: 1.205610430718189
Energy: 1.2045388660920215
Energy: 1.1187423648169283
Energy: 1.2862142562764372
Energy: 1.1824323595033874
Energy: 1.11874236481419
Energy: 1.1439252290660962
Energy: 1.195963698713211
Energy: 1.196107858531238
Energy: 1.1439252290578814
Energy: 1.195947068194879
Energy: 1.1957368553751249
Energy: 1.1439252290633577
Energy: 1.195963698713211
Energy: 1.196107858542141
Energy: 1.1439252290578814
Energy: 1.141117604235545
Energy: 1.1918939047188366
Energy: 1.1389858219300808
Energy: 1.1411176042410216
Energy: 1.1919100286793913
Energy: 1.1389858219273423
Energy: 1.141117604246498
Energy: 1.19189390471336
Energy: 1.138985821932819
Energy: 1.141117604235545
Energy: 1.2646557366298288
Energy: 1.1850872471162355
Energy: 1.1793322102303627
Energy: 1.2646557366243523
Energy: 1.1851010092398468
Energy: 1.1793322102358395
Energy: 1.264655736635305
Energy: 1.185087247110759
Energy: 1.1793322102331012
Energy: 1.2646557366380433
Energy: 1.2700210511538474
Energy: 1.225930369839929
Energy: 1.1731937851856005
Energy: 1.2700210511456325
Energy: 1.225930369831714
Energy: 1.1731937851883387
Energy: 1.2700210511483707
Energy: 1.225930369831714
Energy: 1.1731937851856005
Energy: 1.2700210511565855

minimum gb energy = 1.1173283425172067 eV
minimum distance =  2.17486226418012 Angstroms
sigma value = 185


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

Energy: 1.2683630120317855
Energy: 0.6486226012573575
Energy: 0.6610102576328976
Energy: 0.915779642595111
Energy: 0.6486226012596032
Energy: 0.661010257625392
Energy: 1.2683630120304854
Energy: 0.6486226012641538
Energy: 0.6610102576266922
Energy: 0.9157796425954656
Energy: 1.0124355549354982
Energy: 0.649356201073267
Energy: 0.8799399924400129
Energy: 0.9570784191911691
Energy: 0.6493562010684208
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Energy: 1.0124355549387485
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Energy: 0.8799399924387128
Energy: 0.9570784191895144
Energy: 0.9114009424088635
Energy: 0.6894798938097036
Energy: 0.8909626264075385
Energy: 0.9255980035716437
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Energy: 0.8750715434823464
Energy: 0.9114009423975166
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Energy: 0.9255980035693979
Energy: 1.0463130035037014
Energy: 0.6617287868123634
Energy: 1.0058760391539758
Energy: 1.0463130035098478
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Energy: 0.9705445176630737
Energy: 1.0463130035056516
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Energy: 0.9721471396011013
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Energy: 0.6610430246433108
Energy: 0.8844499308634283
Energy: 0.9655167981699183
Energy: 0.9298128212072461
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Energy: 0.936459903682267
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Energy: 0.9298128212094918
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Energy: 0.6615278856014457
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Energy: 1.0694607477430713
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Energy: 0.9720021613005049
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Energy: 0.9236919263423179
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Energy: 0.8837949934881388
Energy: 0.8900184096589759
Energy: 0.6839684788612549
Energy: 0.8837949934871341
Energy: 0.9315515784349337
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Energy: 0.890018409659626
Energy: 0.683968478854754
Energy: 0.8837949934877843
Energy: 0.8737280127491697
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Energy: 0.8092757302323266
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Energy: 0.8737280127410731
Energy: 0.9326943192590558
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Energy: 0.8092757302264758
Energy: 0.9232792151569945
Energy: 0.8553575488498768
Energy: 0.6493014238998448
Energy: 0.8527037407086708
Energy: 0.8501139358078615
Energy: 0.6493014239073504
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Energy: 0.8553575488485766
Energy: 0.6493014239099507
Energy: 0.8527037407073706
Energy: 0.9240865679069085
Energy: 1.001221457207851
Energy: 0.6849378386460613
Energy: 0.9117565968338004
Energy: 1.001221457207851
Energy: 0.684937838648307
Energy: 0.9240865679049584
Energy: 1.0012214572094469
Energy: 0.6849378386528576
Energy: 0.9117565968367554
Energy: 0.924133048993951
Energy: 0.6486226012612579
Energy: 0.661010257633193
Energy: 0.9251444052295626
Energy: 0.6486226012586577
Energy: 0.661010257625392
Energy: 0.9241330489922962
Energy: 0.6486226012615535
Energy: 0.6610102576279923
Energy: 0.9251444052282625
Energy: 0.8768329676868831
Energy: 0.649356201073267
Energy: 0.9082989034494829
Energy: 0.8900787648456073
Energy: 0.6493562010706666
Energy: 0.9293230306825951
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Energy: 0.9082989034485374
Energy: 0.8900787648456073
Energy: 0.9230538031082614
Energy: 0.6894798938093489
Energy: 0.8187582617146038
Energy: 0.8528468317314971
Energy: 0.6894798938125993
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Energy: 0.923053803112812
Energy: 0.689479893812954
Energy: 0.818758261712358
Energy: 0.8528468317379979
Energy: 1.046313003507602
Energy: 0.6617287868107677
Energy: 0.9299425571311593
Energy: 1.0463130035078976
Energy: 0.6617287868136635
Energy: 0.8944855949444058
Energy: 1.0463130035030515
Energy: 0.6617287868153183
Energy: 0.9299425571276134
Energy: 1.0463130035065975
Energy: 0.661043024650757
Energy: 0.683522520006065
Energy: 0.9316342006714458
Energy: 0.6610430246488069
Energy: 0.6835225200076606
Energy: 0.8902309897573204
Energy: 0.6610430246410057
Energy: 0.683522520006715
Energy: 0.9316342006737507
Energy: 0.6610430246429561
Energy: 0.8844499308618327
Energy: 0.8652116463389741
Energy: 0.9363265453128597
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Energy: 0.9113919873195064
Energy: 0.9279132161757677
Energy: 0.8844499308598823
Energy: 0.8652116463701781
Energy: 0.936326545304704
Energy: 0.8844499308598823
Energy: 0.6615278855994955
Energy: 0.9690324235199815
Energy: 1.0694607477414757
Energy: 0.6615278855958905
Energy: 0.9306877517906469
Energy: 1.0694607477378706
Energy: 0.6615278855929947
Energy: 0.9690324235280781
Energy: 1.0694607477440758
Energy: 0.6615278855945903
Energy: 0.8837949934877843
Energy: 0.8896923903581082
Energy: 0.6839684788628505
Energy: 0.8837949934861885
Energy: 0.9722125673383786
Energy: 0.6839684788612549
Energy: 0.8837949934874887
Energy: 0.8896923903565126
Energy: 0.6839684788554041
Energy: 0.8837949934887889
Energy: 0.7910916347466894
Energy: 1.008144993564013
Energy: 0.6603561871062811
Energy: 0.8055080982642485
Energy: 0.9731271186574886
Energy: 0.660356187105631
Energy: 0.7910916347453893
Energy: 1.0081449935659632
Energy: 0.6603561871066358
Energy: 0.8055080982700994
Energy: 0.9127659635289971
Energy: 0.9110716777094352
Energy: 0.649301423901145
Energy: 0.9253035102170646
Energy: 0.9288755461207242
Energy: 0.6493014239054
Energy: 0.9127659635253921
Energy: 0.9110716777077804
Energy: 0.649301423909596
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Energy: 1.0012214572094469
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Energy: 0.9269808757158587
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Energy: 0.6849378386444065
Energy: 1.091246906358076
Energy: 1.0012214572081466
Energy: 0.6849378386538623
Energy: 0.9269808757181637
Energy: 1.2683630120330858
Energy: 0.6486226012599579
Energy: 0.6610102576315973
Energy: 0.9157796425922151
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Energy: 0.6610102576240918
Energy: 1.2683630120308398
Energy: 0.6486226012632083
Energy: 0.6610102576286424
Energy: 0.9157796425918606
Energy: 1.012435554937803
Energy: 0.6493562010710212
Energy: 0.8799399924410176
Energy: 0.9570784191895144
Energy: 0.6493562010674162
Energy: 0.8587365960538363
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Energy: 0.8799399924367625
Energy: 0.9570784191908145
Energy: 0.9114009424072679
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Energy: 0.9255980035697525
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Energy: 0.9114009424020673
Energy: 0.6894798938132495
Energy: 0.8909626264130939
Energy: 0.9255980035706981
Energy: 1.0463130035050017
Energy: 0.6617287868110633
Energy: 1.00587603915368
Energy: 1.0463130035078976
Energy: 0.6617287868130135
Energy: 0.9705445176633694
Energy: 1.0463130035030515
Energy: 0.6617287868117133
Energy: 1.0058760391517299
Energy: 1.0463130035043515
Energy: 0.6610430246504616
Energy: 0.6835225200041146
Energy: 0.9721471396011013
Energy: 0.661043024650757
Energy: 0.6835225200089607
Energy: 0.8895372801860144
Energy: 0.6610430246436061
Energy: 0.6835225200083107
Energy: 0.9721471395968461
Energy: 0.6610430246429561
Energy: 0.8844499308618327
Energy: 0.9655167981692682
Energy: 0.9298128212098463
Energy: 0.8844499308601779
Energy: 0.9109929399322263
Energy: 0.9364599036848674
Energy: 0.8844499308601779
Energy: 0.965516798160876
Energy: 0.9298128212078961
Energy: 0.8844499308650831
Energy: 0.661527885599141
Energy: 0.9236919263458638
Energy: 1.0694607477430713
Energy: 0.6615278855975453
Energy: 0.97200216130476
Energy: 1.069460747741771
Energy: 0.6615278855932901
Energy: 0.9236919263423179
Energy: 1.0694607477443716
Energy: 0.6615278855916945
Energy: 0.8837949934881388
Energy: 0.8900184096560801
Energy: 0.6839684788599547
Energy: 0.8837949934868387
Energy: 0.9315515784371794
Energy: 0.6839684788596001
Energy: 0.8837949934874887
Energy: 0.8900184096615763
Energy: 0.6839684788554041
Energy: 0.8837949934910347
Energy: 0.8737280127485195
Energy: 0.9326943192633109
Energy: 0.6603561871040353
Energy: 0.8092757302346314
Energy: 0.9730813047048251
Energy: 0.6603561871062811
Energy: 0.8737280127410731
Energy: 0.9326943192590558
Energy: 0.6603561871101816
Energy: 0.809275730227776
Energy: 0.9232792151543942
Energy: 0.8553575488505268
Energy: 0.6493014238995493
Energy: 0.8527037407076662
Energy: 0.8501139358059112
Energy: 0.64930142390475
Energy: 0.9232792151504937
Energy: 0.8553575488521225
Energy: 0.6493014239063457
Energy: 0.8527037407076662
Energy: 0.924086567907204
Energy: 1.0012214572094469
Energy: 0.684937838644761
Energy: 0.911756596839001
Energy: 1.0012214572100968
Energy: 0.684937838644111
Energy: 0.9240865679010578
Energy: 1.0012214572091516
Energy: 0.6849378386509074
Energy: 0.9117565968341551

minimum gb energy = 0.6486226012573575 eV
minimum distance =  2.30813616461585 Angstroms
sigma value = 33


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

Energy: 1.104039568128663
Energy: 1.1528101449771875
Energy: 1.152508232220988
Energy: 1.052720680795841
Energy: 1.1528101449700499
Energy: 1.152508232224557
Energy: 1.1040395681268786
Energy: 1.1528101449664812
Energy: 1.152508232224557
Energy: 1.052720680795841
Energy: 1.131369819965015
Energy: 1.0687002151139164
Energy: 1.1040102085335959
Energy: 1.1313698199632307
Energy: 1.0687002151139164
Energy: 1.104010208524674
Energy: 1.131369819965015
Energy: 1.0687002151103477
Energy: 1.1040102085318118
Energy: 1.1313698199685838
Energy: 1.1280073305793743
Energy: 1.0544975233763005
Energy: 1.1096100905614867
Energy: 1.1280073305740212
Energy: 1.0544975233745162
Energy: 1.1371786720990704
Energy: 1.1280073305740212
Energy: 1.0544975233780849
Energy: 1.119224546335456
Energy: 1.1280073305793743
Energy: 1.2401077828601037
Energy: 1.0686578846479566
Energy: 1.1771436204387495
Energy: 1.240107782856535
Energy: 1.0686578846515253
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Energy: 1.068657884658663
Energy: 1.1771436204369652
Energy: 1.2401077828583194
Energy: 1.1838849913950886
Energy: 1.0958857346370685
Energy: 1.0527469695762934
Energy: 1.1838849914004417
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Energy: 1.0958857346388526
Energy: 1.0527469695816467
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Energy: 1.1190042160292417
Energy: 1.1595444523987073
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Energy: 1.0041988813532285
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Energy: 1.117462246210812
Energy: 1.1215434001912141
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Energy: 1.149363849579558
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Energy: 1.1493638495884797
Energy: 1.101551431014853
Energy: 1.1517443138097274
Energy: 1.067791748774071
Energy: 1.1809629754069506
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Energy: 1.17946435017131
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Energy: 1.1267858906499357
Energy: 1.0677917487776398
Energy: 1.0528696467085727
Energy: 1.1064020917316522
Energy: 1.1296794986583298
Energy: 1.052869646713926
Energy: 1.1067170119059893
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Energy: 1.1064020917280832
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Energy: 1.0685895876724105
Energy: 1.1238374197320196
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Energy: 1.115019523921561
Energy: 1.1046557102731025
Energy: 1.0685895876741947
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Energy: 1.104655710274887
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Energy: 1.073297594264698
Energy: 1.149349850119414
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Energy: 1.0487817443289063
Energy: 1.1493498501247672
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Energy: 1.073297594264698
Energy: 1.149349850119414
Energy: 1.1538640287950945
Energy: 1.1034057866413405
Energy: 1.1314991075931777
Energy: 1.0557264994744942
Energy: 1.103405786648478
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Energy: 1.0557264994691409
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Energy: 1.1314991075931777
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Energy: 1.1034057866395561
Energy: 1.1177011233110843
Energy: 1.2136464973479988
Energy: 1.0531423310977595
Energy: 1.117701123318222
Energy: 1.2136464973426455
Energy: 1.0531423310995438
Energy: 1.1177011233128689
Energy: 1.2136464973444299
Energy: 1.0531423311013284
Energy: 1.1177011233164376
Energy: 1.20312247649129
Energy: 1.1631102918978695
Energy: 1.047145776459998
Energy: 1.2031224764841524
Energy: 1.1631102918978695
Energy: 1.0471457764564291
Energy: 1.2031224764895057
Energy: 1.1631102918978695
Energy: 1.0471457764564291
Energy: 1.2031224764877213
Energy: 1.0523973074032127
Energy: 1.1517464379240552
Energy: 1.0966866543107454
Energy: 1.052397307396075
Energy: 1.1517464379222708
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Energy: 1.1353916538334259
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Energy: 1.1091316110113945
Energy: 1.1478569291630887
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Energy: 1.1589501273257308
Energy: 1.136228609465124
Energy: 1.115581999089075
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Energy: 1.1880271584336273
Energy: 1.0514372465310964
Energy: 1.0852357562844275
Energy: 1.1880271584300583
Energy: 1.0514372465364497

minimum gb energy = 1.0040641058464461 eV
minimum distance =  2.1966982674633 Angstroms
sigma value = 219


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

Energy: 1.2409715025976904
Energy: 1.4508993181149976
Energy: 1.4509239209405247
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Energy: 1.2387967591164364
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Energy: 1.2783577918102398
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Energy: 1.2582463632550525
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Energy: 1.4990657851810933
Energy: 1.4508595532396524
Energy: 1.2390166511809282
Energy: 1.4990657851810933
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Energy: 1.4508595532396524
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Energy: 1.3467647657513186
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Energy: 1.4216398132891253
Energy: 1.3467647657513186
Energy: 1.3470927384786613
Energy: 1.4216398132891253
Energy: 1.3467647657536803

minimum gb energy = 1.2312561982216095 eV
minimum distance =  2.23634128157985 Angstroms
sigma value = 15


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

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Energy: 1.4510392140084525
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minimum gb energy = 1.4076819902400661 eV
minimum distance =  2.17827987512564 Angstroms
sigma value = 293


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

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Energy: 1.4340912030895547
Energy: 1.5130723274897253
Energy: 1.4736881500895807
Energy: 1.4888027834802584
Energy: 1.5510806535271764
Energy: 1.4736881500895807
Energy: 1.4888027698982094
Energy: 1.5510806604808927
Energy: 1.4736881500895807
Energy: 1.488802785447981
Energy: 1.551080652964582
Energy: 1.4736881500895807
Energy: 1.512942834963432
Energy: 1.434074929167456
Energy: 1.519213525268859
Energy: 1.512942834963432
Energy: 1.4340749291701234
Energy: 1.519213525268859
Energy: 1.5129428349660994
Energy: 1.434074929167456
Energy: 1.519213525268859
Energy: 1.5129428349660994
Energy: 1.4273834238679093
Energy: 1.4358119989754965
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Energy: 1.4273834238679093
Energy: 1.435811998972829
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Energy: 1.4273834238679093
Energy: 1.4358119989754965
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Energy: 1.617108930223732
Energy: 1.43348592483789
Energy: 1.4540671138874055
Energy: 1.6171089302263995
Energy: 1.43348592483789
Energy: 1.4540671138847379
Energy: 1.617108930223732
Energy: 1.43348592483789
Energy: 1.4540671138874055
Energy: 1.6171089302263995
Energy: 1.5538447218636577
Energy: 1.560207201523618
Energy: 1.5243398200224898
Energy: 1.5538447218663254
Energy: 1.5602072015262853
Energy: 1.5243398200224898
Energy: 1.5538447218636577
Energy: 1.560207201523618
Energy: 1.5243398200224898
Energy: 1.5538447218663254
Energy: 1.4360154145015815
Energy: 1.4338418319144688
Energy: 1.4550784652038204
Energy: 1.4360154145015815
Energy: 1.4338418319171364
Energy: 1.4550784652064879
Energy: 1.4360154145015815
Energy: 1.4338418319144688
Energy: 1.4550784652011528
Energy: 1.4360154145015815
Energy: 1.5716158177955968
Energy: 1.4513051039938127
Energy: 1.451338595699177
Energy: 1.5716158177929294
Energy: 1.4513051039938127
Energy: 1.4513385956965095
Energy: 1.5716158177929294
Energy: 1.4513051039964804
Energy: 1.4513385956911744
Energy: 1.5716158177929294
Energy: 1.4360022997086408
Energy: 1.4548570302425403
Energy: 1.4338336694290172
Energy: 1.4360022997086408
Energy: 1.4548570302452077
Energy: 1.4338336694290172
Energy: 1.4360022997086408
Energy: 1.4548570302399213
Energy: 1.4338336694290172
Energy: 1.4360022997086408
Energy: 1.554100255647052
Energy: 1.5245806126990185
Energy: 1.5601853134249548
Energy: 1.5541002556443846
Energy: 1.5245806127016857
Energy: 1.5601853134249548
Energy: 1.554100255647052
Energy: 1.5245806127016857
Energy: 1.5601853134249548
Energy: 1.5541002556443846
Energy: 1.617317897324554
Energy: 1.4540699052206172
Energy: 1.4333413042034582
Energy: 1.6173178973272215
Energy: 1.4540699052179498
Energy: 1.4333413042034582
Energy: 1.617317897329889
Energy: 1.4540699052179498
Energy: 1.4333413042061256
Energy: 1.6173178973272215
Energy: 1.5103367090637256
Energy: 1.6864811510105906
Energy: 1.4195753623944276
Energy: 1.5103367090637256
Energy: 1.6864811510105906
Energy: 1.4195753623890928
Energy: 1.5103367090637256
Energy: 1.6864811510105906
Energy: 1.419575362397095
Energy: 1.5103367090637256

minimum gb energy = 1.4195753623890928 eV
minimum distance =  2.27916413900608 Angstroms
sigma value = 293


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

Energy: 1.4339838499312452
Energy: 1.4350332959885015
Energy: 1.4350441342744735
Energy: 1.4339838499331736
Energy: 1.4350332959880194
Energy: 1.4350441342706168
Energy: 1.4339838499317272
Energy: 1.4350332959885015
Energy: 1.4350441342744735
Energy: 1.4339838499331736
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4347933088009401
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Energy: 1.4347933088019045
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4347933088009401
Energy: 1.4320470630347748
Energy: 1.432392321893164
Energy: 1.4325877777201128
Energy: 1.384589676680548
Energy: 1.4323923218921997
Energy: 1.4325877777205949
Energy: 1.384589677071852
Energy: 1.432392321893164
Energy: 1.4325877777201128
Energy: 1.3845896769846326
Energy: 1.4323923218921997
Energy: 1.3851767749827888
Energy: 1.4325927748571303
Energy: 1.4323820742459696
Energy: 1.3851767747042567
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Energy: 1.4347996650083068
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Energy: 1.4347996650083068
Energy: 1.4341286660974368
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Energy: 1.4347996650063781
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Energy: 1.4339838499317272
Energy: 1.4350332959885015
Energy: 1.4350441342744735
Energy: 1.4339838499331736
Energy: 1.4350332959875374
Energy: 1.4350441342706168
Energy: 1.4339838499317272
Energy: 1.4350332959880194
Energy: 1.4341299654041062
Energy: 1.4347933088023426
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4347933088009401
Energy: 1.4320470630342925
Energy: 1.4341299654041062
Energy: 1.4347933088019045
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4325877777205949
Energy: 1.3845896768935564
Energy: 1.432392321893164
Energy: 1.4325877777201128
Energy: 1.3845896768824675
Energy: 1.4323923218921997
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Energy: 1.432392321893164
Energy: 1.432587777719631
Energy: 1.4325927748561662
Energy: 1.4323820742469335
Energy: 1.3851767748681325
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Energy: 1.4323820742459696
Energy: 1.3851767747442723
Energy: 1.4325927748561662
Energy: 1.4323820742469335
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Energy: 1.4325927748571303
Energy: 1.434128666098401
Energy: 1.4320524209158145
Energy: 1.4347996650083068
Energy: 1.4341286660969546
Energy: 1.432052420914368
Energy: 1.4347996650063781
Energy: 1.434128666098401
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Energy: 1.4350441342744735
Energy: 1.4339838499331736
Energy: 1.4350332959880194
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Energy: 1.4339838499317272
Energy: 1.4350332959885015
Energy: 1.4350441342744735
Energy: 1.4339838499331736
Energy: 1.4350332959875374
Energy: 1.4350441342706168
Energy: 1.4347933088009401
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Energy: 1.4341299654041062
Energy: 1.4347933088019045
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4347933088009401
Energy: 1.4320470630347748
Energy: 1.4341299654041062
Energy: 1.4347933088019045
Energy: 1.3845896770526112
Energy: 1.4323923218921997
Energy: 1.4325877777205949
Energy: 1.3845896768024801
Energy: 1.432392321893164
Energy: 1.432587777719631
Energy: 1.384589676985597
Energy: 1.4323923218921997
Energy: 1.4325877777205949
Energy: 1.3845896767268313
Energy: 1.4323820742454874
Energy: 1.3851767748946051
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Energy: 1.4323820742464517
Energy: 1.3851767746073946
Energy: 1.4325927748576124
Energy: 1.4323820742459696
Energy: 1.385176774848848
Energy: 1.4325927748561662
Energy: 1.4323820742469335
Energy: 1.432052420914368
Energy: 1.4347996650063781
Energy: 1.434128666098401
Energy: 1.4320524209153322
Energy: 1.4347996650083068
Energy: 1.4341286660969546
Energy: 1.4320524209138858
Energy: 1.4347996650063781
Energy: 1.434128666098401
Energy: 1.4320524209162966
Energy: 1.4339838499317272
Energy: 1.4350332959885015
Energy: 1.4350441342744735
Energy: 1.4339838499331736
Energy: 1.4350332959880194
Energy: 1.4350441342706168
Energy: 1.4339838499317272
Energy: 1.4350332959880194
Energy: 1.4350441342744735
Energy: 1.4339838499331736
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4347933088009401
Energy: 1.4320470630342925
Energy: 1.4341299654041062
Energy: 1.4347933088023426
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4347933088009401
Energy: 1.4320470630347748
Energy: 1.432392321893164
Energy: 1.432587777719631
Energy: 1.3845896769191086
Energy: 1.4323923218917176
Energy: 1.4325877777201128
Energy: 1.3845896765596244
Energy: 1.432392321893164
Energy: 1.432587777719631
Energy: 1.3845896768704147
Energy: 1.4323923218917176
Energy: 1.3851767745938957
Energy: 1.4325927748571303
Energy: 1.4323820742454874
Energy: 1.385176774860901
Energy: 1.4325927748561662
Energy: 1.4323820742469335
Energy: 1.3851767748844805
Energy: 1.4325927748571303
Energy: 1.4323820742454874
Energy: 1.3851767749404063
Energy: 1.4347996650083068
Energy: 1.4341286660974368
Energy: 1.432052420914368
Energy: 1.434799665005896
Energy: 1.434128666098401
Energy: 1.4320524209153322
Energy: 1.4347996650083068
Energy: 1.4341286660969546
Energy: 1.432052420914368
Energy: 1.4347996650063781
Energy: 1.4350332959875374
Energy: 1.4350441342706168
Energy: 1.4339838499317272
Energy: 1.4350332959885015
Energy: 1.4350441342744735
Energy: 1.4339838499326916
Energy: 1.4350332959875374
Energy: 1.4350441342706168
Energy: 1.4339838499317272
Energy: 1.4350332959885015
Energy: 1.4341299654041062
Energy: 1.4347933088019045
Energy: 1.4320470630333284
Energy: 1.4341299654050705
Energy: 1.4347933088009401
Energy: 1.4320470630342925
Energy: 1.4341299654041062
Energy: 1.4347933088019045
Energy: 1.4320470630333284
Energy: 1.4341299654050705

minimum gb energy = 1.3845896765596244 eV
minimum distance =  2.26277648502081 Angstroms
sigma value = 15


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

Energy: 1.486863487201385
Energy: 1.471558782922977
Energy: 1.516390983039983
Energy: 1.4465316068761043
Energy: 1.4715587829317187
Energy: 1.5163909830487248
Energy: 1.486863487201385
Energy: 1.4715587829251624
Energy: 1.5163909830487248
Energy: 1.4465316068761043
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Energy: 1.4209218618433268
Energy: 1.511331871411454
Energy: 1.4202224129053544
Energy: 1.4209218618411807
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Energy: 1.5179622538340665
Energy: 1.4683019840209668
Energy: 1.606787775302536
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Energy: 1.3929444754609333
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Energy: 1.5512410189203265
Energy: 1.3930160369144633
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Energy: 1.5512410189203265
Energy: 1.558916793251292
Energy: 1.3882304225468298
Energy: 1.4956442133657866
Energy: 1.558916793251292
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Energy: 1.3941264934001663
Energy: 1.4771484695558144
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Energy: 1.3941264933957953
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Energy: 1.4801877081526849
Energy: 1.491182524237812
Energy: 1.468722210052934
Energy: 1.4801877081548704
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Energy: 1.4911825242399974
Energy: 1.468722210052934
Energy: 1.421053036561079
Energy: 1.5557329936200799
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Energy: 1.42102916491441
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Energy: 1.5557329936288216
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Energy: 1.42102916491441
Energy: 1.5208410617472088
Energy: 1.3775668109379327
Energy: 1.4975120371807698
Energy: 1.5208410617493942
Energy: 1.3775668109357475
Energy: 1.4975120371851405
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Energy: 1.3775668109357475
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Energy: 1.5208410617559507
Energy: 1.6209914950329807
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Energy: 1.6194199859088445
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Energy: 1.6209914950329807
Energy: 1.5094932317752245
Energy: 1.391212460308206
Energy: 1.4650560775319064
Energy: 1.515733652379447
Energy: 1.3912303450973926
Energy: 1.46505607752535
Energy: 1.50949323177741
Energy: 1.3912124603213183
Energy: 1.4650560775275354
Energy: 1.5157336523838179
Energy: 1.4477038537870457
Energy: 1.391283290981532
Energy: 1.5483479411008383
Energy: 1.44770385378486
Energy: 1.391283290974976
Energy: 1.548347941105209
Energy: 1.447703853789231
Energy: 1.391283290985903
Energy: 1.5483479411030234
Energy: 1.4477038537979727
Energy: 1.5461083073408366
Energy: 1.5367020440342611
Energy: 1.414385435999533
Energy: 1.5461083073320947
Energy: 1.53670204402993
Energy: 1.4143972438528853
Energy: 1.5461083073342803
Energy: 1.5367020440277446
Energy: 1.414385435999533
Energy: 1.5461083073299093
Energy: 1.3784324473473892
Energy: 1.5627943391009178
Energy: 1.5472644771110913
Energy: 1.3784324473473892
Energy: 1.562794339096547
Energy: 1.5472644771110913
Energy: 1.3784324473561311
Energy: 1.5627943390987327
Energy: 1.5472644771132764
Energy: 1.378432447360502
Energy: 1.485762164989246
Energy: 1.5395258114577155
Energy: 1.5040208015314456
Energy: 1.445217446180159
Energy: 1.5395258114533448
Energy: 1.5040208015335914
Energy: 1.485762164989246
Energy: 1.5395258114533448
Energy: 1.5040208015314456
Energy: 1.4452174461823448
Energy: 1.485713175770028
Energy: 1.5706582067640267
Energy: 1.5258643626417163
Energy: 1.445544203487103
Energy: 1.5706582068535895
Energy: 1.5205908942497701
Energy: 1.4857131757656572
Energy: 1.5706582067116162
Energy: 1.5258643626351598
Energy: 1.445544203484918
Energy: 1.3844955749642915
Energy: 1.7268078694526534
Energy: 1.5569309291497089
Energy: 1.3844955749664771
Energy: 1.7268078694613955
Energy: 1.5569309291475233
Energy: 1.3844955749621062
Energy: 1.7268078694592097
Energy: 1.5569309291409672
Energy: 1.3844955749555499
Energy: 1.413794792433628
Energy: 1.4143078138516834
Energy: 1.5589237373255271
Energy: 1.4137947924205152
Energy: 1.4143078138538687
Energy: 1.5589237373255271
Energy: 1.413794792429257
Energy: 1.4143078138582394
Energy: 1.5589237373277125
Energy: 1.4137947924270715
Energy: 1.5262928444889183
Energy: 1.536147691542389
Energy: 1.3899274097076209
Energy: 1.5262928444954744
Energy: 1.5361476915402037
Energy: 1.3896789648092411
Energy: 1.5262928444889183
Energy: 1.5361476915445742
Energy: 1.3899274097185481
Energy: 1.5262928444889183
Energy: 1.6331403612235287
Energy: 1.4999958186027973
Energy: 1.3932657839186426
Energy: 1.6331403612344557
Energy: 1.4999958186071682
Energy: 1.3932657839186426
Energy: 1.6331403612344557
Energy: 1.4999958186158706
Energy: 1.3932657839142717
Energy: 1.6331403612235287
Energy: 1.5368297630963381
Energy: 1.5387481347340641
Energy: 1.48538948396661
Energy: 1.5368297630963381
Energy: 1.5387481347275078
Energy: 1.485389483970981
Energy: 1.5368297631050796
Energy: 1.5387481347253222
Energy: 1.4853894839731663
Energy: 1.5368297631050796
Energy: 1.5304932799253568
Energy: 1.5024680788691311
Energy: 1.378958774879955
Energy: 1.5304932799209858
Energy: 1.5024680788647604
Energy: 1.378958774877809
Energy: 1.5304932799253568
Energy: 1.5024680788625746
Energy: 1.3789587748756238
Energy: 1.5304932799231712
Energy: 1.4217279110934358
Energy: 1.5562505240696947
Energy: 1.488779076469801
Energy: 1.4217279110868797
Energy: 1.5562505240675089
Energy: 1.4887790764785427
Energy: 1.4217279110868797
Energy: 1.5562505240675089
Energy: 1.4887790764807278
Energy: 1.4217279110890648
Energy: 1.5432739335877865
Energy: 1.448196419652551
Energy: 1.450346238663411
Energy: 1.54327393358123
Energy: 1.4479349096572358
Energy: 1.45013881589932
Energy: 1.5432739335877865
Energy: 1.4481964196547368
Energy: 1.4503462386699673
Energy: 1.5432739335921573
Energy: 1.6364177096093924
Energy: 1.3789666104823401
Energy: 1.5041103551820558
Energy: 1.6364177096137633
Energy: 1.378966610491042
Energy: 1.504110355177685
Energy: 1.6364177096115777
Energy: 1.3789666104932274
Energy: 1.5041103551820558
Energy: 1.636417709607207
Energy: 1.4770009284790826
Energy: 1.6182741203447735
Energy: 1.4771775697439078
Energy: 1.4770009284725263
Energy: 1.6182741203447735
Energy: 1.4771775697439078
Energy: 1.4770009284768972
Energy: 1.61827412035129
Energy: 1.4771775697460932
Energy: 1.477000928474712
Energy: 1.5187294874801334
Energy: 1.3906419077065824
Energy: 1.651619835447122
Energy: 1.5187294874779482
Energy: 1.390643145161182
Energy: 1.6516198354514928
Energy: 1.5187294874757626
Energy: 1.390641907704397
Energy: 1.6516198354558638
Energy: 1.5187294874779482
Energy: 1.4097447838572323
Energy: 1.4106177560710726
Energy: 1.5433698285961652
Energy: 1.4097447838637889
Energy: 1.4106177560754436
Energy: 1.5433698285874236
Energy: 1.409744783859418
Energy: 1.4106177560798145
Energy: 1.5433698285896091
Energy: 1.409744783859418
Energy: 1.409298422038603
Energy: 1.483586667335628
Energy: 1.4154075828128907
Energy: 1.4092984222199143
Energy: 1.4835866673290714
Energy: 1.4154157299911865
Energy: 1.4092984221849474
Energy: 1.483586667331257
Energy: 1.4154075828260033
Energy: 1.409298422099755
Energy: 1.3789776071870383
Energy: 1.478962283731256
Energy: 1.4812628566540085
Energy: 1.3789776071870383
Energy: 1.4789622837290706
Energy: 1.4812628566583794
Energy: 1.378977607189224
Energy: 1.4789622837399978
Energy: 1.4812628566583794
Energy: 1.378977607184853
Energy: 1.4070249023019348
Energy: 1.54073358714331
Energy: 1.5828585540008773
Energy: 1.447137595382162
Energy: 1.54073358714331
Energy: 1.5828585540030629
Energy: 1.4070249023150472
Energy: 1.5407335871476808
Energy: 1.5828585540096192
Energy: 1.4471375953909034

minimum gb energy = 1.3775668109357475 eV
minimum distance =  2.16534430266018 Angstroms
sigma value = 437


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

Energy: 1.3668173265579484
Energy: 1.36599342736849
Energy: 1.366054450425125
Energy: 1.3668173265587444
Energy: 1.3659934273661012
Energy: 1.366054450421144
Energy: 1.3668173265587444
Energy: 1.3659934273692862
Energy: 1.366054450425921
Energy: 1.3668173265587444
Energy: 1.4788492983050616
Energy: 1.3289030838908527
Energy: 1.5078594743218172
Energy: 1.4788492983050616
Energy: 1.3289030838908527
Energy: 1.5078594743194285
Energy: 1.4788492983050616
Energy: 1.3289030838908527
Energy: 1.5078594743226132
Energy: 1.4788492983050616
Energy: 1.4640144404283073
Energy: 1.3143160445501743
Energy: 1.6225624897117261
Energy: 1.4640144404283073
Energy: 1.3143160445477855
Energy: 1.6225624897117261
Energy: 1.4640144404283073
Energy: 1.314316044549378
Energy: 1.6225624897093374
Energy: 1.4640144404283073
Energy: 1.4678730219186353
Energy: 1.5634789597701297
Energy: 1.4486852765494826
Energy: 1.4678730219170428
Energy: 1.5634789597693337
Energy: 1.4486852765518714
Energy: 1.4678730219178389
Energy: 1.5634789597693337
Energy: 1.4486852765494826
Energy: 1.4678730219186353
Energy: 1.5374510286937844
Energy: 1.351402270038341
Energy: 1.680176467169458
Energy: 1.537451028696173
Energy: 1.351402270038341
Energy: 1.6801764671670694
Energy: 1.5374510286937844
Energy: 1.351402270039137
Energy: 1.6801764671702542
Energy: 1.5374510286969691
Energy: 1.4160576013328954
Energy: 1.5065002016929685
Energy: 1.3294839972683463
Energy: 1.4160576013320993
Energy: 1.5065002016969495
Energy: 1.3294839972675503
Energy: 1.4160576013328954
Energy: 1.5065002016929685
Energy: 1.3294839972683463
Energy: 1.4160576013313029
Energy: 1.524871984800877
Energy: 1.3789239302947947
Energy: 1.3144498190228984
Energy: 1.5248719848000807
Energy: 1.3789239302947947
Energy: 1.3144498190189176
Energy: 1.524871984800877
Energy: 1.3789239302947947
Energy: 1.3144498190228984
Energy: 1.5248719848000807
Energy: 1.4467046250682176
Energy: 1.5238867883935285
Energy: 1.4407895813905378
Energy: 1.4467046250650328
Energy: 1.5238867883935285
Energy: 1.4407895813889455
Energy: 1.4467046250682176
Energy: 1.5238867883935285
Energy: 1.4407895813905378
Energy: 1.4467046250658289
Energy: 1.7051992095809245
Energy: 1.505668840713559
Energy: 1.3519762274013314
Energy: 1.7051992095817208
Energy: 1.505668840714355
Energy: 1.35197622740372
Energy: 1.7051992095809245
Energy: 1.5056688407127625
Energy: 1.3519762274013314
Energy: 1.7051992095809245
Energy: 1.448566745682296
Energy: 1.4989409185244664
Energy: 1.4661964965276866
Energy: 1.4485667456807036
Energy: 1.4989409185268547
Energy: 1.4661964965276866
Energy: 1.448566745682296
Energy: 1.4989409185244664
Energy: 1.46619649652689
Energy: 1.4485667456807036
Energy: 1.4264796906182837
Energy: 1.4267724939579243
Energy: 1.5430566119483415
Energy: 1.4264796906182837
Energy: 1.426772493961109
Energy: 1.5430566119507303
Energy: 1.4264796906182837
Energy: 1.4267724939587203
Energy: 1.5430566119483415
Energy: 1.42647969061908
Energy: 1.499078213143246
Energy: 1.3305745903618662
Energy: 1.4846501472091145
Energy: 1.4990782131408575
Energy: 1.3305745903626622
Energy: 1.484650147206726
Energy: 1.499078213143246
Energy: 1.3305745903618662
Energy: 1.4846501472083182
Energy: 1.4990782131408575
Energy: 1.3326146880183922
Energy: 1.597682445045868
Energy: 1.3323992270559963
Energy: 1.3326146880199845
Energy: 1.5976824450466645
Energy: 1.3323992270544043
Energy: 1.3326146880183922
Energy: 1.5976824450482567
Energy: 1.3323992270559963
Energy: 1.3326146880199845
Energy: 1.3529533312340274
Energy: 1.3695932326784275
Energy: 1.441575436200806
Energy: 1.3529533312348236
Energy: 1.369593232679224
Energy: 1.4415754362016022
Energy: 1.3529533312340274
Energy: 1.3695932326776314
Energy: 1.441575436200806
Energy: 1.35295333123562

minimum gb energy = 1.3143160445477855 eV
minimum distance =  2.1930576642902 Angstroms
sigma value = 33