Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450350014636681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.022235780137661698
Energy: 1.4567925524688294
Energy: 0.5638052050412444
Energy: 1.4453631229338926
Energy: 0.022235780137661698
Energy: 1.4567950427081735
Energy: 0.5674894378355314
Energy: 1.252798930724448
Energy: 0.0226036368636284
Energy: 2.0728409468975375
Energy: 0.9777353211373282
Energy: 1.2527989307218075
Energy: 0.02259676415424385
Energy: 2.072840946900178
Energy: 0.022235780137661698
Energy: 1.4567959410460698
Energy: 0.5638856311794782
Energy: 1.4456802698468725
Energy: 0.022235780137661698
Energy: 1.4567933014827332
Energy: 0.5637969774066989
Energy: 1.252798930724448
Energy: 0.022608467780725082
Energy: 2.072840946900178
Energy: 0.9777353212376734
Energy: 1.2527989307218075
Energy: 0.022601475359819174
Energy: 2.072840946900178
Energy: 0.022235780137661698
Energy: 1.456793485146526
Energy: 0.5638032928137571
Energy: 1.4451358458842407
Energy: 0.022235780137661698
Energy: 1.4567950260688067
Energy: 0.567634730345991
Energy: 1.252798930724448
Energy: 0.022593503542161247
Energy: 2.072840946900178
Energy: 0.97773532130363
Energy: 1.2527989307218075
Energy: 0.022594908337950532
Energy: 2.072840946900178

minimum gb energy = 0.022235780137661698 eV
minimum distance =  2.34037743437906 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.370654366435814
Energy: 2.600058356541261
Energy: 2.771278549801786
Energy: 2.6261307265822458
Energy: 2.370654366429362
Energy: 2.6000583565444875
Energy: 2.771278549805012
Energy: 2.252448411809894
Energy: 2.4246788465165694
Energy: 2.725008336279194
Energy: 2.4181288528939007
Energy: 2.25244841181312
Energy: 2.4246788465165694
Energy: 2.725008336279194
Energy: 2.2562747105188365
Energy: 2.2563268747970393
Energy: 2.660517845840971
Energy: 2.362349867808623
Energy: 2.2562747105188365
Energy: 2.256326874790587
Energy: 2.660517845840971
Energy: 2.5212376626088777
Energy: 2.724253551010259
Energy: 2.687990764971912
Energy: 2.58808224603473
Energy: 2.521237662586295
Energy: 2.724253551013485
Energy: 2.687990764971912
Energy: 2.5688104263103195
Energy: 2.3942389510266033
Energy: 2.669306957571545
Energy: 2.335512495782164
Energy: 2.5688104263070937
Energy: 2.394238951023377
Energy: 2.669306957574771
Energy: 2.341492232907549
Energy: 2.516810661438584
Energy: 2.5156337678795015
Energy: 2.4515651814439883
Energy: 2.341492232930073
Energy: 2.516810661451488
Energy: 2.5156337678795015
Energy: 2.3308239936242776
Energy: 2.5701668073740622
Energy: 2.6590266991818083
Energy: 2.418495985750104
Energy: 2.3308239936242776
Energy: 2.570166807370836
Energy: 2.673655048313641
Energy: 2.368433187764602
Energy: 2.4905560270313614
Energy: 2.64318152281477
Energy: 2.3394842096142874
Energy: 2.368433187764602
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Energy: 2.643181522805092
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Energy: 2.52182949774747
Energy: 2.680666497868743
Energy: 2.5095350885470697
Energy: 2.158432492054596
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Energy: 2.4381400745231505
Energy: 2.6439011399457164
Energy: 2.5402448168736345
Energy: 2.4800186973932554
Energy: 2.438140074519924
Energy: 2.64390113994249
Energy: 2.302723985540676
Energy: 2.3830422631544184
Energy: 2.5541848583047733
Energy: 2.427456776874232
Energy: 2.302723985540676
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Energy: 2.5541848583079996
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Energy: 2.823620578946456
Energy: 2.4196878593988647
Energy: 2.435562655466531
Energy: 2.373035309704192
Energy: 2.8236205789496824
Energy: 2.5405564497975166
Energy: 2.5589607076014125
Energy: 2.69863216083145
Energy: 2.649920696631036
Energy: 2.5405564498071946
Energy: 2.558960707598186
Energy: 2.6986321608346757
Energy: 2.076054721958745
Energy: 2.3521686595581994
Energy: 2.7652207120221837
Energy: 2.31424960872798
Energy: 2.076054721958745
Energy: 2.3521686595614253
Energy: 2.7652207120221837
Energy: 2.256247325926548
Energy: 2.61302721742342
Energy: 2.6172790034900544
Energy: 2.382375992375668
Energy: 2.256247325923322
Energy: 2.613027217429872
Energy: 2.6172790034932807
Energy: 2.4350407666402085
Energy: 2.6877469827417793
Energy: 2.95555366856378
Energy: 2.627256655019474
Energy: 2.435040766646661
Energy: 2.687746982745005
Energy: 2.9555536685670063
Energy: 2.1762131648692065
Energy: 2.4901253353017414
Energy: 2.6718377985159196
Energy: 2.366058725259735
Energy: 2.1762131648659806
Energy: 2.4901253353017414
Energy: 2.671837798519146
Energy: 2.299370761052425
Energy: 2.2019051911182714
Energy: 2.7163933191643084
Energy: 2.4103933621375653
Energy: 2.299370761049199
Energy: 2.2019051911182714
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Energy: 2.460031819756632
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Energy: 2.418174013693068
Energy: 2.460031819759858
Energy: 2.681282408068231
Energy: 2.488749858157015
Energy: 2.426174198167216
Energy: 2.6426878882968454
Energy: 2.3903307489533883
Energy: 2.488749858157015
Energy: 2.426174198167216
Energy: 2.6426878882968454
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Energy: 2.535640863994629
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Energy: 2.4809844360336046
Energy: 2.370947738429137
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Energy: 2.41890540182071
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Energy: 2.3769588562312807
Energy: 2.41890540182071
Energy: 2.536287149527511
Energy: 2.6586384630505706
Energy: 2.359984820004052
Energy: 2.358864412486677
Energy: 2.63643445451249
Energy: 2.3019812608818357
Energy: 2.3599848199976
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Energy: 2.2763757974566916
Energy: 2.6091429448985926
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Energy: 2.722066364195508
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Energy: 2.4637482807347895
Energy: 2.7106776697158916
Energy: 2.5439867835443932
Energy: 2.474612913742969
Energy: 2.4637482807380153
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Energy: 2.3528514307522395
Energy: 2.3815604509225783
Energy: 2.65207187098397
Energy: 2.5328985921866938
Energy: 2.3528514307554658
Energy: 2.3815604509258046
Energy: 2.65207187098397
Energy: 2.332476298609771
Energy: 2.3195129922885522
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Energy: 2.3875571488400804
Energy: 2.332476298619449
Energy: 2.3195129922853264
Energy: 2.760572898422156
Energy: 2.5536712750780355
Energy: 2.6151933711889663
Energy: 2.7902948339469917
Energy: 2.4971704863072848
Energy: 2.5536712750780355
Energy: 2.6151933711889663
Energy: 2.7902948339437654
Energy: 2.1810039665340684
Energy: 2.403277850172094
Energy: 2.6466009213352533
Energy: 2.206539463679705
Energy: 2.1810039665340684
Energy: 2.403277850172094
Energy: 2.6466009213352533
Energy: 2.2608649371183227
Energy: 2.499037398983251
Energy: 2.6075122517044855
Energy: 2.3915004848838173
Energy: 2.2608649371150964
Energy: 2.499037398983251
Energy: 2.607512251707712
Energy: 2.566704654515202
Energy: 2.553946681570654
Energy: 2.7164962190940476
Energy: 2.560147059015309
Energy: 2.566704654515202
Energy: 2.553946681567428
Energy: 2.7164962190940476
Energy: 2.268080086796139
Energy: 2.571188931851687
Energy: 2.7123282281067898
Energy: 2.488106998148535
Energy: 2.268080086786461
Energy: 2.5711889318549135
Energy: 2.7123282281035634
Energy: 2.394248185023141
Energy: 2.2872657571536856
Energy: 2.618199869068638
Energy: 2.3958822517222003
Energy: 2.3942481850199147
Energy: 2.2872657571504593
Energy: 2.618199869071864
Energy: 2.5179535409096667
Energy: 2.4074035293352045
Energy: 2.58813140535582
Energy: 2.492242703965437
Energy: 2.5179535409161184
Energy: 2.4074035293352045
Energy: 2.58813140535582
Energy: 2.3167334736396445
Energy: 2.5061412586263807
Energy: 2.636193796531296
Energy: 2.4010900297711877
Energy: 2.316733473633192
Energy: 2.5061412586231544
Energy: 2.636193796531296
Energy: 2.507021264585471
Energy: 2.5765022283935695
Energy: 2.6357095932770926
Energy: 2.3898518894632095
Energy: 2.5070212645822445
Energy: 2.5765022283935695
Energy: 2.6357095932738663
Energy: 2.2684404323830645
Energy: 2.519390402151838
Energy: 2.6304220229238044
Energy: 2.341096415795847
Energy: 2.268440432379838
Energy: 2.5193904021421596
Energy: 2.6304220229205786
Energy: 2.1655780194186223
Energy: 2.2900797130884314
Energy: 2.7064271963271986
Energy: 2.234115787979093
Energy: 2.16557801941217
Energy: 2.2900797130884314
Energy: 2.7064271963271986
Energy: 2.1550252723018604
Energy: 2.5101280756325965
Energy: 2.6517403027560107
Energy: 2.664540842614948
Energy: 2.1550252723018604
Energy: 2.5101280756293702
Energy: 2.651740302759237
Energy: 2.378613041714076
Energy: 2.552800887674501
Energy: 2.8211063119231916
Energy: 2.6873592723135964
Energy: 2.3786130417108504
Energy: 2.552800887674501
Energy: 2.8211063119295856
Energy: 2.319926758068244
Energy: 2.4442257968711822
Energy: 2.5827324815222497
Energy: 2.503626542916976
Energy: 2.319926758068244
Energy: 2.4442257968711822
Energy: 2.5827324815222497
Energy: 2.29742483947659
Energy: 2.452842032517814
Energy: 2.8247459451389982
Energy: 2.3857247297377464
Energy: 2.2974248394798162
Energy: 2.452842032517814
Energy: 2.8247459451422245
Energy: 2.4678713070510794
Energy: 2.7665402079951993
Energy: 2.712353918754779
Energy: 2.4891734165147397
Energy: 2.4678713070510794
Energy: 2.7665402079951993
Energy: 2.7123539187580046
Energy: 2.2417681372600065
Energy: 2.392975833711945
Energy: 2.719976581496213
Energy: 2.3407662575578105
Energy: 2.241768137269626
Energy: 2.392975833711945
Energy: 2.719976581499381
Energy: 2.2014996254274095
Energy: 2.3648765032706796
Energy: 2.5853767761488733
Energy: 2.3656825347157118
Energy: 2.201499625424183
Energy: 2.364876503264227
Energy: 2.585376776145647
Energy: 2.5236058621980217
Energy: 2.4732396288041665
Energy: 2.7894604687142053
Energy: 2.5530734733199836
Energy: 2.523605862204474
Energy: 2.4732396288073923
Energy: 2.789460468710979
Energy: 2.1109403411421557
Energy: 2.4943005613512605
Energy: 2.68238134120075
Energy: 2.5558578419387175
Energy: 2.1109403411421557
Energy: 2.4943005613512605
Energy: 2.6823813412072024

minimum gb energy = 2.076054721958745 eV
minimum distance =  2.26627835329639 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.2861219729703897
Energy: 2.3516937074518482
Energy: 2.818336436810614
Energy: 2.4085325413865415
Energy: 2.2861219729667273
Energy: 2.3516937074518482
Energy: 2.818336436810614
Energy: 2.268243970555767
Energy: 2.309071006454575
Energy: 2.64697154805465
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Energy: 2.309071006454575
Energy: 2.6469715480253546
Energy: 2.3154307708916684
Energy: 2.5157120020472066
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Energy: 2.2958782824062625
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Energy: 2.577724327849375
Energy: 2.196004771698648
Energy: 2.9349482700354357
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Energy: 2.5229263410640406
Energy: 2.593186781245691
Energy: 2.7186188943888188
Energy: 2.3612471998658267
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Energy: 2.593186781249353
Energy: 2.718618894396076
Energy: 2.4901434043940256
Energy: 2.5083693586636318
Energy: 2.6325711693277993
Energy: 2.4772775171626504
Energy: 2.4901434043940256
Energy: 2.5083693586599702
Energy: 2.689743822941555
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Energy: 2.3775320816953536
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Energy: 2.4100173240673577
Energy: 2.7905564567223964
Energy: 2.24758844047645
Energy: 2.2920284987563715
Energy: 2.8241105670731166
Energy: 2.3183420825640733
Energy: 2.2475884404727884
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Energy: 2.837598742610169
Energy: 2.219880788527516
Energy: 2.3516937074518482
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Energy: 2.219880788527516
Energy: 2.3516937074555107
Energy: 2.818336436810614
Energy: 2.268243970555767
Energy: 2.309071006454575
Energy: 2.64697154807296
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Energy: 2.268243970555767
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Energy: 2.2958782824062625
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Energy: 2.7186188943888188
Energy: 2.3612471998658267
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Energy: 2.593186781249353
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Energy: 2.508369358648985
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Energy: 2.6427660106837805
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Energy: 2.4554154368841337
Energy: 2.6993810248468133
Energy: 2.6235007950280558
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Energy: 2.4554154368841337
Energy: 2.6993810248394894
Energy: 2.4149940633949214
Energy: 2.5570283322579836
Energy: 2.6975852460202603
Energy: 2.5297178610324975
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Energy: 2.5570283322579836
Energy: 2.6975852460165983
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Energy: 2.4100173240673577
Energy: 2.7905564567260583
Energy: 2.3494810036482003
Energy: 2.2130574733331025
Energy: 2.4100173240673577
Energy: 2.7905564567223964
Energy: 2.232149873511236
Energy: 2.2920284987563715
Energy: 2.837598742613831
Energy: 2.3183420825604113
Energy: 2.232149873514898
Energy: 2.292028498760034
Energy: 2.837598742610169
Energy: 2.2861219729703897
Energy: 2.3516937074555107
Energy: 2.818336436810614
Energy: 2.4085325413865415
Energy: 2.2861219729667273
Energy: 2.3516937074555107
Energy: 2.818336436810614
Energy: 2.268243970555767
Energy: 2.309071006454575
Energy: 2.646971548069298
Energy: 2.473590970670146
Energy: 2.268243970555767
Energy: 2.309071006454575
Energy: 2.646971548029016
Energy: 2.3154307708916684
Energy: 2.5157120020472066
Energy: 2.6674370369169353
Energy: 2.380957045927644
Energy: 2.3154307708916684
Energy: 2.5157120020435446
Energy: 2.6674370369169353
Energy: 2.6492194202904287
Energy: 2.798155858734885
Energy: 2.577724327853037
Energy: 2.2958782824026005
Energy: 2.649219420294091
Energy: 2.798155858738547
Energy: 2.577724327853037
Energy: 2.196004771694986
Energy: 2.9349482700390976
Energy: 2.5190041799755307
Energy: 2.3524469388312905
Energy: 2.196004771698648
Energy: 2.9349482700354357
Energy: 2.5190041799755307
Energy: 2.5229263410640406
Energy: 2.593186781245691
Energy: 2.7186188943888188
Energy: 2.3612471998658267
Energy: 2.5229263410567166
Energy: 2.593186781249353
Energy: 2.718618894396076
Energy: 2.490143404397687
Energy: 2.5083693586416604
Energy: 2.57041312943353
Energy: 2.4772775171626504
Energy: 2.4901434043940256
Energy: 2.5083693586453224
Energy: 2.6661245304885206
Energy: 2.5049779832513988
Energy: 2.4091452643320284
Energy: 2.7420550246665423
Energy: 2.513063578834264
Energy: 2.5049779832550603
Energy: 2.4091452643320284
Energy: 2.774519913268851
Energy: 2.286217390601706
Energy: 2.3775320816953536
Energy: 2.656012159331794
Energy: 2.7861179625447297
Energy: 2.2862173906053678
Energy: 2.3775320816953536
Energy: 2.6560121593244705
Energy: 2.4144768671961234
Energy: 2.455415436887795
Energy: 2.699381024843152
Energy: 2.6235007950280558
Energy: 2.4144768671961234
Energy: 2.4554154368841337
Energy: 2.699381024843152
Energy: 2.4149940634095692
Energy: 2.5596333620425793
Energy: 2.6975852460202603
Energy: 2.5297178610324975
Energy: 2.4149940634095692
Energy: 2.5596333620389173
Energy: 2.6975852460202603
Energy: 2.2332671792146055
Energy: 2.4100173240673577
Energy: 2.7905564567260583
Energy: 2.3494810036482003
Energy: 2.2332671792146055
Energy: 2.4100173240636957
Energy: 2.7905564567223964
Energy: 2.24758844047645
Energy: 2.2920284987527095
Energy: 2.837598742610169
Energy: 2.3183420825640733
Energy: 2.2475884404727884
Energy: 2.292028498760034
Energy: 2.837598742610169
Energy: 2.219880788527516
Energy: 2.3516937074518482
Energy: 2.818336436810614
Energy: 2.4085325413865415
Energy: 2.219880788531178
Energy: 2.3516937074518482
Energy: 2.8183364368069523
Energy: 2.268243970555767
Energy: 2.309071006454575
Energy: 2.64697154807296
Energy: 2.478844133578238
Energy: 2.268243970555767
Energy: 2.309071006454575
Energy: 2.646971548043664

minimum gb energy = 2.196004771694986 eV
minimum distance =  2.27213232301341 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.640732597049999
Energy: 2.581239847902341
Energy: 2.816501069402315
Energy: 2.572915016113098
Energy: 2.6407325970516906
Energy: 2.5812398479040324
Energy: 2.960276798662441
Energy: 2.4443204938580467
Energy: 2.3449850151325355
Energy: 2.653234456674463
Energy: 2.386582806720792
Energy: 2.444320493857624
Energy: 2.3449850151325355
Energy: 2.65323445667404
Energy: 2.29947881032202
Energy: 2.4130801747267743
Energy: 2.5772593082265556
Energy: 2.432274303763301
Energy: 2.2994788103203287
Energy: 2.4130801747250827
Energy: 2.5198614962353814
Energy: 2.5457029452359423
Energy: 2.206521058159077
Energy: 2.675591956357622
Energy: 2.3331365576254712
Energy: 2.545702945237634
Energy: 2.206521058159077
Energy: 2.675591956359736
Energy: 2.311694758182257
Energy: 2.575525545395343
Energy: 2.6367021684169925
Energy: 2.6745958884260044
Energy: 2.3116947581818343
Energy: 2.575525545395343
Energy: 2.63309837805688
Energy: 2.6291181094724188
Energy: 2.3935485672265058
Energy: 2.6858514596199177
Energy: 2.445816241713432
Energy: 2.6291181094724188
Energy: 2.393548567226929
Energy: 2.68585145962034
Energy: 2.4228514848984184
Energy: 2.562210866448919
Energy: 2.4547408198486447
Energy: 2.4798749396788877
Energy: 2.422851484894613
Energy: 2.562210866449343
Energy: 2.4547408198486447
Energy: 2.572738815243296
Energy: 2.503556106292112
Energy: 2.8548924928371684
Energy: 2.282087714158658
Energy: 2.5727388152441417
Energy: 2.5035561062916893
Energy: 2.8548924928371684
Energy: 2.3980059017784296
Energy: 2.4251735447785627
Energy: 2.5896562600468163
Energy: 2.4152506957160327
Energy: 2.398005901780121
Energy: 2.4251735447785627
Energy: 2.5896562600463935
Energy: 2.510081802302241
Energy: 2.5187097904797424
Energy: 2.747655433766818
Energy: 2.463056726123162
Energy: 2.5100818023018183
Energy: 2.5187097904788973
Energy: 2.7476554337659724
Energy: 2.525089970605606
Energy: 2.481887956918363
Energy: 2.6034724304358776
Energy: 2.3609314242250776
Energy: 2.5250899706060284
Energy: 2.481887956918363
Energy: 2.6034724304358776
Energy: 2.5161603915873654
Energy: 2.570915173888532
Energy: 2.903282468394355
Energy: 2.716623672453044
Energy: 2.516160391587788
Energy: 2.5709151738872635
Energy: 2.9032824680448543
Energy: 2.411268293974827
Energy: 2.387719004491619
Energy: 2.561138488270011
Energy: 2.3479678534032153
Energy: 2.4112682939744037
Energy: 2.387719004491196
Energy: 2.5611384882704336
Energy: 2.23646465231286
Energy: 2.516161978961246
Energy: 2.795018701875344
Energy: 2.481785344201904
Energy: 2.2364646523124367
Energy: 2.5161619789604
Energy: 2.795018701890989
Energy: 2.4500847301282374
Energy: 2.3743309748639456
Energy: 2.5532061144989915
Energy: 2.371157934514446
Energy: 2.450084730127814
Energy: 2.3743309748635224
Energy: 2.5532061144985687
Energy: 2.5032293192109587
Energy: 2.6930205197297594
Energy: 2.8992356515507915
Energy: 2.589652340034082
Energy: 2.503229319210113
Energy: 2.693020519727645
Energy: 2.8992356515562885
Energy: 2.5214391184589036
Energy: 2.326991208212976
Energy: 2.602540686738672
Energy: 2.4504544473301655
Energy: 2.5214391184589036
Energy: 2.326991208212976
Energy: 2.6025406867382492
Energy: 2.4414868705810213
Energy: 2.4586243419650415
Energy: 2.6584192443489956
Energy: 2.406834257283147
Energy: 2.4414868705805985
Energy: 2.4586243419650415
Energy: 2.658419244349842
Energy: 2.4734542960616004
Energy: 2.4602253370721483
Energy: 2.533031634388497
Energy: 2.328411104589447
Energy: 2.4734542960616004
Energy: 2.460225337072994
Energy: 2.5330316343880743
Energy: 2.475160415982163
Energy: 2.3823855719017994
Energy: 2.761001103914967
Energy: 2.5733504498263784
Energy: 2.475160415983855
Energy: 2.3823855719005307
Energy: 2.761001103914967
Energy: 2.490444547231969
Energy: 2.5060705682900544
Energy: 2.5576139890047767
Energy: 2.580199059288224
Energy: 2.490444547231969
Energy: 2.5060705682896316
Energy: 2.5526906201712944
Energy: 2.7149401729456257
Energy: 2.4135107845645543
Energy: 2.6631760284755592
Energy: 2.468957640107773
Energy: 2.714940172945203
Energy: 2.4135107845637087
Energy: 2.6631760284772508
Energy: 2.40125053480177
Energy: 2.7034346328849814
Energy: 2.753067163710799
Energy: 2.533885281379395
Energy: 2.4012505347988102
Energy: 2.7034346328815984
Energy: 2.7619806129193907
Energy: 2.4411748569960197
Energy: 2.321777758673845
Energy: 2.7168956206890225
Energy: 2.2210248383703264
Energy: 2.4411748569960197
Energy: 2.3217777586742683
Energy: 2.716895620689868
Energy: 2.320629458061141
Energy: 2.4576460870359127
Energy: 2.713971137702872
Energy: 2.461647472564908
Energy: 2.3206294580619864
Energy: 2.4576460870367587
Energy: 2.6706946136242276
Energy: 2.4030590651296198
Energy: 2.4121325116841903
Energy: 2.7912153177227337
Energy: 2.326714295266029
Energy: 2.403059065123277
Energy: 2.412132511682076
Energy: 2.7912153177210426
Energy: 2.544859703335079
Energy: 2.532285173768465
Energy: 2.85819154639113
Energy: 2.6298894909035777
Energy: 2.544859703333387
Energy: 2.53228517376931
Energy: 2.917667478180279
Energy: 2.4984826654103145
Energy: 2.2813093567420863
Energy: 2.6947732000124587
Energy: 2.333459736698593
Energy: 2.498482665412006
Energy: 2.2813093567412404
Energy: 2.6947732000128815
Energy: 2.356949343588078
Energy: 2.450653913983288
Energy: 2.472722751371119
Energy: 2.4821207315967886
Energy: 2.356949343588078
Energy: 2.4506539139828654
Energy: 2.4727227513694277
Energy: 2.5019828372646367
Energy: 2.2544775595719755
Energy: 2.650268560002605
Energy: 2.3135393912472115
Energy: 2.5019828372646367
Energy: 2.254477559572821
Energy: 2.6502685600009137
Energy: 2.3146241492364807
Energy: 2.5712417292581207
Energy: 2.713339092109597
Energy: 2.69832770155671
Energy: 2.314624149235635
Energy: 2.5712417292606577
Energy: 2.7133390921100196
Energy: 2.568470059717712
Energy: 2.462965717535869
Energy: 2.6955214692024803
Energy: 2.488958633265482
Energy: 2.5684700597164434
Energy: 2.4629657175354462
Energy: 2.6955214692024803
Energy: 2.41832165991077
Energy: 2.439541973008489
Energy: 2.536771630970986
Energy: 2.475744718994357
Energy: 2.4183216599213413
Energy: 2.439541973014831
Energy: 2.536771630971832
Energy: 2.497041298904719
Energy: 2.5043872795206026
Energy: 2.7624456164632405
Energy: 2.29856151582878
Energy: 2.497041298905565
Energy: 2.5043872795214486
Energy: 2.7624456164632405
Energy: 2.528999805313688
Energy: 2.4250956559518304
Energy: 2.584299665804033
Energy: 2.3560429670370118
Energy: 2.528999805296351
Energy: 2.425095655952253
Energy: 2.627266015541244
Energy: 2.484499850585442
Energy: 2.462950624676901
Energy: 2.6868327078134686
Energy: 2.5508319129405788
Energy: 2.4844998505845965
Energy: 2.4629506246773234
Energy: 2.6868327078143146

minimum gb energy = 2.206521058159077 eV
minimum distance =  2.26444811838383 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.7426489287318687
Energy: 2.2904762492589823
Energy: 3.1258678118149583
Energy: 2.21597592254463
Energy: 2.7426489287353624
Energy: 2.29047624926547
Energy: 3.115133896460044
Energy: 2.8581272391718993
Energy: 2.424860968426255
Energy: 2.6182726493874666
Energy: 2.6482602880451207
Energy: 2.8581272391714
Energy: 2.4248609684247584
Energy: 2.6182726493899615
Energy: 2.7376310040044696
Energy: 2.1231703053821986
Energy: 2.710176801483698
Energy: 2.4584534050603772
Energy: 2.737631004007963
Energy: 2.1231703053802025
Energy: 2.7101768014802046
Energy: 2.7273415430879515
Energy: 2.732520662720191
Energy: 2.555692479451376
Energy: 2.5431377960914108
Energy: 2.727341543087452
Energy: 2.732520662724682
Energy: 2.5556924794493794
Energy: 2.28609895801164
Energy: 2.5598171768333744
Energy: 2.568945575159845
Energy: 2.3383734077875027
Energy: 2.2860989580121394
Energy: 2.5598171768333744
Energy: 2.568945575159845
Energy: 2.8208916351560607
Energy: 2.4686855361599584
Energy: 3.2506027431033386
Energy: 2.731198714133143
Energy: 2.820891635158556
Energy: 2.4686855361634517
Energy: 3.2506027431038382
Energy: 2.2300267364821917
Energy: 2.4370514508213503
Energy: 2.1527153158832397
Energy: 2.5582621585255825
Energy: 2.2300267364831905
Energy: 2.437051451096683
Energy: 2.0235375643920936
Energy: 3.0747011714439982
Energy: 2.24060450440033
Energy: 3.1347402395027024
Energy: 2.2425115569335903
Energy: 3.0747011714439982
Energy: 2.2406045043848604
Energy: 3.134740239520668
Energy: 2.2456782917670735
Energy: 2.549396052277226
Energy: 2.296265057542332
Energy: 2.4259475523480902
Energy: 2.2456782917640794
Energy: 2.5493960522757293
Energy: 2.2962650575378407
Energy: 2.821477599684026
Energy: 2.710612713907748
Energy: 3.2351632842789884
Energy: 2.4717412045847578
Energy: 2.8214775996885173
Energy: 2.7106127139072487
Energy: 3.2351632842744973
Energy: 2.2965039057363685
Energy: 2.3410141062415386
Energy: 2.9493840908188926
Energy: 2.560366691093138
Energy: 2.2965039057348715
Energy: 2.3410141062390433
Energy: 2.923667423965519
Energy: 2.7279443335216205
Energy: 2.542875419917704
Energy: 2.545323948727253
Energy: 2.7449490492703834
Energy: 2.727944333524116
Energy: 2.542875419916207
Energy: 2.545323948724259
Energy: 2.7381740184034586
Energy: 2.463540284618948
Energy: 3.13421941807405
Energy: 2.120613925919481
Energy: 2.7381740184009633
Energy: 2.463540284618948
Energy: 3.145698784158942
Energy: 2.8598533945284483
Energy: 2.655932384646272
Energy: 2.6206316962572718
Energy: 2.428667034162214
Energy: 2.8598533945319415
Energy: 2.655932384646272
Energy: 2.6206316962597667
Energy: 2.742648928732368
Energy: 2.2904762492584836
Energy: 3.115133896457549
Energy: 2.215975922543133
Energy: 2.742648928734364
Energy: 2.29047624926547
Energy: 3.115133896458048
Energy: 2.8581272391714
Energy: 2.424860968428251
Energy: 2.6182726493884645
Energy: 2.648260288052107
Energy: 2.8581272391718993
Energy: 2.4248609684247584
Energy: 2.6182726493904607
Energy: 2.7376310040049683
Energy: 2.1231703053816995
Energy: 2.710176801484197
Energy: 2.4584534050593794
Energy: 2.737631004007963
Energy: 2.1231703053797033
Energy: 2.7101768014812033
Energy: 2.7273415430889494
Energy: 2.732520662720191
Energy: 2.555692479452374
Energy: 2.5431377960904125
Energy: 2.727341543086953
Energy: 2.7325206627256806
Energy: 2.5556924794488807
Energy: 2.286098958010143
Energy: 2.559817176832376
Energy: 2.568945575159845
Energy: 2.3383734077880023
Energy: 2.2860989580131372
Energy: 2.5598171768328757
Energy: 2.568945575159845
Energy: 2.82089163515656
Energy: 2.4686855361619546
Energy: 3.2506027431038382
Energy: 2.731198714133642
Energy: 2.8208916351590556
Energy: 2.468685536165448
Energy: 3.2506027431038382
Energy: 2.230026736481693
Energy: 2.437051451433398
Energy: 2.0235375643915945
Energy: 2.5582621585255825
Energy: 2.2300267364826913
Energy: 2.437051451092691
Energy: 2.0235375643910953
Energy: 3.0747011714434995
Energy: 2.240604504402326
Energy: 3.1347402395041994
Energy: 2.2425115569330916
Energy: 3.0747011714434995
Energy: 2.2406045043903493
Energy: 3.1347402395236617
Energy: 2.2456782917665747
Energy: 2.5493960522752297
Energy: 2.2962650575468233
Energy: 2.4259475523455944
Energy: 2.2456782917635802
Energy: 2.549396052286209
Energy: 2.2962650575403356
Energy: 2.821477599683527
Energy: 2.710612713908247
Energy: 3.235163284279987
Energy: 2.4717412045842586
Energy: 2.8214775996885173
Energy: 2.710612713908746
Energy: 3.235163284277991
Energy: 2.2965039057363685
Energy: 2.3410141062415386
Energy: 2.923667423969013
Energy: 2.5603666910921397
Energy: 2.2965039057358694
Energy: 2.3410141062385446
Energy: 2.923667423965519
Energy: 2.7279443335216205
Energy: 2.542875419917205
Energy: 2.5453239487297483
Energy: 2.7449490492703834
Energy: 2.7279443335221196
Energy: 2.5428754199167063
Energy: 2.5453239487267543
Energy: 2.7381740184034586
Energy: 2.463540284618948
Energy: 3.146351202073269
Energy: 2.1206139259184833
Energy: 2.7381740184014625
Energy: 2.463540284619946
Energy: 3.145698784158942
Energy: 2.859853394527949
Energy: 2.655932384646272
Energy: 2.6206316962572718
Energy: 2.4286670341547283
Energy: 2.8598533945324403
Energy: 2.655932384646771
Energy: 2.6206316962592675
Energy: 2.7426489287313696
Energy: 2.2904762492594815
Energy: 3.115133896458547
Energy: 2.2159759225401388
Energy: 2.7426489287353624
Energy: 2.2904762492649713
Energy: 3.1151338964605437
Energy: 2.8581272391718993
Energy: 2.424860968426255
Energy: 2.6182726493874666
Energy: 2.648260288047117
Energy: 2.8581272391718993
Energy: 2.424860968425257
Energy: 2.6182726493899615

minimum gb energy = 2.0235375643910953 eV
minimum distance =  2.28347966818602 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.3302447529447434
Energy: 2.519829893382271
Energy: 2.78860084256548
Energy: 2.470868297795997
Energy: 2.3302447529447434
Energy: 2.519829893383482
Energy: 2.774239970123973
Energy: 2.6034846400633396
Energy: 2.599980909865408
Energy: 2.5284857201230246
Energy: 2.7017674136931586
Energy: 2.6034846401244987
Energy: 2.5999809098617725
Energy: 2.5284857201230246
Energy: 2.486235924342555
Energy: 2.285506892190201
Energy: 2.4543746039091356
Energy: 2.573145561709912
Energy: 2.486235924341343
Energy: 2.285506892190201
Energy: 2.4543746039079237
Energy: 2.606675085986875
Energy: 2.536179999880962
Energy: 2.587801353427461
Energy: 2.456633020761631
Energy: 2.6066750859874537
Energy: 2.536179999880962
Energy: 2.587801353428067
Energy: 2.228728964364796
Energy: 2.4117285868681404
Energy: 2.2177596468870595
Energy: 2.547566841726205
Energy: 2.22872896436419
Energy: 2.411728586869958
Energy: 2.2177596468888767
Energy: 2.5845596443382317
Energy: 2.444353005795671
Energy: 2.9201543599111934
Energy: 2.2620661738420207
Energy: 2.584559644328539
Energy: 2.4443530057950653
Energy: 2.920154359909376
Energy: 2.472677832108583
Energy: 2.384894692468439
Energy: 2.2344775442102893
Energy: 2.5276532958677165
Energy: 2.4726778321091887
Energy: 2.3848946924678334
Energy: 2.234477544209683
Energy: 2.447018349374313
Energy: 2.6786864736437055
Energy: 2.936028699885757
Energy: 2.3786789252402896
Energy: 2.447018349373707
Energy: 2.678686473641888
Energy: 2.9360286998851515
Energy: 2.405696507340826
Energy: 2.3106403979359817
Energy: 2.6689251122848003
Energy: 2.721151822047842
Energy: 2.405696507341432
Energy: 2.3106403979371937
Energy: 2.668925112285406
Energy: 2.5852722442359766
Energy: 2.6175765789857435
Energy: 2.486757244619007
Energy: 2.336186348025671
Energy: 2.5852722442353704
Energy: 2.617576578986349
Energy: 2.486757244618401
Energy: 2.501741431230151
Energy: 2.2720589365143304
Energy: 2.605299129490099
Energy: 2.381584904925719
Energy: 2.501741431230757
Energy: 2.2720589365119066
Energy: 2.605299129490705
Energy: 2.2369685896208757
Energy: 2.552056908941783
Energy: 2.612040276753324
Energy: 2.312910133060567
Energy: 2.236968589619664
Energy: 2.5520569089411778
Energy: 2.612040276752719
Energy: 2.4292245671287005
Energy: 2.4328501061611076
Energy: 2.4420082509763392
Energy: 2.625775312447713
Energy: 2.4292245671280943
Energy: 2.4328501061611076
Energy: 2.3791914344849814
Energy: 2.5646065336944712
Energy: 2.4099646347412937
Energy: 2.9251834960341037
Energy: 2.1981855748646484
Energy: 2.5646065336962884
Energy: 2.4099646347388703
Energy: 2.925183496032892
Energy: 2.5405370595645547
Energy: 2.5848676886574284
Energy: 2.3523555922263863
Energy: 2.843072800587367
Energy: 2.5405370595645547
Energy: 2.5848676886562165
Energy: 2.3523555922263863
Energy: 2.5476874759492056
Energy: 2.508226346144144
Energy: 3.036548038154357
Energy: 2.2469993433413373
Energy: 2.5476874759492056
Energy: 2.508226346144144
Energy: 3.036548038154357
Energy: 2.5669229993672675
Energy: 2.5436739145672034
Energy: 2.6323311595666565
Energy: 2.8182899217291006
Energy: 2.5669229993678733
Energy: 2.5436739145684153
Energy: 2.632331159568474
Energy: 2.3718617057071847
Energy: 2.4144077051022257
Energy: 2.707064240670586
Energy: 2.5086780453939794
Energy: 2.371861705708396
Energy: 2.4144077051022257
Energy: 2.7070642406717975
Energy: 2.3998087890586817
Energy: 2.629381418569645
Energy: 2.556148367504774
Energy: 2.4067308127790117
Energy: 2.399808789059287
Energy: 2.629381418567828
Energy: 2.5561483675041683
Energy: 2.190851482820765
Energy: 2.3218300066376094
Energy: 2.698040188897084
Energy: 2.3200356132452677
Energy: 2.190851482820159
Energy: 2.321830006638215
Energy: 2.6980401888976897
Energy: 2.399730153520165
Energy: 2.4382593622845334
Energy: 2.549510152486131
Energy: 2.6432824661454353
Energy: 2.3997301535207707
Energy: 2.4382593622833215
Energy: 2.5495101524867367
Energy: 2.3762669377448224
Energy: 2.508323068221179
Energy: 2.719715055987381
Energy: 2.297612388279307
Energy: 2.3762669377460344
Energy: 2.508323068222996
Energy: 2.719715055986169
Energy: 2.5744972637927948
Energy: 2.783384852813919
Energy: 2.6174336491446226
Energy: 2.5366857014160673
Energy: 2.574497263792189
Energy: 2.7833848528127074
Energy: 2.6174336491421997
Energy: 2.4873927014313524
Energy: 2.1703985329449087
Energy: 2.971444923714404
Energy: 2.4531352534783615
Energy: 2.4873927014307466
Energy: 2.1703985329443025
Energy: 2.971444923738031
Energy: 2.5294627471883016
Energy: 2.8421678183030528
Energy: 2.4241129276259707
Energy: 2.576561302399824
Energy: 2.52946274716104
Energy: 2.8421678183030528
Energy: 2.424112927622941

minimum gb energy = 2.1703985329443025 eV
minimum distance =  2.26429962319977 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 2.6567899352043716
Energy: 2.6522402070996973
Energy: 2.571953483615555
Energy: 2.652870689948791
Energy: 2.6567899352009907
Energy: 2.6522402070963165
Energy: 2.571953483615555
Energy: 2.484713999056004
Energy: 2.593332319036004
Energy: 2.4605415568724696
Energy: 2.706370184925718
Energy: 2.4847139990255744
Energy: 2.593332319039385
Energy: 2.460541556875851
Energy: 2.474695843703822
Energy: 2.644151932799334
Energy: 2.417770973520226
Energy: 2.5832050337909434
Energy: 2.474695843703822
Energy: 2.6441519328027154
Energy: 2.4177709735168453
Energy: 2.3371741373100576
Energy: 2.4849022900203197
Energy: 2.5224641828177843
Energy: 2.5725603001096373
Energy: 2.3371741373100576
Energy: 2.4849022900203197
Energy: 2.5224641828177843
Energy: 2.506992971452827
Energy: 2.495281061751478
Energy: 2.272212043604217
Energy: 2.594277258392486
Energy: 2.5069929714562083
Energy: 2.495281061748097
Energy: 2.272212043604217
Energy: 2.3160514949385225
Energy: 2.526029110039902
Energy: 2.6620361609084107
Energy: 2.523027923154129
Energy: 2.3160514949419038
Energy: 2.5260291100365206
Energy: 2.6620361609117915
Energy: 2.3700121878871916
Energy: 2.4103565067694226
Energy: 2.437367934745467
Energy: 2.5352827628547776
Energy: 2.3700121879615743
Energy: 2.4103565067660413
Energy: 2.437367934745467
Energy: 2.2925079435751843
Energy: 2.60170480625046
Energy: 2.5194361657536493
Energy: 2.6180957490964967
Energy: 2.2925079435751843
Energy: 2.60170480625046
Energy: 2.51943616575703
Energy: 2.391014713991679
Energy: 2.386335090405553
Energy: 2.5390148268118806
Energy: 2.453285846069082
Energy: 2.391014713991679
Energy: 2.3863350904089335
Energy: 2.5390148268118806
Energy: 2.359393019777435
Energy: 2.5389880970631586
Energy: 2.5995217426453445
Energy: 2.52000374054352
Energy: 2.359393019777435
Energy: 2.538988097066539
Energy: 2.5995217426521067
Energy: 2.447342251608178
Energy: 2.54125191377992
Energy: 2.409160241314031
Energy: 2.451870606126351
Energy: 2.447342251608178
Energy: 2.5412519137765393
Energy: 2.40916024131065
Energy: 2.3558009142924456
Energy: 2.535837684649974
Energy: 2.7189337985787545
Energy: 2.416405707232195
Energy: 2.355800914289065
Energy: 2.535837684649974
Energy: 2.718933798575373
Energy: 2.5240408311125604
Energy: 2.6319257260643742
Energy: 2.4518367564065584
Energy: 2.4702208656972044
Energy: 2.5240408311159412
Energy: 2.631925726060993
Energy: 2.4518367564099397
Energy: 2.4673500006123295
Energy: 2.654179481666653
Energy: 2.7210573140948657
Energy: 2.576109721468937
Energy: 2.467350000608948
Energy: 2.654179481666653
Energy: 2.7210573140948657
Energy: 2.504664550963852
Energy: 2.5463476287612643
Energy: 2.6040166066652066
Energy: 2.5407601932852297
Energy: 2.5046645507644327
Energy: 2.546347628757883
Energy: 2.6040166066652066
Energy: 2.4969528081726873
Energy: 2.4942435776900758
Energy: 2.5802989880910387
Energy: 2.538479648171321
Energy: 2.496952808176068
Energy: 2.4942435776900758
Energy: 2.5802989880876583
Energy: 2.5255784234222998
Energy: 2.5696154569453182
Energy: 2.5720255727367953
Energy: 2.409031422927597
Energy: 2.5255784234222998
Energy: 2.5696154569453182
Energy: 2.5720255727367953
Energy: 2.3397078680787686
Energy: 2.416524772544339
Energy: 2.604904464416075
Energy: 2.4473176641979553
Energy: 2.3397078680753873
Energy: 2.416524772547721
Energy: 2.604904464416075
Energy: 2.5413634538400642
Energy: 2.6216915435200274
Energy: 2.4128676761483527
Energy: 2.5271792563938784
Energy: 2.5413634538400642
Energy: 2.621691543516646
Energy: 2.4128676761483527
Energy: 2.2533616936641283
Energy: 2.48316441925435
Energy: 2.705347803709522
Energy: 2.3320020859051778
Energy: 2.253361693660747
Energy: 2.48316441925435
Energy: 2.7053478037129035
Energy: 2.4918367398680976
Energy: 2.4067397543740214
Energy: 2.459440122779338
Energy: 2.5567647496043615
Energy: 2.4918367398478116
Energy: 2.4067397543841644
Energy: 2.459440122782719
Energy: 2.233880143206483
Energy: 2.467229053851053
Energy: 2.4985759897887445
Energy: 2.554914238184557
Energy: 2.233880143206483
Energy: 2.467229053857815
Energy: 2.498575989785363
Energy: 2.5727252299694996
Energy: 2.4278832684052847
Energy: 2.552526186009829
Energy: 2.4326189972324963
Energy: 2.5727252299694996
Energy: 2.4278832684052847
Energy: 2.552526186013211
Energy: 2.3774318897514917
Energy: 2.4504181585314426
Energy: 2.5997242624185786
Energy: 2.6002379821949644
Energy: 2.377431889748111
Energy: 2.4504181585348235
Energy: 2.599724262411878
Energy: 2.6020244605404703
Energy: 2.4992823747090447
Energy: 2.3948078016451673
Energy: 2.668080366159623
Energy: 2.6020244605675185
Energy: 2.4992823747056634
Energy: 2.3948078016451673
Energy: 2.4690175415876485
Energy: 2.6090178933330685
Energy: 2.658861539366979
Energy: 2.6707613421045195
Energy: 2.4690175415944102
Energy: 2.6090178933330685
Energy: 2.658861539366979
Energy: 2.722011566486548
Energy: 2.577320160511836
Energy: 2.444207050373631
Energy: 2.6981449530579997
Energy: 2.722011566486548
Energy: 2.577320160511836
Energy: 2.460283237090758
Energy: 2.4253582169377337
Energy: 2.6336439613218667
Energy: 2.7501997726679157
Energy: 2.6894211272531416
Energy: 2.4253582169309715
Energy: 2.6336439613218667
Energy: 2.7501997726746783
Energy: 2.6926241252676397
Energy: 2.55108129319353
Energy: 2.5048125879052465
Energy: 2.7327943757524866
Energy: 2.6926241252676397
Energy: 2.55108129319353
Energy: 2.526125378477177
Energy: 2.439059936835795
Energy: 2.612743227660269
Energy: 2.633790996105882
Energy: 2.6001232012248523
Energy: 2.4390599368324137
Energy: 2.61274322766365
Energy: 2.633790996105882
Energy: 2.5737591333390517
Energy: 2.4810293275662554
Energy: 2.567307340203813
Energy: 2.623373863780396
Energy: 2.5737591333390517
Energy: 2.481029327573018
Energy: 2.567307340203813
Energy: 2.433122371149797
Energy: 2.44603349540054
Energy: 2.5514488111415754
Energy: 2.6359036413043127
Energy: 2.4331223711531784
Energy: 2.44603349540054
Energy: 2.5514488111415754
Energy: 2.4855925388144757
Energy: 2.4876221738039694
Energy: 2.596987848885626
Energy: 2.570292809954302
Energy: 2.4855925388144757
Energy: 2.4876221738039694
Energy: 2.596987848885626
Energy: 2.339324462136542
Energy: 2.424996673701462
Energy: 2.6554132449882575
Energy: 2.5277985890332157
Energy: 2.339324462136542
Energy: 2.424996673701462
Energy: 2.655413244981495
Energy: 2.49629187640032
Energy: 2.428193180952293
Energy: 2.5038002708586453
Energy: 2.5872218128958484
Energy: 2.4962918763969393
Energy: 2.428193180945531
Energy: 2.5038002708586453
Energy: 2.350232144648089
Energy: 2.4520625956301494
Energy: 2.6783802092248106
Energy: 2.5053947319203815
Energy: 2.350232144648089
Energy: 2.452062595623387
Energy: 2.6783802092248106
Energy: 2.4810312720480705
Energy: 2.4944149343386006
Energy: 2.519122609056591
Energy: 2.52207568105129
Energy: 2.4810312720480705
Energy: 2.4944149343386006
Energy: 2.5191226090599717
Energy: 2.4351068158590548
Energy: 2.4936806476613382
Energy: 2.57551371702433
Energy: 2.5191580978552475
Energy: 2.4351068158624356
Energy: 2.4936806476613382
Energy: 2.5755137170175684
Energy: 2.495502757832482
Energy: 2.4678739708872994
Energy: 2.647209170710423
Energy: 2.5139633240890342
Energy: 2.495502757832482
Energy: 2.4678739708872994
Energy: 2.647209170710423
Energy: 2.5813125582430683
Energy: 2.6026242405669775
Energy: 2.601836062357725
Energy: 2.5625348666629466
Energy: 2.5813125582430683
Energy: 2.6026242405703583
Energy: 2.601836062357725
Energy: 2.5092142798743775
Energy: 2.534574484926791
Energy: 2.6708189497124426
Energy: 2.6055654990374815
Energy: 2.509214279867616
Energy: 2.5345744849301717
Energy: 2.670818949709062
Energy: 2.5957638401910623
Energy: 2.536774920793625
Energy: 2.761076104242048
Energy: 2.4518637862028734
Energy: 2.595763840194443
Energy: 2.5367749207902444
Energy: 2.761076104238667
Energy: 2.538517770086846
Energy: 2.480552079447326
Energy: 2.501527759434379
Energy: 2.661064487430988
Energy: 2.538517770083465
Energy: 2.4805520794507068
Energy: 2.501527759434379
Energy: 2.505223788351212
Energy: 2.587920751782595
Energy: 2.7177928784977294
Energy: 2.3807468020514952
Energy: 2.505223788351212
Energy: 2.587920751782595
Energy: 2.7177928784943486
Energy: 2.3913898055687106
Energy: 2.355221376754903
Energy: 2.56154722874128
Energy: 2.478041275383466
Energy: 2.3913898055687106
Energy: 2.3552213767515218
Energy: 2.5615472287378993

minimum gb energy = 2.233880143206483 eV
minimum distance =  2.27389215579318 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 2.8740858572430747
Energy: 2.2088607268413814
Energy: 2.86823703436196
Energy: 2.2088607268413814
Energy: 2.8740858572445993
Energy: 2.2088607268429055
Energy: 2.710190968012783
Energy: 2.8740858572430747
Energy: 2.208860726843668
Energy: 2.8113735744504247
Energy: 2.2088607268429055
Energy: 2.8740858572430747
Energy: 2.2088607268429055
Energy: 2.7101909680120206
Energy: 2.8740858572445993
Energy: 2.2088607268421434
Energy: 2.7077252452843577
Energy: 2.2088607268429055
Energy: 2.8740858572423122
Energy: 2.208860726843668
Energy: 2.7101909680120206
Energy: 2.8740858572430747
Energy: 2.2088607268413814
Energy: 2.774272937063676
Energy: 2.2088607268413814
Energy: 2.8740858572445993
Energy: 2.2088607268429055
Energy: 2.710190968012783
Energy: 2.8740858572430747
Energy: 2.2088607268444305
Energy: 2.811373574449662
Energy: 2.208860726843668
Energy: 2.874085857243837
Energy: 2.208860726843668
Energy: 2.710190968012783
Energy: 2.8740858572445993
Energy: 2.2088607268413814
Energy: 2.6530072371328304
Energy: 2.2088607268421434
Energy: 2.8740858572415497
Energy: 2.2088607268444305
Energy: 2.7101909680104956
Energy: 2.8740858572430747
Energy: 2.2088607268413814
Energy: 2.7101909680120206
Energy: 2.2088607268413814
Energy: 2.8740858572445993
Energy: 2.2088607268429055
Energy: 2.7101909680120206
Energy: 2.8740858572430747
Energy: 2.208860726843668
Energy: 2.8113735744504247
Energy: 2.2088607268429055
Energy: 2.8740858572430747
Energy: 2.2088607268429055
Energy: 2.710190968011258
Energy: 2.8740858572445993
Energy: 2.2088607268421434
Energy: 2.6530072371335924
Energy: 2.2088607268421434
Energy: 2.8740858572423122
Energy: 2.2088607268429055
Energy: 2.710190968011258
Energy: 2.8740858572423122
Energy: 2.2088607268413814
Energy: 2.7101909680120206
Energy: 2.2088607268413814
Energy: 2.8740858572445993
Energy: 2.2088607268421434
Energy: 2.710190968013545
Energy: 2.8740858572430747
Energy: 2.2088607268444305
Energy: 2.7101909680104956
Energy: 2.208860726843668
Energy: 2.874085857243837
Energy: 2.208860726843668
Energy: 2.710190968012783
Energy: 2.8740858572445993
Energy: 2.2088607268413814
Energy: 2.710190968012783
Energy: 2.2088607268421434
Energy: 2.8740858572423122
Energy: 2.208860726843668
Energy: 2.7101909680120206
Energy: 2.8740858572430747
Energy: 2.2088607268413814
Energy: 2.710190968012783
Energy: 2.2088607268413814
Energy: 2.8740858572445993
Energy: 2.2088607268429055
Energy: 2.710190968012783
Energy: 2.8740858572430747
Energy: 2.2088607268444305
Energy: 2.710190968011258
Energy: 2.2088607268429055
Energy: 2.8740858572430747
Energy: 2.2088607268429055
Energy: 2.7101909680120206
Energy: 2.8740858572445993
Energy: 2.2088607268429055
Energy: 2.710190968012783
Energy: 2.2088607268421434
Energy: 2.8740858572423122
Energy: 2.2088607268429055
Energy: 2.710190968011258
Energy: 2.8740858572430747
Energy: 2.2088607268413814
Energy: 2.710190968012783
Energy: 2.2088607268413814
Energy: 2.8740858572445993
Energy: 2.2088607268429055
Energy: 2.7101909680120206
Energy: 2.8740858572430747
Energy: 2.2088607268444305
Energy: 2.710190968011258
Energy: 2.208860726843668
Energy: 2.874085857243837
Energy: 2.2088607268429055
Energy: 2.7101909680120206
Energy: 2.8740858572445993
Energy: 2.2088607268413814
Energy: 2.710190968011258
Energy: 2.2088607268421434
Energy: 2.8740858572423122
Energy: 2.208860726843668
Energy: 2.7101909680120206
Energy: 2.8740858572430747
Energy: 2.2088607268413814
Energy: 2.710190968012783
Energy: 2.2088607268413814
Energy: 2.8740858572445993
Energy: 2.2088607268429055
Energy: 2.710190968012783
Energy: 2.8740858572430747
Energy: 2.208860726843668
Energy: 2.710190968011258
Energy: 2.2088607268429055
Energy: 2.8740858572430747
Energy: 2.2088607268429055
Energy: 2.7101909680120206

minimum gb energy = 2.2088607268413814 eV
minimum distance =  2.27143225598328 Angstroms
sigma value = 23