Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61472986638546
cohesive_energy=3.5402784093299027
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.76878552828076e-19, 3.1904143312842e-19, 3.5451362380517994e-19, 3.8490691455216e-19, 4.1124990276838794e-19, 4.34250750526092e-19, 4.54423756524786e-19, 4.721582496865319e-19, 4.8775864357179e-19, 5.01463662499026e-19, 5.13475180724124e-19, 5.23953415910484e-19, 5.3303775742526395e-19, 5.40845164162746e-19, 5.47476573250872e-19, 5.53020104404512e-19, 5.57552662102098e-19, 5.61141537762258e-19, 5.6384601192045e-19, 5.6572055858223e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65558738742196e-19, 5.633317132209359e-19, 5.599334965802219e-19, 5.84600608037286e-19, 5.795938060560359e-19, 5.72792566244706e-19, 5.6385722715688795e-19, 5.52377631574278e-19, 5.3785229821043395e-19, 5.196643890612659e-19, 4.97054472402258e-19, 4.6907726401935e-19, 4.34540744496846e-19, 3.91945276505322e-19, 3.3936023720080794e-19, 2.7429744627070197e-19, 1.93491667734912e-19, 9.2610615975102e-20, 8.87163654485016e-20, -4.76745281389674e-20, -2.2119009738350397e-19, -4.441089433550939e-19, -7.3385297455419e-19, -1.1156388490233178e-18, -1.5097983336368279e-18, -2.14374437982468e-18, -2.6998919330187602e-18, -3.4383992306947195e-18, -3.0094965457729197e-18]
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: 392.8935712492111
Energy: 406.60575526205196
Energy: 409.5311288051407
Energy: 409.2466129641557
Energy: 393.2533983293299
Energy: 392.8819265494966
Energy: 409.51800007276415
Energy: 407.73283316655983
Energy: 406.4235078103631
Energy: 394.029864963768
Energy: 409.2628919377244
Energy: 412.47827929411284
Energy: 410.7286897533294
Energy: 411.9636306508215
Energy: 408.24131584490016
Energy: 400.5368589047509
Energy: 412.48887867172687
Energy: 409.1846316780157
Energy: 413.27991270913327
Energy: 405.7779165887707
Energy: 410.5817189374499
Energy: 393.7677173350547
Energy: 392.8641318138964
Energy: 409.56994093014816
Energy: 409.2096040756098
Energy: 400.88240728191073
Energy: 393.7666563934869
Energy: 392.8659001445835
Energy: 403.0407244698647
Energy: 407.8903589549919
Energy: 407.1534397869662
Energy: 394.48813377574044
Energy: 393.78094228560167
Energy: 410.3296273421248
Energy: 411.80732332055095
Energy: 407.12346570968936
Energy: 394.24206390155257
Energy: 393.79282219749626
Energy: 410.5502168536828
Energy: 411.15290113899823
Energy: 406.22866038409086
Energy: 407.5292413214403
Energy: 400.68724483565194
Energy: 393.76998538956707
Energy: 392.8829755376733
Energy: 403.9336466787084
Energy: 400.70292294915623
Energy: 406.2314515838355
Energy: 393.76663834299353
Energy: 410.27118766851623
Energy: 410.57457722224075
Energy: 399.7946879572349
Energy: 400.60080841093946
Energy: 392.8659966715713
Energy: 393.7719340414552
Energy: 410.36808571388474
Energy: 416.8591603690548
Energy: 403.84851613941674
Energy: 392.87337417476493
Energy: 393.78557976003
Energy: 393.7706468109215
Energy: 403.18051167187326
Energy: 408.6494383048395
Energy: 409.25259302913094
Energy: 410.3487592807267
Energy: 393.7683616989623
Energy: 412.4840087817233
Energy: 410.5804442621722
Energy: 409.0698479187905
Energy: 402.2801416940914

minimum gb energy = 392.8641318138964 eV
minimum distance =  2.39165795544812 Angstroms
sigma value = 3


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

Energy: 595.5859476466106
Energy: 603.49223362795
Energy: 603.1340432469776
Energy: 602.9445433081172
Energy: 602.9398922496133
Energy: 596.9393755928816
Energy: 603.3337302059324
Energy: 604.128178478315
Energy: 603.9871749471414
Energy: 601.67650413112
Energy: 604.4408076124548
Energy: 604.5298909834271
Energy: 602.3836694402117
Energy: 602.1272604643125
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Energy: 602.6241105471784
Energy: 602.2629725881175
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Energy: 598.9834388918547
Energy: 598.8134447704359
Energy: 604.2551507562162
Energy: 602.1498250624082
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Energy: 604.2268600542612
Energy: 598.6228238081766
Energy: 603.1556661532977
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Energy: 603.9053155490743
Energy: 603.6695401685679
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Energy: 604.0852054663791
Energy: 602.0878190226083
Energy: 604.3080906377414
Energy: 602.7449511644178
Energy: 602.6215492589707
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Energy: 605.1844193054417
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Energy: 604.0452542192141
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Energy: 603.3987456691594
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Energy: 598.832338249818
Energy: 603.8959552131823
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Energy: 603.6615532038875
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Energy: 603.0413106832192
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Energy: 602.2530572000898
Energy: 604.0151232176707
Energy: 604.1119841950264
Energy: 604.5392469499445
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Energy: 603.4201546954881
Energy: 603.6861794733445
Energy: 604.5537151365081
Energy: 603.4766223158233
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Energy: 596.4155255774134
Energy: 603.9679319846513
Energy: 603.9133976212809
Energy: 603.2693330548973
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Energy: 596.8082219070257
Energy: 603.3076613518679
Energy: 602.1294407245788
Energy: 603.8321163604643
Energy: 602.9093599511632
Energy: 603.2896628416571
Energy: 601.1760880348717
Energy: 604.5548371292163
Energy: 602.3043677451175
Energy: 603.2287454109627
Energy: 604.7556633146636
Energy: 601.2590894173785
Energy: 601.6943607868766
Energy: 602.1871036008392
Energy: 603.2507223908981
Energy: 602.3937029817334
Energy: 598.6177065158241
Energy: 598.1372769449998
Energy: 603.6584420415506
Energy: 603.7173744301106
Energy: 603.5847766852295
Energy: 598.4883904264412
Energy: 598.9057401891868
Energy: 602.303538001482
Energy: 603.4363618327454
Energy: 603.5803592937233
Energy: 598.7264357448834
Energy: 599.1000807711524
Energy: 603.5117298999323
Energy: 601.1799922920834
Energy: 603.012152611645
Energy: 598.3367153407652
Energy: 597.9107061046151
Energy: 602.9859350559469
Energy: 601.3563657882856
Energy: 604.4885062282193
Energy: 604.077777085937
Energy: 603.8424201254928
Energy: 602.0670287454002
Energy: 603.8180710851742
Energy: 604.413220866328
Energy: 603.0272059234638
Energy: 604.1366031580769
Energy: 604.6983246649866
Energy: 603.0623638557722
Energy: 601.8225097049152
Energy: 601.8726056046046
Energy: 604.1126881510695
Energy: 602.8289109582666
Energy: 604.2472767807783
Energy: 601.6191373233936
Energy: 603.0619552434853
Energy: 603.4168290535983
Energy: 598.375370637679
Energy: 603.7172906903226
Energy: 603.9933920707538
Energy: 602.8547368607834
Energy: 604.9192858169273
Energy: 601.5428209189046
Energy: 604.0150122980453
Energy: 604.762007398274
Energy: 601.770469235727
Energy: 604.5624689447411
Energy: 602.787642952217
Energy: 604.0267750764762
Energy: 604.5322889550206
Energy: 602.98074044675
Energy: 605.5739204281361
Energy: 604.8363327039102
Energy: 602.5596007091297
Energy: 603.3685463875377
Energy: 603.8966323168387
Energy: 603.7158291782655
Energy: 601.5677771316531
Energy: 602.5424893819422
Energy: 602.8929793181654
Energy: 603.6120124140482
Energy: 603.9762449365415
Energy: 602.561326142071
Energy: 603.4519592940892
Energy: 604.1437522957408
Energy: 603.6767401154203
Energy: 600.6819343756889
Energy: 601.324395051793
Energy: 603.8555193863457
Energy: 602.4867191849299
Energy: 604.0375549727978
Energy: 603.467435050808
Energy: 604.3486094212615
Energy: 599.185345229486
Energy: 603.9968191115674
Energy: 604.0449451304698
Energy: 603.4872093722122
Energy: 604.5924719736166
Energy: 599.0749923717509
Energy: 604.6498447520568
Energy: 602.2157372189324
Energy: 602.1153692613346
Energy: 603.2813571008504
Energy: 598.9454844005736
Energy: 604.3871670365367
Energy: 602.946921566787
Energy: 602.4773168610678
Energy: 604.0443971468487
Energy: 599.2976944658956
Energy: 603.7779652336648
Energy: 603.0294407455424
Energy: 604.2683238632512
Energy: 602.6483608582922
Energy: 603.8560594816688
Energy: 604.5853910972562
Energy: 604.304824882517
Energy: 601.8709316757601
Energy: 603.8668441647387
Energy: 603.2290278282321
Energy: 603.6621333222843
Energy: 598.2850948954184
Energy: 603.8075648697231
Energy: 600.5918120414661
Energy: 601.5459537750019
Energy: 603.3621086106058
Energy: 602.9994116524064
Energy: 603.2162723058578
Energy: 600.2529920411544
Energy: 601.6456575533133
Energy: 602.339691369228
Energy: 603.7130626327918
Energy: 602.0997724222018
Energy: 604.5710171546394
Energy: 604.3503380149822
Energy: 601.571758669386
Energy: 604.3826266580601
Energy: 603.6731325819469
Energy: 605.1895192295125
Energy: 601.4933755008893
Energy: 595.9295932545465
Energy: 602.7967706517542
Energy: 603.8847584504956
Energy: 603.3205123975988
Energy: 602.9188038926816
Energy: 596.3376732903427
Energy: 603.5266010542223
Energy: 604.1420743501811
Energy: 603.2795755870779
Energy: 601.7969397714037

minimum gb energy = 595.5859476466106 eV
minimum distance =  2.28367138465033 Angstroms
sigma value = 75


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

Energy: 413.05470228262493
Energy: 412.20252533555515
Energy: 412.1990636714761
Energy: 411.7674989502333
Energy: 410.79808339191186
Energy: 409.41018519272507
Energy: 411.20818471580344
Energy: 412.30944253191774
Energy: 411.4525481909335
Energy: 409.9162527330958
Energy: 413.096319295095
Energy: 413.3384527855925
Energy: 410.32868644128064
Energy: 412.2146988997738
Energy: 410.61723299695507
Energy: 411.46163858830744
Energy: 410.34908852904033
Energy: 410.4581135452657
Energy: 410.88020527648723
Energy: 412.5390423842793
Energy: 411.7631191133259
Energy: 405.97781884051193
Energy: 405.5700952209029
Energy: 411.83358683006827
Energy: 409.42058929718553
Energy: 411.5036308473885
Energy: 405.92681972808504
Energy: 405.6300355541861
Energy: 410.6873308862364
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Energy: 412.23325283423696
Energy: 412.79751407373385
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Energy: 412.4123323148505
Energy: 408.9601673229248
Energy: 412.40995863600864
Energy: 412.25853791557176
Energy: 411.9999680748299
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Energy: 411.52592484835037
Energy: 410.30261497828826
Energy: 412.18654052771575
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Energy: 410.33459894501226
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Energy: 412.43013455839395
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Energy: 411.0839088359089
Energy: 410.7959255730637
Energy: 412.79393074964554
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Energy: 411.77374980152376
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Energy: 412.1993001137512
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Energy: 410.9430387980338
Energy: 410.5600422910903
Energy: 412.7840455947299
Energy: 410.5665268502946
Energy: 409.1981684423167
Energy: 410.7938774576796
Energy: 405.97809778945077
Energy: 405.6282550747421
Energy: 411.61101411536436
Energy: 409.21652548728474
Energy: 411.5403799705452
Energy: 405.8271913341968
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Energy: 409.0788899634564
Energy: 412.12708363406546
Energy: 412.5521896492136
Energy: 412.3181441757824
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Energy: 411.7778386456929
Energy: 412.49773107907964
Energy: 411.605924647058
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Energy: 412.37989965441744
Energy: 411.0887897283204
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Energy: 411.3640802208516
Energy: 411.234978083661
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Energy: 411.8091988585908
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Energy: 410.1129908496745
Energy: 412.4999146747663
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Energy: 411.39525948603637
Energy: 412.63397163548467
Energy: 405.63980546900115
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Energy: 411.50666585233716
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Energy: 409.3824194448719
Energy: 409.2076214178695
Energy: 411.93084866143136
Energy: 405.5043574283115
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Energy: 408.99498331676597
Energy: 409.43999157790626
Energy: 411.7392877736267
Energy: 405.5724432849395
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Energy: 412.2681492946054
Energy: 411.68071192921104
Energy: 412.90812816954985
Energy: 412.20078020307227
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Energy: 411.79474847803016
Energy: 412.2712902475522
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Energy: 411.9222454036748
Energy: 412.9464309624614
Energy: 411.22375484000764
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Energy: 411.75280484685
Energy: 411.5425202648962
Energy: 413.68424128185643
Energy: 405.60485385361494
Energy: 411.140901197528
Energy: 411.93522191770325
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Energy: 413.4988870571153
Energy: 405.5676880876125
Energy: 411.63263083494604
Energy: 409.2075011882675
Energy: 409.4551218414306
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Energy: 405.88504686495565
Energy: 410.77179364262065
Energy: 409.1072383199632
Energy: 409.054270650974
Energy: 411.73317318796717
Energy: 412.68625038749036
Energy: 410.9078338555867
Energy: 411.7914860462167
Energy: 410.7521540898846
Energy: 412.56063021236145
Energy: 412.9267805270021
Energy: 411.805044581309
Energy: 410.3752545204608
Energy: 412.5512622620755
Energy: 413.5253702708061
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minimum gb energy = 405.39002386383964 eV
minimum distance =  2.26694232828858 Angstroms
sigma value = 105


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

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Energy: 365.67819793151926
Energy: 366.442925376812
Energy: 366.59400820544647
Energy: 364.1072000009997
Energy: 367.52296929159417
Energy: 364.32858041475595
Energy: 366.62840544484754
Energy: 366.29815632190963
Energy: 367.3139988254834
Energy: 366.9063438260725
Energy: 365.28473397081217
Energy: 366.85039194058464
Energy: 367.6457674390169
Energy: 366.24671509925577
Energy: 365.76159628518326
Energy: 365.0233004867257
Energy: 365.8257276713914
Energy: 364.21947740908047
Energy: 366.422833152132
Energy: 367.9075688118405
Energy: 364.96335289805666
Energy: 365.066405339777
Energy: 364.1998228100401
Energy: 366.4135906341043
Energy: 367.1376703089267
Energy: 368.10095944338
Energy: 367.28835816205765
Energy: 367.184907076816
Energy: 366.7333802606316
Energy: 366.3719243237372
Energy: 366.5971847346594
Energy: 366.08822142638576
Energy: 365.50693362706164
Energy: 367.6132428563726
Energy: 367.6857998627898
Energy: 364.0565218276677
Energy: 367.5758533322665
Energy: 367.2985899989996
Energy: 366.59112483169315
Energy: 359.58332260102117
Energy: 364.2876921117417
Energy: 366.56744641683116
Energy: 366.5867694719043
Energy: 366.80449401141493
Energy: 359.22948177021004
Energy: 366.8890180665295
Energy: 366.477773489631
Energy: 365.2384805675274
Energy: 367.8444292905713
Energy: 365.5547286792511
Energy: 367.8674602229434
Energy: 365.6993140477124
Energy: 366.7194599609548
Energy: 367.577077905894
Energy: 364.6939721286359
Energy: 367.32740199468117
Energy: 366.1760600527971
Energy: 365.6847060948572
Energy: 364.1365273730961
Energy: 368.1114442938103
Energy: 367.8317887412053
Energy: 367.3190974645735
Energy: 366.8391058471843
Energy: 365.02065729649985
Energy: 366.77047169935736
Energy: 367.6490857167493
Energy: 365.5042410372468
Energy: 367.55374922768186
Energy: 362.9912315067874
Energy: 366.1892087937347
Energy: 367.48415793184074
Energy: 368.04402638200753
Energy: 366.19143571987985
Energy: 363.411786302038
Energy: 364.9035317406841
Energy: 363.9064855202929
Energy: 367.28085058119734
Energy: 365.6526077707319
Energy: 367.2424339033268
Energy: 366.5983821237517
Energy: 364.0072761667713
Energy: 366.4549710930092
Energy: 365.5580500438444
Energy: 367.0495279385822
Energy: 367.1485505150906
Energy: 362.7852169259613
Energy: 365.5434637407993
Energy: 365.78220776586437
Energy: 366.6471251966337
Energy: 364.3900533423684
Energy: 361.99445754735905
Energy: 367.33677354052514
Energy: 365.83125098362154
Energy: 365.77470060240915
Energy: 363.62226544876944
Energy: 368.25443282533723
Energy: 367.69416471339173
Energy: 365.27261955201215
Energy: 365.57965349373706
Energy: 366.84698968146023
Energy: 366.26349700807145
Energy: 366.65361615959677
Energy: 366.9784675540938
Energy: 365.5215731877398
Energy: 368.18881544376603
Energy: 368.2930691998412
Energy: 367.44453787014106
Energy: 366.4135696852624
Energy: 367.42900517848983
Energy: 363.3808942916662
Energy: 366.2777713550943
Energy: 366.96856946733647
Energy: 366.07285835059815
Energy: 366.5272687026891
Energy: 363.21209130677414
Energy: 365.6448188564455
Energy: 367.5046893580239
Energy: 365.3180975753106
Energy: 366.75973426398974
Energy: 362.3970211970815
Energy: 367.89266759094863
Energy: 367.77617395162144
Energy: 366.08428473163934
Energy: 367.70896781457
Energy: 364.2971058416193
Energy: 364.79433391220516
Energy: 363.98781278155997
Energy: 366.21033918096805
Energy: 366.9198962086688
Energy: 365.353055467308
Energy: 367.5038422175486
Energy: 364.17734555991166
Energy: 364.454627056462
Energy: 367.2586601488029
Energy: 367.194395906253
Energy: 367.62365257889786
Energy: 363.6778571716468
Energy: 366.88232791841364
Energy: 366.48574114694804
Energy: 367.6901837205635
Energy: 364.6625253537896
Energy: 363.77720020233835
Energy: 367.35341887067887
Energy: 365.26741359942747
Energy: 367.5922078632192
Energy: 367.85213711111936
Energy: 367.7365881913018
Energy: 367.2198982398125
Energy: 366.0022147444886
Energy: 365.19150570711406
Energy: 367.34355638447175
Energy: 367.25168446044876
Energy: 365.64073281730555
Energy: 366.745182492389
Energy: 367.2732156000495
Energy: 360.50921323957454
Energy: 366.78961398529486
Energy: 366.8032076077698
Energy: 366.04558427811605
Energy: 367.08357449223206
Energy: 361.1571604898551
Energy: 367.14833855261963
Energy: 365.89274427446566
Energy: 366.186981594877
Energy: 362.4703022960354

minimum gb energy = 359.0061031458349 eV
minimum distance =  2.2822224537187 Angstroms
sigma value = 165


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

Energy: 472.4115547514482
Energy: 482.01429661126804
Energy: 479.017043686291
Energy: 478.951888727271
Energy: 478.4179755106882
Energy: 472.95868978249405
Energy: 479.2713672518871
Energy: 481.92206033666224
Energy: 481.0083825654046
Energy: 479.3661311879312
Energy: 478.47809303534694
Energy: 481.4522349365396
Energy: 482.6181671880971
Energy: 481.53585909383634
Energy: 481.61441144519154
Energy: 479.9939503361057
Energy: 481.5303184279995
Energy: 482.27419083985814
Energy: 481.85539922867486
Energy: 482.382189971284
Energy: 482.28018636399963
Energy: 480.93376751543855
Energy: 475.1281407494904
Energy: 479.5974971194262
Energy: 478.96426784539693
Energy: 482.01477294729443
Energy: 482.16374046090357
Energy: 481.533242995155
Energy: 482.3478340296386
Energy: 479.421103315504
Energy: 479.1014908732421
Energy: 482.90768053518485
Energy: 482.9214080794438
Energy: 479.24972407795127
Energy: 480.14969784386983
Energy: 481.3234128272664
Energy: 483.08175796700084
Energy: 480.31600417521025
Energy: 479.2630583928423
Energy: 476.64509457825346
Energy: 480.58052974424743
Energy: 475.0061844193314
Energy: 481.88033169040085
Energy: 482.05025350166125
Energy: 482.0251345403311
Energy: 482.328932022964
Energy: 474.86653497694607
Energy: 481.9704118447725
Energy: 480.85134678629214
Energy: 481.08234015140494
Energy: 475.2553908914774
Energy: 475.15306735532323
Energy: 479.1379646040899
Energy: 477.6402460961282
Energy: 480.5835125653885
Energy: 475.1709952972159
Energy: 475.1732806823879
Energy: 481.79859512655344
Energy: 477.6202554894515
Energy: 482.07818941956214
Energy: 480.03062257380003
Energy: 481.0389582261261
Energy: 482.65912177813965
Energy: 482.2124512810911
Energy: 482.09023203486447
Energy: 482.5685906799742
Energy: 482.39820040987536
Energy: 479.12944917120444
Energy: 480.56849126921946
Energy: 482.52565911052517
Energy: 473.48120425202535
Energy: 479.5406457398326
Energy: 481.07717450284713
Energy: 482.30285462344744
Energy: 481.91123507872055
Energy: 481.7535520843056
Energy: 482.55049526598043
Energy: 480.8727535603046
Energy: 482.42541321657814
Energy: 479.15659032058596
Energy: 481.72077795905454
Energy: 481.2547255767445
Energy: 482.11533471204956
Energy: 481.1899811582354
Energy: 482.5867361454673
Energy: 481.92115002072444
Energy: 482.301222668357
Energy: 480.3200196042674
Energy: 482.24083288291183
Energy: 480.72311886096855
Energy: 482.2141687580717
Energy: 481.3264676948187
Energy: 481.39750255091116
Energy: 482.26317642553767
Energy: 478.43263274934975
Energy: 482.38098575180805
Energy: 482.2855309250547
Energy: 479.04138076659194
Energy: 479.06285431578334
Energy: 481.7787935065545
Energy: 478.8375387986669
Energy: 480.81415844140025
Energy: 482.5076254990679
Energy: 482.42814170193753
Energy: 480.30524155367226
Energy: 482.2633158686929
Energy: 483.2861243191768
Energy: 482.51118025362297
Energy: 481.46337836542364
Energy: 476.7880760805556
Energy: 482.09707860691486
Energy: 483.43551734842777
Energy: 482.25603097432986
Energy: 481.81387664819374
Energy: 478.3240022830594
Energy: 479.71598440616975
Energy: 483.27454452296655
Energy: 480.1206073119537
Energy: 481.66463966273676
Energy: 479.3581476021544
Energy: 475.50936832849163
Energy: 476.82633889307556
Energy: 479.31721499979085
Energy: 481.43794272412237
Energy: 479.1015512468246
Energy: 475.6055914649967
Energy: 476.166023091811
Energy: 482.61314926344545
Energy: 481.49621956991905
Energy: 481.9859261023088
Energy: 482.51185702478887
Energy: 474.7686045894671
Energy: 481.4623416710164
Energy: 477.58949049148237
Energy: 480.5991669185536
Energy: 481.14498395861233
Energy: 475.26948718035595
Energy: 479.13597529518387
Energy: 478.3435660420756
Energy: 482.3565498710864
Energy: 479.9470240906366
Energy: 482.2896032689175
Energy: 482.503247816435
Energy: 481.87415485640884
Energy: 481.9850909087857
Energy: 478.2142384747704
Energy: 482.4474037851381
Energy: 481.00017631932104
Energy: 482.0403463590305
Energy: 480.9655538305467

minimum gb energy = 472.4115547514482 eV
minimum distance =  2.25034542335298 Angstroms
sigma value = 41


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

Energy: 545.8084025784096
Energy: 547.2902197466715
Energy: 547.2767538285622
Energy: 548.2791389983098
Energy: 549.4514432948866
Energy: 546.1600009849697
Energy: 548.1994085351785
Energy: 547.0077013611296
Energy: 547.061630412624
Energy: 544.5733456558366
Energy: 546.9862209478584
Energy: 548.4402388088299
Energy: 547.9966493939444
Energy: 548.1624918124875
Energy: 548.861090479941
Energy: 548.418097065886
Energy: 547.9384112083306
Energy: 548.2128440090125
Energy: 548.318573007146
Energy: 547.1299015498417
Energy: 546.9430270454271
Energy: 548.4815829467545
Energy: 548.4558180520714
Energy: 548.2608160008784
Energy: 548.2013443935826
Energy: 548.3079271534426
Energy: 547.5375748553796
Energy: 548.4772241236836
Energy: 548.3656857020171
Energy: 549.2234953607395
Energy: 547.0712874142448
Energy: 547.1294339262565
Energy: 546.7956448522499
Energy: 548.3067039673413
Energy: 544.6256565770842
Energy: 547.1244790192837
Energy: 546.9699988768289
Energy: 548.1998192559221
Energy: 547.9821070273597
Energy: 543.938324477429
Energy: 546.9349854844291
Energy: 546.5061876449269
Energy: 548.2945975059258
Energy: 548.4022964938589
Energy: 547.2582731548804
Energy: 547.1303902792972
Energy: 549.6428983562864
Energy: 546.7521057651376
Energy: 548.4903173138562
Energy: 547.0805923348177
Energy: 547.1157467064478
Energy: 546.0090892005564
Energy: 547.4900637292423
Energy: 547.1287058283115
Energy: 547.5027023842005
Energy: 548.4359241708922
Energy: 545.5156254650041
Energy: 549.0312303722678
Energy: 548.8666930035777
Energy: 546.9688822393582
Energy: 549.7045652258572
Energy: 548.2692390382182
Energy: 546.8959845433897
Energy: 548.7503980666592
Energy: 548.3287157699618
Energy: 548.5190530928834
Energy: 546.7385984217738
Energy: 546.8638415438013
Energy: 547.8128001530495
Energy: 548.682859270001
Energy: 546.0203763653974
Energy: 548.1425947949002
Energy: 548.1657047678519
Energy: 549.4187939407634
Energy: 548.31916525442
Energy: 546.3944549562274
Energy: 547.5681094932049
Energy: 548.1590321062096
Energy: 548.5730831303329
Energy: 548.3405514590423
Energy: 545.7079476846975
Energy: 547.1698839330668
Energy: 546.8256333501172
Energy: 547.5411531473229
Energy: 548.4495006558939
Energy: 546.0195836269089
Energy: 548.2589635489423
Energy: 548.1357997305065
Energy: 548.4317658268685
Energy: 547.6311483104706
Energy: 548.5021186335171
Energy: 548.1959169895636
Energy: 548.1398841408488
Energy: 548.2362321744389
Energy: 548.5169973987928
Energy: 547.1771513881913
Energy: 546.9300592802076
Energy: 547.6965891824796
Energy: 548.1661239292997
Energy: 547.0347929802105
Energy: 545.0902450659006
Energy: 547.1341142443682
Energy: 548.2728761717142
Energy: 547.4020701233048
Energy: 542.7143205382586
Energy: 545.7261427709276
Energy: 548.1435461564508
Energy: 548.2208209117024
Energy: 546.8925008976651
Energy: 542.286048398383
Energy: 547.7455347181306
Energy: 547.4628916364296
Energy: 548.3433095878651
Energy: 548.4323801654112
Energy: 548.0508571814875
Energy: 547.7296284817058
Energy: 548.2409384189145
Energy: 548.3065997114523
Energy: 547.1510075810728
Energy: 547.3967192366341
Energy: 548.4148774966243
Energy: 548.4915230285959
Energy: 547.5762353041755
Energy: 548.4610095239995
Energy: 549.688003404877
Energy: 548.3058481324418
Energy: 548.1303654720281
Energy: 548.1695595373777
Energy: 550.2259974998495
Energy: 548.7130140933663
Energy: 548.1991107537956
Energy: 546.960452957996
Energy: 547.9870553705024
Energy: 545.3082846741627
Energy: 545.2952365393927
Energy: 548.137830812505
Energy: 548.2930824678464
Energy: 548.5002253535445
Energy: 546.8128807127575
Energy: 545.1555881712444
Energy: 548.3065085031222
Energy: 548.2603918854658
Energy: 546.9307539457899
Energy: 549.129401810867
Energy: 547.6440398509525
Energy: 546.7766363754753
Energy: 546.7699485655746
Energy: 548.7067350972682
Energy: 550.6181385295881
Energy: 547.7535927637288
Energy: 549.6299872053725
Energy: 547.2424703123338
Energy: 546.6505904503925
Energy: 549.3144874411872
Energy: 548.4073685070291
Energy: 547.1636998180047
Energy: 548.4226988153437
Energy: 546.390689020247
Energy: 547.8770514500462
Energy: 547.3015680465453
Energy: 548.1575773866296
Energy: 547.5485842404872
Energy: 544.0053178913466
Energy: 546.6286712905263
Energy: 547.6127194057568
Energy: 548.4698439826259
Energy: 547.9328496549338
Energy: 543.6132530040474
Energy: 547.4706251315866
Energy: 548.4545554914498
Energy: 548.4630508429459
Energy: 546.7920717393886
Energy: 549.9004352768741
Energy: 548.4712847075028
Energy: 545.3899861157267
Energy: 548.4233503729146
Energy: 546.761342567566
Energy: 550.1590820479288
Energy: 547.1924697292066
Energy: 545.8548979909323
Energy: 547.0482344977737
Energy: 546.9796255015937
Energy: 547.7521151244109
Energy: 547.0121306474509
Energy: 545.9107166969642
Energy: 548.5146091994782
Energy: 547.6317566549052
Energy: 548.2228964069267
Energy: 548.4181130513788
Energy: 545.1422942051378
Energy: 548.2554075680878
Energy: 548.4901277861014
Energy: 547.3464560510979
Energy: 548.4608505487657
Energy: 549.2392020851595
Energy: 546.877348257922
Energy: 548.5151523806926
Energy: 548.1070327407356
Energy: 548.4043135707218
Energy: 546.8770470023048
Energy: 546.813984430586
Energy: 548.4235102469288
Energy: 547.4919558041584
Energy: 544.6222225252111
Energy: 545.4457782529535
Energy: 546.8104836286391
Energy: 548.9449667162745
Energy: 548.6287676929092
Energy: 546.9263898596483
Energy: 546.9671595841525
Energy: 548.5072195908319
Energy: 547.7812248312068
Energy: 548.6145789768511
Energy: 545.0238739514868
Energy: 548.2338801494531
Energy: 548.3020232597202
Energy: 547.7248080725846
Energy: 548.291063268241
Energy: 545.7168037359005
Energy: 547.0048155025015
Energy: 547.0739099868114
Energy: 548.4241082191845
Energy: 547.3285436892315
Energy: 550.3203764128124
Energy: 548.430087187993
Energy: 547.897543044553
Energy: 548.5347520030015
Energy: 548.5277753971759
Energy: 547.2942550420886
Energy: 548.2582931589744
Energy: 548.1971820352834
Energy: 548.3645992249678
Energy: 543.694042474003
Energy: 543.7810551922856
Energy: 548.3202087393108
Energy: 548.2018281447321
Energy: 547.7336773244068
Energy: 543.2364229679179
Energy: 545.3175255985954
Energy: 547.5947657415447
Energy: 548.2719826281578
Energy: 548.6489229916432
Energy: 551.0911773901661
Energy: 547.1682303287149
Energy: 547.7404489752163
Energy: 548.0308555042487
Energy: 548.4696799441381
Energy: 551.3655962796585
Energy: 548.4682943999727
Energy: 548.1903195740935
Energy: 548.4063294083251
Energy: 546.8290264863165
Energy: 545.3044763484146
Energy: 547.6233932461464
Energy: 547.4671733021661
Energy: 546.7935428248534
Energy: 550.0339052985266
Energy: 545.0761879394336
Energy: 548.3461063962972
Energy: 548.4863543313912
Energy: 546.7411908183655
Energy: 544.272907771249
Energy: 545.1419950872142
Energy: 548.2908244867837
Energy: 548.3795054478525
Energy: 548.2304345977968
Energy: 544.2264275421038
Energy: 545.5235599568715
Energy: 548.2887142747761
Energy: 548.2765669603638
Energy: 548.337046887276
Energy: 550.1020652884658
Energy: 548.5647138211436
Energy: 548.2106637143612
Energy: 548.4498058738533
Energy: 546.933517789916
Energy: 550.2053664180099
Energy: 548.448578404848
Energy: 548.515120014103
Energy: 548.3882003280589
Energy: 547.4768943445183
Energy: 544.4110206778209
Energy: 548.4861787067201
Energy: 547.911209691293
Energy: 547.6349801218036
Energy: 546.939977023871
Energy: 544.3193200215203
Energy: 548.4551096157344
Energy: 549.3093668144837
Energy: 548.3287158838397
Energy: 548.4858976188716
Energy: 543.9279300338907
Energy: 548.4634512063242
Energy: 548.8263596064062
Energy: 546.7233840616335
Energy: 547.8771330993736
Energy: 546.5056687201009
Energy: 548.5491267465886
Energy: 548.9511451254288
Energy: 547.4843285532883
Energy: 549.1434738592452
Energy: 547.4262177771939
Energy: 546.9337501982975
Energy: 546.8265333938244
Energy: 546.8082664892105
Energy: 548.6040000115152
Energy: 548.4667745772815
Energy: 545.2960354171491
Energy: 548.2548423391715
Energy: 546.8510020562788
Energy: 547.6032036579697
Energy: 548.4275853010079
Energy: 548.5458177492128
Energy: 548.4172318994256
Energy: 548.5423604088347
Energy: 548.7067667217939
Energy: 548.4109538135723
Energy: 545.8099566921737
Energy: 548.3177436572032
Energy: 547.6844039392056
Energy: 549.7233863003578
Energy: 547.0535964608027
Energy: 548.4044029703716
Energy: 546.6989811129474
Energy: 546.8704084077567
Energy: 548.5078643270408
Energy: 548.1214618995173
Energy: 550.2748337878342
Energy: 548.3466741633678
Energy: 548.3880365461082
Energy: 548.1395497745866
Energy: 546.0320363843347
Energy: 546.2617264084897
Energy: 546.7665205350298
Energy: 547.846590488434
Energy: 547.1410296775814
Energy: 546.1954649227806
Energy: 545.8479968861319
Energy: 546.9218678148034
Energy: 548.2092434979495
Energy: 548.5721647889239
Energy: 548.8945022111683
Energy: 548.3787501018408
Energy: 546.9796846604711
Energy: 546.8992082872816
Energy: 547.0851774143702
Energy: 550.3613535909883
Energy: 548.1950972911408
Energy: 547.5589885449957
Energy: 548.4074067387609
Energy: 548.3397865065418
Energy: 547.1836246522856
Energy: 547.8322117329468
Energy: 546.9043598465922
Energy: 547.9374332261929
Energy: 548.5142270862857
Energy: 545.7108058451961
Energy: 546.9533575727896
Energy: 547.7979189872938
Energy: 547.2313429901385
Energy: 545.2257040022726
Energy: 543.2084625381766
Energy: 547.9615236216742
Energy: 548.1272142734647
Energy: 548.370142918628
Energy: 545.1942518483547
Energy: 543.4967182911817
Energy: 548.7222789980872
Energy: 547.1030768987979
Energy: 546.8904785047489
Energy: 548.5783275211944
Energy: 548.6642144121882
Energy: 548.2089666637097
Energy: 548.2458058666091
Energy: 547.1774768043742
Energy: 550.542223993514
Energy: 547.0337838162122
Energy: 548.3804844730105
Energy: 548.2831237228002
Energy: 547.7098928560551
Energy: 544.8617941365724
Energy: 547.9587558652745
Energy: 548.418567292312
Energy: 547.6093968499861
Energy: 547.2502456605572
Energy: 545.4588870298148
Energy: 547.5523319434993
Energy: 546.9436883538796
Energy: 548.2204324776802
Energy: 547.325000212351

minimum gb energy = 542.286048398383 eV
minimum distance =  2.32360230095492 Angstroms
sigma value = 185


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

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Energy: 465.87773387707995
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Energy: 465.4688822297648
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Energy: 460.94115150321295
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Energy: 468.3007323488236
Energy: 466.8579339256178
Energy: 468.66222802052016
Energy: 468.40857361020323
Energy: 466.6900118324414
Energy: 471.11656586290223
Energy: 467.4927776295755
Energy: 466.21866714286415
Energy: 467.2242407419977
Energy: 469.210267134744
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Energy: 465.37845891848065
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Energy: 468.12930650620575
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Energy: 460.57036261325555
Energy: 464.9371493885877
Energy: 470.00949882494547
Energy: 468.8354752858787
Energy: 459.36658124095175

minimum gb energy = 458.4998232635117 eV
minimum distance =  2.40742620969335 Angstroms
sigma value = 33


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

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Energy: 421.3750117171334
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Energy: 423.48508652957065
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Energy: 422.8566214246037
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Energy: 421.20241543064355
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Energy: 422.81389487215006
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Energy: 419.8565527409575
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Energy: 421.9661947180135
Energy: 423.4806569371336
Energy: 422.35963173450267
Energy: 423.200489742118
Energy: 422.6122487695106
Energy: 423.3208895750239
Energy: 419.6265816962415
Energy: 422.77611583909066
Energy: 423.46617641284206
Energy: 420.98733435300574
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Energy: 420.7581423553629
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Energy: 418.917155438059
Energy: 418.9708162092978
Energy: 423.04826378659305
Energy: 423.1946748059911
Energy: 421.15212632811256
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Energy: 423.33505932720044
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Energy: 421.9258922524803
Energy: 425.1838319814263
Energy: 422.4337127042285
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Energy: 421.76707963771634
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Energy: 423.1923900133833
Energy: 423.74119922016854
Energy: 423.60816080633913
Energy: 421.35540181412716
Energy: 419.65727881914444
Energy: 422.9390242992837
Energy: 423.90088756679546
Energy: 422.6047777994787
Energy: 420.46820783009224
Energy: 417.2492297980495
Energy: 422.8060837818541
Energy: 422.78555052880955
Energy: 423.15983621078306
Energy: 422.5181531325248
Energy: 418.7218186935752
Energy: 422.0910068958479
Energy: 422.52804661404366
Energy: 422.51395234188277
Energy: 424.6932310313123
Energy: 425.15833047616184
Energy: 422.5218241018851
Energy: 421.18679817713087
Energy: 423.15467080528026
Energy: 423.921490878053
Energy: 422.2946750112625
Energy: 422.6967561319985
Energy: 422.85636839610595
Energy: 421.95310206483117
Energy: 417.1966584389933
Energy: 422.5469232829759
Energy: 423.4119048156821
Energy: 422.7190175197071
Energy: 418.9653313396285
Energy: 416.8538987876253
Energy: 421.3499423812421
Energy: 422.7531696050701
Energy: 423.2161372155999
Energy: 418.98044591153507

minimum gb energy = 415.0831760227092 eV
minimum distance =  2.38636891639304 Angstroms
sigma value = 219


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

Energy: 376.6025703004473
Energy: 387.2041996568881
Energy: 385.3296725903732
Energy: 385.14700012805207
Energy: 383.08713909322853
Energy: 376.9734607457245
Energy: 386.5902682309835
Energy: 387.0708690840483
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Energy: 388.1690571914444
Energy: 387.04310330587197
Energy: 384.9385298815726
Energy: 386.4109754774069
Energy: 386.67147453960274
Energy: 388.15180429156766
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Energy: 382.543012032245
Energy: 386.08812607160405
Energy: 386.2921887533803
Energy: 386.33640762636907
Energy: 385.00401189261885
Energy: 385.55787124524215
Energy: 385.6966329680686
Energy: 378.48092758680957
Energy: 387.1153580677919
Energy: 386.8063162205829
Energy: 387.02367636123284
Energy: 386.84506881756164
Energy: 380.3307250569248
Energy: 379.55394840366176
Energy: 387.0582550070274
Energy: 386.68587798878104
Energy: 387.4397786537529
Energy: 378.3017373754153
Energy: 384.3867696712173
Energy: 386.21788659876376
Energy: 382.5514797068397
Energy: 385.1985112083534
Energy: 381.494199519668
Energy: 385.4741561616146
Energy: 384.89961154180156
Energy: 383.1894750584375
Energy: 384.79438170745146
Energy: 385.76479220392935
Energy: 382.6521974225417
Energy: 382.50202814821847
Energy: 382.1145692073983
Energy: 387.146408283367
Energy: 386.3856385563527
Energy: 383.82047098605375
Energy: 386.8919524737224
Energy: 386.0621452255857
Energy: 378.95537948890967
Energy: 386.9701816524884
Energy: 385.30009365030253
Energy: 383.82580812065015
Energy: 385.960342187316
Energy: 379.7910162552377
Energy: 385.6576343731344
Energy: 380.95981706139906
Energy: 382.86399514480865
Energy: 384.6570514355463
Energy: 388.195588099614
Energy: 386.53556695078555
Energy: 382.6685228761599
Energy: 383.87281532643846
Energy: 383.817000316424
Energy: 379.67736971123674
Energy: 386.60156233100184
Energy: 385.7064142761121
Energy: 383.0256440579949
Energy: 386.7790304877453
Energy: 385.94204301984115
Energy: 382.27068603402375
Energy: 387.39441049350035
Energy: 381.3056822559927
Energy: 386.9347280231911
Energy: 383.25769971671605
Energy: 384.6685486254876
Energy: 381.3655184625064
Energy: 386.6479243171788
Energy: 385.3970685183225
Energy: 384.14724256632826
Energy: 385.6621538489788
Energy: 381.1533434497755
Energy: 387.2485847233192
Energy: 385.89754498304853
Energy: 384.58483494681315
Energy: 385.06248078311893

minimum gb energy = 376.6025703004473 eV
minimum distance =  2.29256562378715 Angstroms
sigma value = 15


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

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Energy: 691.8269506408636
Energy: 692.967630489942
Energy: 692.1517570148065
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Energy: 690.9886862588377
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Energy: 691.7690153158475
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Energy: 691.2121851675153
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Energy: 693.2393264068571
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Energy: 690.5987272438981
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Energy: 692.2224379520788
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Energy: 684.2067997417245
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Energy: 690.7523090162547
Energy: 685.8310826831377
Energy: 692.1249102497967
Energy: 692.096831078395
Energy: 692.6659242164383
Energy: 692.7340913380666
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Energy: 692.0061232972822
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Energy: 691.1020691714486
Energy: 691.7518341312478
Energy: 690.6418729928382
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Energy: 690.401189504631
Energy: 690.2405055066353
Energy: 691.7547748972132
Energy: 690.4759145975515
Energy: 688.347997314379
Energy: 692.6342757934855
Energy: 692.722462161061
Energy: 692.8214222916221
Energy: 691.5119483834335
Energy: 686.7640381323259
Energy: 690.3400066268815
Energy: 688.593747637039
Energy: 687.8366751156121
Energy: 691.9135915465856
Energy: 692.641708911257
Energy: 689.9951245816349
Energy: 686.6478205604134
Energy: 687.610989320013
Energy: 690.86727158873
Energy: 692.0937579307268
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Energy: 688.3903195236638
Energy: 691.3096279443174
Energy: 690.8713531550416
Energy: 692.4406310858234
Energy: 690.4152829430856
Energy: 688.4264724939645
Energy: 687.5306616769552
Energy: 692.2168098064438
Energy: 689.1799517885637
Energy: 688.4660147246354
Energy: 688.7589122852746
Energy: 691.5597898691814
Energy: 692.3404083725228
Energy: 690.4970472461873
Energy: 689.5424196911481
Energy: 689.5818200610514
Energy: 692.5091414139637
Energy: 688.4805787836171
Energy: 691.0068977471606
Energy: 693.0374109639833
Energy: 684.2543510062352
Energy: 691.6318532100821
Energy: 692.6460997020315
Energy: 693.0939510183413
Energy: 690.1926427030608
Energy: 684.5378901098782
Energy: 693.2264999307524
Energy: 687.3869425926505
Energy: 692.5034371221564
Energy: 686.5784949592903
Energy: 692.1438537863033
Energy: 690.7000396343035
Energy: 687.4277928237416
Energy: 689.818407508008
Energy: 693.1425906935237
Energy: 689.9226840846549
Energy: 691.006823482346
Energy: 687.3508456819698
Energy: 689.1332187552177
Energy: 688.4159410299831
Energy: 692.0247001795069
Energy: 688.5434449280604
Energy: 690.2350899433048
Energy: 691.2229970265843
Energy: 692.358146655312
Energy: 688.5565990834211
Energy: 692.9297213946091
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Energy: 693.2293258425943
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Energy: 684.4331212651093
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Energy: 689.4326493338655
Energy: 689.3339192260621
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Energy: 684.3328196748635
Energy: 686.8079850523753
Energy: 692.2531544617656
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Energy: 691.4426644309644
Energy: 692.6016876196627
Energy: 688.3975008734176
Energy: 688.3857301197768
Energy: 691.0713534138611
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Energy: 691.1080796004851
Energy: 692.6455883792804
Energy: 692.8034044349833
Energy: 691.9372509769167
Energy: 690.9700298027321
Energy: 691.6513716976025
Energy: 692.3328344797252
Energy: 690.9729664593798
Energy: 691.7015698205595
Energy: 689.7474378346094
Energy: 691.9000849453028
Energy: 689.3399433591236
Energy: 683.9608082947599
Energy: 691.0938207346546
Energy: 692.7650115589109
Energy: 689.2044677393027
Energy: 693.6365733513388
Energy: 683.5773633742787
Energy: 692.6143048005663
Energy: 690.7823223192123
Energy: 690.8729611767985
Energy: 688.9913435950879

minimum gb energy = 683.0711342241473 eV
minimum distance =  2.30002408614607 Angstroms
sigma value = 293


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

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Energy: 427.999510373799
Energy: 427.4340197559891
Energy: 426.90617700033283
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Energy: 427.8560106189205
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Energy: 427.318113726953
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Energy: 422.6597349162226
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Energy: 427.2668814211623
Energy: 427.08383672258253
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Energy: 419.3866433183753
Energy: 424.8544065823936
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Energy: 427.1592969156517
Energy: 427.7756852758953
Energy: 422.5154791649325
Energy: 421.8253472322588
Energy: 421.69979799470656
Energy: 427.58337226757226
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Energy: 422.5042246445001
Energy: 427.70065088592776
Energy: 427.8882186226534
Energy: 427.03096268950264
Energy: 425.212178282375
Energy: 427.78979992520624
Energy: 426.8271160681642
Energy: 426.64315201891935
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Energy: 417.67792151665026
Energy: 424.352293966325
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Energy: 424.0609427113396
Energy: 417.733988027212
Energy: 427.4641035429053
Energy: 425.9977495287376
Energy: 427.7275415953953
Energy: 423.3688999548724

minimum gb energy = 417.32362200564694 eV
minimum distance =  2.31805557945858 Angstroms
sigma value = 293


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

Energy: 387.6640183054864
Energy: 398.3746155589541
Energy: 399.347131390933
Energy: 391.88333220323085
Energy: 388.2842819270963
Energy: 387.7358741079121
Energy: 397.0785757150819
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Energy: 398.18786053860634
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Energy: 399.21232934958505
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Energy: 401.3371086568891
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Energy: 387.8908738566872
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Energy: 397.16795922239737
Energy: 400.1176844739577
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Energy: 383.9657082915498
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Energy: 390.56688730480215
Energy: 387.8863516762706
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Energy: 399.1064545707089
Energy: 388.2513710806779
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Energy: 399.20305582168515
Energy: 397.70810374413827
Energy: 399.7032974730732
Energy: 396.6558752897265
Energy: 396.17915879703776
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Energy: 388.93785406237294
Energy: 398.2152398293052
Energy: 397.1959881921225
Energy: 397.0473786489603
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Energy: 391.0873157239422
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Energy: 383.9891810945347
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Energy: 395.6426750228799
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Energy: 388.39984492105276
Energy: 398.05158048426665
Energy: 398.05928598440073
Energy: 397.6332910128269
Energy: 391.1425762670439
Energy: 388.2899652299674
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Energy: 400.295200418199
Energy: 399.15314822866145
Energy: 397.206928050611
Energy: 388.1066604899862
Energy: 400.2506922655886
Energy: 397.9059822578836
Energy: 400.0054697458164
Energy: 401.24972785968043
Energy: 399.90896937411225
Energy: 396.9436686542649
Energy: 398.08917466527726
Energy: 394.9160963412388
Energy: 392.8350990830801
Energy: 399.60525656257
Energy: 401.03888186577586
Energy: 390.61435088880864
Energy: 395.1867253155407
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Energy: 392.6476911987494
Energy: 398.65142220730587
Energy: 401.436434214854
Energy: 399.9477372143324
Energy: 400.5869369762067
Energy: 400.06682842729435
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Energy: 398.99578194555374
Energy: 387.9317521786085
Energy: 399.78095677616244
Energy: 383.9552557924946
Energy: 400.8776270408761
Energy: 400.08184436244386

minimum gb energy = 383.8397102551655 eV
minimum distance =  2.28091046424137 Angstroms
sigma value = 15


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

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Energy: 516.2606264545822
Energy: 516.098795125507
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Energy: 511.4120952885647
Energy: 517.6106025576236
Energy: 516.6663519752949
Energy: 514.3386649914391
Energy: 516.7403834687312

minimum gb energy = 509.04972659079414 eV
minimum distance =  2.29241467519204 Angstroms
sigma value = 437


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

Energy: 559.2534967213508
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Energy: 564.905988440394
Energy: 560.4698558067029
Energy: 565.5385460344525
Energy: 569.1434208957392
Energy: 569.901599111489
Energy: 567.29002926246
Energy: 560.5272310481569
Energy: 568.4148214856348
Energy: 564.4429014078469
Energy: 565.4746711647199
Energy: 563.1945567856858
Energy: 560.5463458839769
Energy: 566.8088376092626
Energy: 567.0701836052132
Energy: 567.1430555704019
Energy: 568.7526587583976
Energy: 565.9887951331299
Energy: 566.7111283813524
Energy: 567.1165612630939
Energy: 564.0573764531911
Energy: 569.1743502945789
Energy: 567.1519893442082
Energy: 569.1111447981151
Energy: 567.0252625769979
Energy: 569.0380269950001
Energy: 565.860636555489
Energy: 569.2900322004793
Energy: 566.1386286606412
Energy: 569.6968296555627
Energy: 569.2702959680659
Energy: 566.933628626941
Energy: 568.8067403155055
Energy: 569.2535351523709
Energy: 569.3448645599691
Energy: 566.8983641407858
Energy: 569.6022982967675
Energy: 569.935691442582
Energy: 565.1723189950259
Energy: 564.4932927316046
Energy: 569.852996069287
Energy: 567.1831235418442
Energy: 569.7910782159591
Energy: 562.9020151627964
Energy: 563.0872216581441
Energy: 569.0683089030093
Energy: 564.212437134407
Energy: 567.091234965314
Energy: 570.0464058932777
Energy: 569.0956830048848
Energy: 566.3010288956942
Energy: 562.7716492430211
Energy: 569.0454434581941
Energy: 569.5379336809586
Energy: 565.3473260839537
Energy: 562.2250127724445

minimum gb energy = 559.2534967213508 eV
minimum distance =  2.26554060634562 Angstroms
sigma value = 33