Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642529232347
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011733845925874922
Energy: 0.17638876389839164
Energy: 0.17638876389839164
Energy: 0.011733845924720201
Energy: 0.17638876389839164
Energy: 0.17638876389839164
Energy: 0.011733845924720201
Energy: 0.17638876389839164
Energy: 0.17638876389839164
Energy: 0.011733845925874922
Energy: 0.17602596308977655
Energy: 0.012322483535359348
Energy: 0.17667417511084796
Energy: 0.17602596308977655
Energy: 0.012322483535359348
Energy: 0.17667417511084796
Energy: 0.17602596308862184
Energy: 0.012322483535359348
Energy: 0.17667417511084796
Energy: 0.17602596308977655
Energy: 0.369184050701805
Energy: 0.17832003051687534
Energy: 0.09184395096672748
Energy: 0.3620431774394006
Energy: 0.3583717505977493
Energy: 0.01249631942718187
Energy: 0.6784824010116111
Energy: 0.10624844926880589
Energy: 0.01249631942718187
Energy: 0.3959541905310503
Energy: 0.17602596308862184
Energy: 0.17667417511084796
Energy: 0.012322483535359348
Energy: 0.17602596308862184
Energy: 0.17667417511084796
Energy: 0.012322483535359348
Energy: 0.17602596308862184
Energy: 0.17667417511084796
Energy: 0.012322483534204629
Energy: 0.17602596308977655
Energy: 0.011733845924720201
Energy: 0.17638876389839164
Energy: 0.17638876389839164
Energy: 0.011733845924720201
Energy: 0.17638876389839164
Energy: 0.17638876389839164
Energy: 0.011733845924720201
Energy: 0.17638876389839164
Energy: 0.17638876389839164
Energy: 0.011733845924720201
Energy: 0.17602596308862184
Energy: 0.012322483535359348
Energy: 0.17667417511084796
Energy: 0.17602596308862184
Energy: 0.012322483535359348
Energy: 0.17667417511084796
Energy: 0.17602596308977655
Energy: 0.012322483535359348
Energy: 0.17667417511084796
Energy: 0.17602596308862184
Energy: 0.395954189570745
Energy: 0.09184395096672748
Energy: 0.27648563088803435
Energy: 0.39595423464475926
Energy: 0.38541412399898345
Energy: 0.01249631942718187
Energy: 0.39595419108738805
Energy: 0.10624844926880589
Energy: 0.01249631942718187
Energy: 0.39595421686885035

minimum gb energy = 0.011733845924720201 eV
minimum distance =  2.63481269378421 Angstroms
sigma value = 3


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

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Energy: 0.651968802165515
Energy: 0.6514358174973094
Energy: 0.5798296100813363
Energy: 0.6519688021652322
Energy: 0.6514358174970265
Energy: 0.589187474925282
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Energy: 0.6514358174973094
Energy: 0.5798296100816192
Energy: 0.5815654290824711
Energy: 0.5683010819806411
Energy: 0.5848675557577383
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Energy: 0.5683010819809241
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Energy: 0.5815654292241004
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Energy: 0.7007512029178288
Energy: 0.6634286228401547
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Energy: 0.5171069277230905
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Energy: 0.6357169520259082
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Energy: 0.6357169520250596
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Energy: 0.6784502715358722
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Energy: 0.6741989230866448
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Energy: 0.49768087614462775
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Energy: 0.4976808761451934
Energy: 0.6731165826350692
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Energy: 0.5172665729244998
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Energy: 0.6477622601005825
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Energy: 0.537376537062892
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Energy: 0.6519688021660807
Energy: 0.6514358174967437
Energy: 0.5782060724990071
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Energy: 0.651435817496461
Energy: 0.5783105821959941
Energy: 0.6519688021626866
Energy: 0.6514358174975922
Energy: 0.5782060724984415
Energy: 0.5815654291392977
Energy: 0.5683010819803583
Energy: 0.5848675252504082
Energy: 0.5815654293253337
Energy: 0.5683010819809241
Energy: 0.5848675574441745
Energy: 0.5815654288135866
Energy: 0.5683010819803583
Energy: 0.584867555992964
Energy: 0.5815654293911856
Energy: 0.5620821597924284
Energy: 0.7007512029172631
Energy: 0.6634286228387404
Energy: 0.561911102318465
Energy: 0.7007512029181117
Energy: 0.6634286228401547
Energy: 0.5620821597932769
Energy: 0.7007512029200915
Energy: 0.6634286228404376
Energy: 0.5619111023198792
Energy: 0.6513916888243432
Energy: 0.6005828566358936
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Energy: 0.5171069277230905
Energy: 0.6513916888206661
Energy: 0.6005828566364594
Energy: 0.5171069277219592
Energy: 0.6513916888223632

minimum gb energy = 0.4974970660526601 eV
minimum distance =  2.51219907267588 Angstroms
sigma value = 75


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

Energy: 0.6112408478900937
Energy: 0.4931387734844462
Energy: 0.4934351239224811
Energy: 0.5575975489839414
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minimum gb energy = 0.48915753600599027 eV
minimum distance =  2.49840159871601 Angstroms
sigma value = 105


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

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Energy: 0.6098446885273237
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Energy: 0.6220724838251224
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Energy: 0.623477389433043
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Energy: 0.6154724343687276
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Energy: 0.6300028709925065
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Energy: 0.5886337005975457
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Energy: 0.6437843880616415
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Energy: 0.6437843880618114
Energy: 0.5886337005989329
Energy: 0.6287019975922927
Energy: 0.6437843880652087
Energy: 0.6126732071087247
Energy: 0.6329420486117413
Energy: 0.6390370281590954
Energy: 0.6126732071077905
Energy: 0.6329420486119111
Energy: 0.6390370281595766
Energy: 0.6126732071079604
Energy: 0.6329420486117413
Energy: 0.6390370281600295
Energy: 0.6126732071099703
Energy: 0.6151909663125524
Energy: 0.6309313341969031
Energy: 0.6313558520713977
Energy: 0.6151909663245273
Energy: 0.630939732414482
Energy: 0.6313558520547516
Energy: 0.6151909663139395
Energy: 0.6309313341964501
Energy: 0.6313558520533645
Energy: 0.615190966309127
Energy: 0.707690588931899
Energy: 0.630703229015913
Energy: 0.5901075188050382
Energy: 0.7076905889312762
Energy: 0.6306958751717765
Energy: 0.5901075188047268
Energy: 0.7076905889311346
Energy: 0.630703229015913
Energy: 0.5901075188050382
Energy: 0.7076905889331446
Energy: 0.58188356734513
Energy: 0.6393265719679727
Energy: 0.5766282343683623
Energy: 0.5818835673458943
Energy: 0.6393265719675199
Energy: 0.5766282343685323
Energy: 0.5818835673458943
Energy: 0.6393265719670386
Energy: 0.5766282343679094
Energy: 0.58188356734496
Energy: 0.6468164278240505
Energy: 0.6875092470699701
Energy: 0.6161847687427547
Energy: 0.6468164278237392
Energy: 0.6919363978689435
Energy: 0.6161847687418205
Energy: 0.6468164278245034
Energy: 0.6875092470699701
Energy: 0.6161847687415091
Energy: 0.6468164278235692
Energy: 0.6764853889077155
Energy: 0.6212724076303489
Energy: 0.6270357494839061
Energy: 0.6764853889069228
Energy: 0.6212120642194375
Energy: 0.6270357494812732
Energy: 0.6764853889087912
Energy: 0.6212724076516658
Energy: 0.627035749483453
Energy: 0.6719258154731306
Energy: 0.6600675694143764
Energy: 0.5962838494829861
Energy: 0.6561942021970837
Energy: 0.6600675694098752
Energy: 0.5962837267386801
Energy: 0.6561942021977064
Energy: 0.6600675694179716
Energy: 0.5962838494819103
Energy: 0.656194202197395
Energy: 0.6600675694151691

minimum gb energy = 0.5563474301276476 eV
minimum distance =  2.49781817463494 Angstroms
sigma value = 165


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

Energy: 0.5734140534127837
Energy: 0.6577249848055406
Energy: 0.6583930284817158
Energy: 0.5734140534127837
Energy: 0.657724984803937
Energy: 0.6583930284817158
Energy: 0.5734140534122493
Energy: 0.6577249848055406
Energy: 0.6583930284817158
Energy: 0.5734140534127837
Energy: 0.6568601446453928
Energy: 0.5808100820767159
Energy: 0.6697901523498364
Energy: 0.6568601446448582
Energy: 0.5808100213238548
Energy: 0.6697873832623719
Energy: 0.6568601446448582
Energy: 0.5808101112416453
Energy: 0.6697985124158938
Energy: 0.6568601446443236
Energy: 0.62563087202589
Energy: 0.6539601683730635
Energy: 0.5614544927397102
Energy: 0.6256308720264245
Energy: 0.6539662877520707
Energy: 0.5614546733981033
Energy: 0.625630872026959
Energy: 0.6539474136145026
Energy: 0.5614544813731629
Energy: 0.62563087202589
Energy: 0.7001167990328316
Energy: 0.699924937460342
Energy: 0.579681919086495
Energy: 0.7001167990333661
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Energy: 0.6999371212358731
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Energy: 0.6448549892700436
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Energy: 0.6448549892700436
Energy: 0.6172891521292714
Energy: 0.6169291618293207
Energy: 0.5872859984023747
Energy: 0.7212394507475677
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Energy: 0.5872859984018403
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Energy: 0.659640774552094
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Energy: 0.6596407745531631
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Energy: 0.6219331555338943
Energy: 0.6596407745531631
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Energy: 0.6332394908350512
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Energy: 0.6334916398959727
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Energy: 0.6621144251009166
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Energy: 0.633240816901467
Energy: 0.6621144251003821
Energy: 0.6219667781913846
Energy: 0.6554749086918593
Energy: 0.6596573734221114
Energy: 0.6219667781913846
Energy: 0.6554869081870188
Energy: 0.6596573734231804
Energy: 0.6219667782528313
Energy: 0.6554751181422497
Energy: 0.6596573734226459
Energy: 0.6219667782245012
Energy: 0.5872922303612227
Energy: 0.6985359280620523
Energy: 0.7212937936269738
Energy: 0.5872922303606882
Energy: 0.6985359280631214
Energy: 0.7212937936269738
Energy: 0.5872922303606882
Energy: 0.6985359280625868
Energy: 0.7212937936269738
Energy: 0.5872922303606882
Energy: 0.6169314285038571
Energy: 0.6172732187983165
Energy: 0.6448384936965308
Energy: 0.6169556402763919
Energy: 0.6172728094367905
Energy: 0.6448384936965308
Energy: 0.6169246370455157
Energy: 0.6172753461377459
Energy: 0.6448384936959962
Energy: 0.6169637643200641
Energy: 0.7002574380074468
Energy: 0.5796880517421698
Energy: 0.7001191717057782
Energy: 0.7002574380074468
Energy: 0.5796880517421698
Energy: 0.7001174058279444
Energy: 0.7002574380069121
Energy: 0.5796880517421698
Energy: 0.6999618585754706
Energy: 0.7002574380069121
Energy: 0.6256398434878854
Energy: 0.5614673093389744
Energy: 0.6543245980099874
Energy: 0.6256398434884198
Energy: 0.5614672941559526
Energy: 0.6543243989874117
Energy: 0.6256398434868162
Energy: 0.5614672037615798
Energy: 0.6543241123369982
Energy: 0.6256398434884198
Energy: 0.6566488451230312
Energy: 0.6696548473999451
Energy: 0.5807637218595465
Energy: 0.6566488451219622
Energy: 0.6696548474010141
Energy: 0.5807637215475265
Energy: 0.6566488451235658
Energy: 0.6696548474004796
Energy: 0.5807637215229382
Energy: 0.6566488451224968
Energy: 0.5734140534122493
Energy: 0.6577249848044715
Energy: 0.6583930284811811
Energy: 0.5734140534127837
Energy: 0.6577249848050061
Energy: 0.6583930284817158
Energy: 0.5734140534122493
Energy: 0.6577249848044715
Energy: 0.6583930284806467
Energy: 0.5734140534127837

minimum gb energy = 0.5614544813731629 eV
minimum distance =  2.58299468645014 Angstroms
sigma value = 41


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

Energy: 0.6264352102577263
Energy: 0.600056355071273
Energy: 0.5749146488118138
Energy: 0.6264352102573114
Energy: 0.600056355071273
Energy: 0.5749175634769617
Energy: 0.6264352102577263
Energy: 0.6000563550704434
Energy: 0.5749189067304776
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Energy: 0.5742655393098908
Energy: 0.5340286684184244
Energy: 0.6461864182444287
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Energy: 0.5340286305737233
Energy: 0.646186418245673
Energy: 0.5742655393090612
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Energy: 0.5742655393082317
Energy: 0.6122499140143093
Energy: 0.5591357038661929
Energy: 0.6131326381717414
Energy: 0.6004994209129829
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Energy: 0.6131326381721561
Energy: 0.5985935260761376
Energy: 0.5591357038666077
Energy: 0.6131326381715151
Energy: 0.5813406645181649
Energy: 0.5618052605202587
Energy: 0.5624991201104401
Energy: 0.5422116621161203
Energy: 0.5618063250885853
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Energy: 0.5422116621184204
Energy: 0.5616252045802775
Energy: 0.5625044385666453
Energy: 0.5422116621177794
Energy: 0.5616253573879096
Energy: 0.574640349532354
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Energy: 0.5430233053579292
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Energy: 0.5367932399650494
Energy: 0.651068499995266
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Energy: 0.5367932399656525
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Energy: 0.5655469268102611
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Energy: 0.611093017283455
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Energy: 0.6056102396666665
Energy: 0.5816638922728988
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Energy: 0.5744021708726238
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Energy: 0.5432964227968241
Energy: 0.5744021708701351
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Energy: 0.5432964227943354
Energy: 0.5744021708711909
Energy: 0.6451371765762826
Energy: 0.5432964227951649
Energy: 0.5744021708728501
Energy: 0.630041006024549
Energy: 0.6233431903446901
Energy: 0.6160881808154055
Energy: 0.6300410060247377
Energy: 0.6233431903452934
Energy: 0.6160881808151791
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Energy: 0.6233431903457082
Energy: 0.6160881808154055
Energy: 0.630041006024549
Energy: 0.5998170444510216
Energy: 0.5353636983267949
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Energy: 0.5382530826460733
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Energy: 0.5448005734731427
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Energy: 0.5715611549039429
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Energy: 0.5948706063683543
Energy: 0.5959520583844652
Energy: 0.5715739918865379
Energy: 0.5948706063683543
Energy: 0.6470662613151424
Energy: 0.5382486242160447
Energy: 0.5750037622321958
Energy: 0.6470662613153687
Energy: 0.5382486242158184
Energy: 0.5750037622355142
Energy: 0.6470662613153687
Energy: 0.5382486242168742
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Energy: 0.6470662613157835
Energy: 0.6002626073319486
Energy: 0.5754596238203893
Energy: 0.6267924492680111
Energy: 0.6002626073342487
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Energy: 0.6002626073321748
Energy: 0.575459358287903
Energy: 0.6267924492684259
Energy: 0.6002626073334192
Energy: 0.5339031276574907
Energy: 0.645851796483033
Energy: 0.6039734438767217
Energy: 0.5339035810330344
Energy: 0.6458502533767586
Energy: 0.6039734438752888
Energy: 0.5339033522108825
Energy: 0.64584851135899
Energy: 0.6039734438765332
Energy: 0.533902872879372
Energy: 0.5600874026844254
Energy: 0.5402854549454925
Energy: 0.5402631086971117
Energy: 0.5600874026841991
Energy: 0.5402854549475664
Energy: 0.5402630385776185
Energy: 0.5600874026837842
Energy: 0.5402854549440597
Energy: 0.5402626603204286
Energy: 0.5600874026841991
Energy: 0.5408732386015189
Energy: 0.5432574696055075
Energy: 0.5617942062830528
Energy: 0.5408721995417927
Energy: 0.5432574696079961
Energy: 0.5617963769956791
Energy: 0.5408739908504566
Energy: 0.5432574696071666
Energy: 0.5617938641663933
Energy: 0.540872242602665
Energy: 0.6295905581976111
Energy: 0.5420872051399477
Energy: 0.5794049554280417
Energy: 0.6295905581976111
Energy: 0.5420872051413806
Energy: 0.5794049554292859
Energy: 0.6295905581982143
Energy: 0.542087205142625
Energy: 0.5794049554288713
Energy: 0.6295905581980258
Energy: 0.6677677455191535
Energy: 0.6078770152654781
Energy: 0.5349133305590763
Energy: 0.6677677455187387
Energy: 0.6078770152657043
Energy: 0.5349133305593027
Energy: 0.6677677455191535
Energy: 0.6078770152657043
Energy: 0.5349133305588878
Energy: 0.6677677455189273

minimum gb energy = 0.5332701135616211 eV
minimum distance =  2.59024006217204 Angstroms
sigma value = 185


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

Energy: 0.3395347410968063
Energy: 0.33987914095152666
Energy: 0.33980134094559494
Energy: 0.2826129746972527
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Energy: 0.33181267707334
Energy: 0.35190618727383627
Energy: 0.37719547353150595
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Energy: 0.4080631225012857
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Energy: 0.3771954735312598
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Energy: 0.28283261519921665
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Energy: 0.30207961051113513
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Energy: 0.37728859884181837
Energy: 0.34362948502609325
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Energy: 0.3772885988410798
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Energy: 0.32634739431722287
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Energy: 0.38742882409523555
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Energy: 0.38742882409425083
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Energy: 0.3502099304265754
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Energy: 0.33189348712379996
Energy: 0.3536784774897154
Energy: 0.35218724460212847
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Energy: 0.3521872446013899
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Energy: 0.3536784774909464
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Energy: 0.3398791409510343
Energy: 0.33980134094584113
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Energy: 0.33987914095251137
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Energy: 0.33987914095128047
Energy: 0.3398013409448564
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Energy: 0.3318126770743247
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Energy: 0.3408867107226061
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Energy: 0.3408867107243294
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Energy: 0.30136475207062213
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Energy: 0.30136475207062213
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Energy: 0.2828263489294586
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Energy: 0.2828263489279815
Energy: 0.3398887824076882
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Energy: 0.28282634892748915
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Energy: 0.38742882409449697
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Energy: 0.35396309011801425
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Energy: 0.3398887824079344
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Energy: 0.30135099234927
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Energy: 0.38742882409474316
Energy: 0.28282634892773534
Energy: 0.33988878240916537
Energy: 0.38742882409498935
Energy: 0.302758837323257
Energy: 0.33094993129841654
Energy: 0.3411536148284679
Energy: 0.30275883732424175
Energy: 0.33094993129693945
Energy: 0.3411536148289603
Energy: 0.30275883732473413
Energy: 0.3309499312974318
Energy: 0.34115361482723694
Energy: 0.30275883732399556
Energy: 0.2828337759943146
Energy: 0.28337203661081845
Energy: 0.35020993042756016
Energy: 0.2828337759945608
Energy: 0.283372036610326
Energy: 0.35020993042805254
Energy: 0.2828337759945608
Energy: 0.2833720366113108
Energy: 0.3502099304268216
Energy: 0.28283377599529935
Energy: 0.33189348712355377
Energy: 0.3536784774902078
Energy: 0.3521872446023746
Energy: 0.3318934871233076
Energy: 0.3536784774897154
Energy: 0.3521872446013899
Energy: 0.33189348712207667
Energy: 0.3536784774902078
Energy: 0.35218724460212847
Energy: 0.3318934871230614

minimum gb energy = 0.2826129746972527 eV
minimum distance =  2.66821414902696 Angstroms
sigma value = 33


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

Energy: 0.5613973537153691
Energy: 0.5833773383394523
Energy: 0.5752487980070807
Energy: 0.5613973537167207
Energy: 0.5833773383381009
Energy: 0.5752487980070807
Energy: 0.5613973537153691
Energy: 0.5833773383381009
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Energy: 0.5655613484202452
Energy: 0.5388362900072964
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Energy: 0.5425203916549748
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Energy: 0.5787966168525916
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Energy: 0.5435479140589919
Energy: 0.5759009956616081
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Energy: 0.5651898984555372
Energy: 0.5642323455522054
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Energy: 0.5783804004743596
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Energy: 0.5912832995912867
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Energy: 0.5205187297337978
Energy: 0.543399600857552
Energy: 0.5617395715872061
Energy: 0.5205187297324463

minimum gb energy = 0.5032897725408788 eV
minimum distance =  2.51543358481281 Angstroms
sigma value = 219


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

Energy: 0.5895849619694947
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Energy: 0.6923552070114288
Energy: 0.6221037459109773
Energy: 0.6239768619068584
Energy: 0.6923552070105343
Energy: 0.6221037459109773

minimum gb energy = 0.5876826196326176 eV
minimum distance =  2.57389280353131 Angstroms
sigma value = 15


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

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Energy: 0.7122843996831617
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minimum gb energy = 0.62094953698413 eV
minimum distance =  2.50693450550096 Angstroms
sigma value = 293


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

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Energy: 0.6808825616800205
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Energy: 0.6545180744963957
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Energy: 0.7014571692858188
Energy: 0.6790562862175071
Energy: 0.6026557394203497
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Energy: 0.67905628619712
Energy: 0.6026557394203497
Energy: 0.7014571692860208
Energy: 0.6790562862314474
Energy: 0.6026557394205517
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Energy: 0.6618592979139043
Energy: 0.6993355202771043
Energy: 0.6039965671577507
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Energy: 0.6039965671581548
Energy: 0.6618592979143083
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Energy: 0.6039965671577507
Energy: 0.6618592979139043
Energy: 0.6160117120515851
Energy: 0.617008354460103
Energy: 0.5962831091193909
Energy: 0.6160117120493627
Energy: 0.6170083544603051
Energy: 0.5962831091187848
Energy: 0.6160117120491607
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Energy: 0.5962831091195929
Energy: 0.6160117120493627
Energy: 0.6443605402267142
Energy: 0.6598064478351223
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Energy: 0.6847887153904938
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Energy: 0.6449916655747977
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Energy: 0.6601134768372686
Energy: 0.6449916655749998
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Energy: 0.6601134768372686
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Energy: 0.6601134768376726
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Energy: 0.5962385393364737
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Energy: 0.6159977485141295
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Energy: 0.6159977485139275
Energy: 0.6617499967036943
Energy: 0.6040709124019495
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Energy: 0.6040709124021515
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Energy: 0.6790637915902347
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Energy: 0.6026337925826587
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Energy: 0.7024408951400727
Energy: 0.6026337925826587
Energy: 0.679063791599712
Energy: 0.7024408951402747
Energy: 0.6810620237172124
Energy: 0.6545520185707854
Energy: 0.6626058544786683
Energy: 0.6810620237176165
Energy: 0.6545520185709875
Energy: 0.6626058544780622
Energy: 0.6810620237164042
Energy: 0.6545520185709875
Energy: 0.6626058544778601
Energy: 0.6810620237157982
Energy: 0.6235727707635473
Energy: 0.6030173987357762
Energy: 0.6065167037003284
Energy: 0.6235727707635473
Energy: 0.6030173987349683
Energy: 0.6065167036989142
Energy: 0.6235727707629412
Energy: 0.6030173987365844
Energy: 0.6065167036991161
Energy: 0.6235727707631432
Energy: 0.6760611892935009
Energy: 0.6353130311250381
Energy: 0.635228967424729
Energy: 0.6760611892928947
Energy: 0.635313031123826
Energy: 0.6352289674249312
Energy: 0.6760611892926927
Energy: 0.63531303112423
Energy: 0.6352289674251331
Energy: 0.6760611892941069
Energy: 0.6235754897713435
Energy: 0.6059435001253353
Energy: 0.6029031164337096
Energy: 0.6235754897715455
Energy: 0.6059435001245272
Energy: 0.6029031164337096
Energy: 0.6235754897711414
Energy: 0.6059435001245272
Energy: 0.6029031164345178
Energy: 0.6235754897711414
Energy: 0.6808825616802225
Energy: 0.6625922214862943
Energy: 0.6545180744965978
Energy: 0.6808825616798185
Energy: 0.6625922214860923
Energy: 0.6545180744963957
Energy: 0.6808825616796164
Energy: 0.6625922214866984
Energy: 0.6545180744961938
Energy: 0.6808825616802225
Energy: 0.7014571692858188
Energy: 0.6790562862403369
Energy: 0.6026557394199455
Energy: 0.7014571692856167
Energy: 0.6790562861926753
Energy: 0.6026557394197436
Energy: 0.7014571692860208
Energy: 0.6790562862373064
Energy: 0.6026557394195415
Energy: 0.7014571692860208
Energy: 0.6618592979139043
Energy: 0.6993355202767003
Energy: 0.6039965671573466
Energy: 0.6618592979135002
Energy: 0.6993355202777104
Energy: 0.6039965671577507
Energy: 0.6618592979132982
Energy: 0.6993355202999157
Energy: 0.6039965671573466
Energy: 0.6618592979135002

minimum gb energy = 0.5962385393358677 eV
minimum distance =  2.5130270148684 Angstroms
sigma value = 293


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

Energy: 0.5944707394948296
Energy: 0.5945417474303222
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.5945417474295918
Energy: 0.5945309743524692
Energy: 0.5944707394948296
Energy: 0.5945417474299569
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.610332528875036
Energy: 0.5947297726782768
Energy: 0.6105573824530897
Energy: 0.610332528875036
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.610332528875036
Energy: 0.5947297726782768
Energy: 0.6105573824527245
Energy: 0.6103325288746708
Energy: 0.5942992617003805
Energy: 0.5942073242626279
Energy: 0.6584075511128583
Energy: 0.5942992617003805
Energy: 0.5942073242622627
Energy: 0.6584075511150492
Energy: 0.5942992617003805
Energy: 0.5942073242626279
Energy: 0.6584075511132235
Energy: 0.5942992617003805
Energy: 0.6585568309249468
Energy: 0.5942111759116343
Energy: 0.594298910114449
Energy: 0.6585568309256771
Energy: 0.5942111759119996
Energy: 0.594298910114084
Energy: 0.6585568309256771
Energy: 0.5942111759112693
Energy: 0.594298910114084
Energy: 0.658556830925312
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245515796
Energy: 0.6105915357046514
Energy: 0.5947257420391672
Energy: 0.6102317245515796
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245515796
Energy: 0.6105915357046514
Energy: 0.5945417474295918
Energy: 0.5945309743524692
Energy: 0.5944707394948296
Energy: 0.5945417474303222
Energy: 0.5945309743531995
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Energy: 0.5945417474299569
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.5945417474303222
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.610332528875036
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.610332528875036
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.610332528875036
Energy: 0.5947297726782768
Energy: 0.5942073242622627
Energy: 0.658407551112493
Energy: 0.5942992617003805
Energy: 0.5942073242629929
Energy: 0.658407551112128
Energy: 0.5942992617000153
Energy: 0.5942073242622627
Energy: 0.6584075511135886
Energy: 0.5942992617003805
Energy: 0.5942073242629929
Energy: 0.5942111759116343
Energy: 0.594298910114084
Energy: 0.6585568309249468
Energy: 0.5942111759116343
Energy: 0.594298910114084
Energy: 0.6585568309242166
Energy: 0.5942111759119996
Energy: 0.594298910114084
Energy: 0.6585568309245817
Energy: 0.5942111759112693
Energy: 0.5947257420395322
Energy: 0.6102317245519447
Energy: 0.6105915357039211
Energy: 0.5947257420395322
Energy: 0.6102317245515796
Energy: 0.6105915357046514
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Energy: 0.6102317245515796
Energy: 0.6105915357042861
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Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.5945417474295918
Energy: 0.5945309743524692
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Energy: 0.5945417474299569
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.5945417474299569
Energy: 0.5945309743528344
Energy: 0.6105573824527245
Energy: 0.6103325288746708
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.610332528875036
Energy: 0.5947297726786419
Energy: 0.6105573824527245
Energy: 0.610332528875036
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.658407551112493
Energy: 0.5942992617000153
Energy: 0.5942073242626279
Energy: 0.6584075511128583
Energy: 0.5942992617003805
Energy: 0.5942073242626279
Energy: 0.658407551114684
Energy: 0.5942992617000153
Energy: 0.5942073242622627
Energy: 0.6584075511135886
Energy: 0.594298910114449
Energy: 0.6585568309242166
Energy: 0.5942111759116343
Energy: 0.594298910114084
Energy: 0.6585568309234863
Energy: 0.5942111759112693
Energy: 0.594298910114449
Energy: 0.6585568309245817
Energy: 0.5942111759116343
Energy: 0.594298910114449
Energy: 0.6102317245515796
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245519447
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245519447
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245519447
Energy: 0.5944707394948296
Energy: 0.5945417474303222
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.5945417474299569
Energy: 0.5945309743524692
Energy: 0.5944707394948296
Energy: 0.5945417474303222
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.610332528875036
Energy: 0.5947297726782768
Energy: 0.6105573824527245
Energy: 0.610332528875036
Energy: 0.5947297726782768
Energy: 0.6105573824530897
Energy: 0.6103325288754011
Energy: 0.5947297726782768
Energy: 0.6105573824527245
Energy: 0.610332528875036
Energy: 0.5942992617003805
Energy: 0.5942073242626279
Energy: 0.6584075511135886
Energy: 0.5942992617003805
Energy: 0.5942073242626279
Energy: 0.6584075511154143
Energy: 0.5942992617003805
Energy: 0.5942073242626279
Energy: 0.6584075511132235
Energy: 0.5942992617000153
Energy: 0.6585568309242166
Energy: 0.5942111759112693
Energy: 0.594298910114084
Energy: 0.6585568309249468
Energy: 0.5942111759116343
Energy: 0.594298910114084
Energy: 0.6585568309249468
Energy: 0.5942111759112693
Energy: 0.594298910114449
Energy: 0.6585568309256771
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245515796
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245519447
Energy: 0.6105915357042861
Energy: 0.5947257420395322
Energy: 0.6102317245515796
Energy: 0.6105915357042861
Energy: 0.5945417474295918
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.5945417474303222
Energy: 0.5945309743528344
Energy: 0.5944707394948296
Energy: 0.5945417474299569
Energy: 0.5945309743524692
Energy: 0.5944707394948296
Energy: 0.5945417474299569
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.610332528875036
Energy: 0.5947297726786419
Energy: 0.6105573824527245
Energy: 0.610332528875036
Energy: 0.5947297726786419
Energy: 0.6105573824530897
Energy: 0.6103325288754011
Energy: 0.5947297726782768

minimum gb energy = 0.5942073242622627 eV
minimum distance =  2.60004660505619 Angstroms
sigma value = 15


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

Energy: 0.6112763894515241
Energy: 0.6781531780757668
Energy: 0.6524215324325615
Energy: 0.6019019058110684
Energy: 0.6781531780708011
Energy: 0.6524215324309064
Energy: 0.6112763894515241
Energy: 0.6781531780724563
Energy: 0.6524215324309064
Energy: 0.6019019058110684
Energy: 0.696009698528016
Energy: 0.6105738996111361
Energy: 0.5962225846392367
Energy: 0.6960096985263609
Energy: 0.6105738996127611
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Energy: 0.6105738996111361
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Energy: 0.6960096985263609
Energy: 0.6197723873849691
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Energy: 0.7746399750032571
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Energy: 0.7746399750049123
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Energy: 0.6046084547885646
Energy: 0.5974105186435529
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Energy: 0.6380564517803348
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Energy: 0.599151480612933
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Energy: 0.7070559798218936
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Energy: 0.613037186514255
Energy: 0.7070559798235488
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Energy: 0.6130371865126298
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Energy: 0.762317556592732
Energy: 0.6022873023151517
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Energy: 0.762317556592732
Energy: 0.6112405424803042
Energy: 0.697082617207317
Energy: 0.6302044299227628
Energy: 0.6112397261938781
Energy: 0.697082617207317
Energy: 0.6302044299111762
Energy: 0.6112405424819595
Energy: 0.6970826172089721
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Energy: 0.611239726192223
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Energy: 0.5961458163463318
Energy: 0.6338586910217721
Energy: 0.6161264245697202
Energy: 0.6322079719869003
Energy: 0.5976849273040639
Energy: 0.6143219455582346
Energy: 0.6322079719869003
Energy: 0.5976834867080355
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Energy: 0.6322079719869003
Energy: 0.5976849273024086
Energy: 0.6143219455598897
Energy: 0.632207971985245
Energy: 0.6673580585012118
Energy: 0.5973795917253859
Energy: 0.6724638528559863
Energy: 0.667358058502867
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Energy: 0.7407498133709494
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Energy: 0.675442131430386
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Energy: 0.6233167412387232
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Energy: 0.6233167412387232
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Energy: 0.6949795757100831
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Energy: 0.6949795757117384
Energy: 0.5994620786191325
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Energy: 0.6046404103682728
Energy: 0.6045522134021355
Energy: 0.6047409108244943
Energy: 0.6046976564524219
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Energy: 0.6047409108261496
Energy: 0.6046404103715833
Energy: 0.6045522134004803
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Energy: 0.6046976564524219
Energy: 0.5972842769916435
Energy: 0.6334519135562934
Energy: 0.5958538101299953
Energy: 0.5972842769932988
Energy: 0.6334519135562934
Energy: 0.5958538101266849
Energy: 0.5972842769932988
Energy: 0.6334519135562934
Energy: 0.59585381012834
Energy: 0.5972842769932988
Energy: 0.6037507158411721
Energy: 0.6120123454811117
Energy: 0.6126417456324463
Energy: 0.6037507158411721
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Energy: 0.6120123454827671
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Energy: 0.6037507158428274
Energy: 0.6112987277257333
Energy: 0.60662106130928
Energy: 0.6347392326279709
Energy: 0.6113031143157243
Energy: 0.6066210613076248
Energy: 0.6347392326279709
Energy: 0.6112987277273887
Energy: 0.6066210613076248
Energy: 0.6347392326246604
Energy: 0.6113031143173796
Energy: 0.69054634550142
Energy: 0.5947946306075127
Energy: 0.6366616051114953
Energy: 0.6905463454997649
Energy: 0.5947946306075127
Energy: 0.6366616051114953
Energy: 0.69054634550142
Energy: 0.5947946306058576
Energy: 0.63666160510984
Energy: 0.69054634550142
Energy: 0.6746377542232966
Energy: 0.6024380730938441
Energy: 0.6740308917538032
Energy: 0.6746377542232966
Energy: 0.6024380730938441
Energy: 0.6740308917504926
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Energy: 0.6740308917538032
Energy: 0.6746377542232966
Energy: 0.7662121705442875
Energy: 0.5975983536753415
Energy: 0.6815339703325236
Energy: 0.7631622344173702
Energy: 0.597623390298168
Energy: 0.6815339703341788
Energy: 0.7662121705426322
Energy: 0.5975983536736863
Energy: 0.6815339703358341
Energy: 0.763162234415715
Energy: 0.602711748397142
Energy: 0.5967601254524334
Energy: 0.6084885268215421
Energy: 0.6027117483954868
Energy: 0.5967601254524334
Energy: 0.6084885268165765
Energy: 0.602711748397142
Energy: 0.5967601254524334
Energy: 0.6084885268248525
Energy: 0.6027117483954868
Energy: 0.6697146862081133
Energy: 0.611841594198772
Energy: 0.6055715269896518
Energy: 0.6697146862048027
Energy: 0.6118415942020824
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Energy: 0.6697146862064579
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Energy: 0.5952636053082344
Energy: 0.6028348943665173
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Energy: 0.602834894364862
Energy: 0.5985848881960837
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Energy: 0.602834894364862
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Energy: 0.5952636053049241
Energy: 0.6113319458329061
Energy: 0.6506658013906642
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Energy: 0.6177863908998845
Energy: 0.6019658956751431
Energy: 0.6112009805798347
Energy: 0.6808896735122707
Energy: 0.682076968035087
Energy: 0.6020142277895009
Energy: 0.6808896735106154
Energy: 0.6813298265121754
Energy: 0.6112009805781795
Energy: 0.6808896735122707
Energy: 0.6820769680334318
Energy: 0.6020142277895009
Energy: 0.5960379153665548
Energy: 0.7081042610227526
Energy: 0.6032676898841609
Energy: 0.5960379153665548
Energy: 0.7081042610210975
Energy: 0.6032676898858161
Energy: 0.5960379153648995
Energy: 0.708104261019442
Energy: 0.6032676898858161
Energy: 0.5960379153648995
Energy: 0.6681660557111536
Energy: 0.6063893701531083
Energy: 0.6030972201000027
Energy: 0.6681660554348495
Energy: 0.6063893701514531
Energy: 0.6030972200983474
Energy: 0.6681660554646136
Energy: 0.6063893701531083
Energy: 0.6030972200983474
Energy: 0.668166055558932
Energy: 0.6028197062471125
Energy: 0.5968498488573895
Energy: 0.5947538427982849
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Energy: 0.5991355507771604
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Energy: 0.5968498488573895
Energy: 0.5947538428049058
Energy: 0.6028197062471125
Energy: 0.656713081714862
Energy: 0.6932826680029406
Energy: 0.5976746501143194
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Energy: 0.6932826680029406
Energy: 0.5976746501143194
Energy: 0.6567130817165172
Energy: 0.6932826679996301
Energy: 0.5976746501143194
Energy: 0.6567130817115515
Energy: 0.6657848761570916
Energy: 0.6656061058724803
Energy: 0.602545903849943
Energy: 0.6657848761570916
Energy: 0.6656061058741355
Energy: 0.6025459038515983
Energy: 0.6657848761570916
Energy: 0.6656061058741355
Energy: 0.6025459038482878
Energy: 0.6657848761570916
Energy: 0.6678136326344792
Energy: 0.6879668249886068
Energy: 0.5957736978627057
Energy: 0.6678136326013746
Energy: 0.6879668249902621
Energy: 0.5957736978627057
Energy: 0.6678136326228926
Energy: 0.6879668249902621
Energy: 0.5957736978627057
Energy: 0.6678136326477212
Energy: 0.6120649211582827
Energy: 0.6126784707696029
Energy: 0.616309844005425
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Energy: 0.6126784707696029
Energy: 0.616309844005425
Energy: 0.6120649211599378
Energy: 0.6126784707712583
Energy: 0.616309844005425
Energy: 0.6120649211582827
Energy: 0.5983580228580355
Energy: 0.6030503753676543
Energy: 0.6027906049854026
Energy: 0.5983580228563803
Energy: 0.6030503753676543
Energy: 0.602790604987058
Energy: 0.5983580228563803
Energy: 0.6030503753659991
Energy: 0.602790604987058
Energy: 0.5983580228563803
Energy: 0.6682589470392726
Energy: 0.5959708743053892
Energy: 0.6357689198403316
Energy: 0.6682589470376173
Energy: 0.595970874303734
Energy: 0.6357689198386763
Energy: 0.6682589470376173
Energy: 0.595970874303734
Energy: 0.6357689198403316
Energy: 0.6682589470376173
Energy: 0.6046555375755475
Energy: 0.6726188658845882
Energy: 0.6045578082051428
Energy: 0.6046555375755475
Energy: 0.6726188659077615
Energy: 0.6045578082067982
Energy: 0.6046555375772026
Energy: 0.6726188659027957
Energy: 0.6045578082067982
Energy: 0.6046555375755475
Energy: 0.625570776910991
Energy: 0.5977489676552286
Energy: 0.6958962240972103
Energy: 0.6255707771591561
Energy: 0.5977492630747613
Energy: 0.6958962240972103
Energy: 0.625570777228646
Energy: 0.5977489676535732
Energy: 0.6958962240972103
Energy: 0.6255707768944386
Energy: 0.6033030839781081
Energy: 0.6000745937944233
Energy: 0.6470122221921106
Energy: 0.6033030839781081
Energy: 0.6000745937960784
Energy: 0.6470122221937658
Energy: 0.6033030839797634
Energy: 0.6000745937960784
Energy: 0.6470122221937658
Energy: 0.6033030839764529
Energy: 0.6039616753209625
Energy: 0.6253026900067409
Energy: 0.6050612433435472
Energy: 0.6039616753226177
Energy: 0.6253026900034304
Energy: 0.6050610823241297
Energy: 0.6039616753159968
Energy: 0.6253026900034304
Energy: 0.6050612433435472
Energy: 0.6039616753209625
Energy: 0.5988040422438414
Energy: 0.5921959770614108
Energy: 0.5979486853056615
Energy: 0.5988040422454967
Energy: 0.5921959770581003
Energy: 0.5979486848589282
Energy: 0.5988040422454967
Energy: 0.5921959770597555
Energy: 0.5979486854661291
Energy: 0.5988040422438414
Energy: 0.6020568138876866
Energy: 0.666946946344809
Energy: 0.689885871557821
Energy: 0.6020568138893417
Energy: 0.6669469463464642
Energy: 0.689885871557821
Energy: 0.6020568138876866
Energy: 0.666946946344809
Energy: 0.689885871557821
Energy: 0.602056813884376

minimum gb energy = 0.5921959770581003 eV
minimum distance =  2.52912973695675 Angstroms
sigma value = 437


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

Energy: 0.5780466269492457
Energy: 0.5796383206432092
Energy: 0.5797725659990983
Energy: 0.5780466269492457
Energy: 0.5796383206438123
Energy: 0.5797725660003044
Energy: 0.5780466269492457
Energy: 0.5796383206432092
Energy: 0.5797725659997013
Energy: 0.5780466269498487
Energy: 0.6658831962527737
Energy: 0.5722554565327713
Energy: 0.5815653474903552
Energy: 0.6658831962527737
Energy: 0.5722554565321682
Energy: 0.5815653474903552
Energy: 0.6658831962527737
Energy: 0.5722554565327713
Energy: 0.5815653474903552
Energy: 0.6658831962521705
Energy: 0.6806058195277135
Energy: 0.5623033309052715
Energy: 0.5999321635148631
Energy: 0.6700184122373523
Energy: 0.5623033309046686
Energy: 0.599932163531145
Energy: 0.6700184122379554
Energy: 0.5623033309052715
Energy: 0.6344296946710963
Energy: 0.6700184122379554
Energy: 0.6392325680704012
Energy: 0.689945544791126
Energy: 0.6467890418318111
Energy: 0.6392325680704012
Energy: 0.6899455447917291
Energy: 0.6467890418324141
Energy: 0.6392325680704012
Energy: 0.689945544791126
Energy: 0.6467890418318111
Energy: 0.6392325680704012
Energy: 0.61753199229519
Energy: 0.5824769248372423
Energy: 0.7870550188201435
Energy: 0.61753199229519
Energy: 0.5824769248372423
Energy: 0.7870550188207465
Energy: 0.6175319922957929
Energy: 0.5824769248372423
Energy: 0.7870550188207465
Energy: 0.617531992296396
Energy: 0.649024726265238
Energy: 0.6388898771616565
Energy: 0.5729947887229261
Energy: 0.649024726265238
Energy: 0.6388898771622593
Energy: 0.5729947887229261
Energy: 0.649024726265238
Energy: 0.6388898771616565
Energy: 0.5729947887229261
Energy: 0.649024726265238
Energy: 0.6524822035300935
Energy: 0.5886151054007817
Energy: 0.5622610061452835
Energy: 0.6524822032757238
Energy: 0.5886151054007817
Energy: 0.5622610061458866
Energy: 0.6524822033113026
Energy: 0.5886151054007817
Energy: 0.5622610061458866
Energy: 0.6524822033902449
Energy: 0.6315110298585405
Energy: 0.701923122479748
Energy: 0.6247173117000046
Energy: 0.6315110298579374
Energy: 0.701923122479748
Energy: 0.6247173117006076
Energy: 0.6315110298585405
Energy: 0.701923122479748
Energy: 0.6247173117000046
Energy: 0.6315110298579374
Energy: 0.6548739584791803
Energy: 0.5819414284390209
Energy: 0.5820861138287644
Energy: 0.6548739584803864
Energy: 0.5819414284384178
Energy: 0.5820861138281614
Energy: 0.6548739584803864
Energy: 0.5819414284390209
Energy: 0.5820861138287644
Energy: 0.6548739584797834
Energy: 0.6280142088781822
Energy: 0.6465305070054311
Energy: 0.6509588682042136
Energy: 0.6280142088787852
Energy: 0.6465305070024159
Energy: 0.6509588696556834
Energy: 0.6280142088781822
Energy: 0.6465305070048281
Energy: 0.650958868427856
Energy: 0.6280142088787852
Energy: 0.5648314618628764
Energy: 0.5679960786269345
Energy: 0.6135073275474301
Energy: 0.5648314618616703
Energy: 0.5679960786275375
Energy: 0.6135073275474301
Energy: 0.5648314618628764
Energy: 0.5679960786269345
Energy: 0.6135073275474301
Energy: 0.5648314618622734
Energy: 0.6470511506066361
Energy: 0.5748566149425419
Energy: 0.5825512055170653
Energy: 0.6470511506066361
Energy: 0.5748566149413359
Energy: 0.5825512055158593
Energy: 0.647051150606033
Energy: 0.5748566149419388
Energy: 0.5825512055158593
Energy: 0.6470511506066361
Energy: 0.5820085307764189
Energy: 0.6158173941655499
Energy: 0.5821580073348865
Energy: 0.5820085307764189
Energy: 0.615817394166153
Energy: 0.5821580073354895
Energy: 0.5820085307764189
Energy: 0.6158173941655499
Energy: 0.5821580073354895
Energy: 0.5820085307770217
Energy: 0.5783225146850227
Energy: 0.5879869052467507
Energy: 0.6246405367564136
Energy: 0.5783225146850227
Energy: 0.5879869052467507
Energy: 0.6246405367576197
Energy: 0.5783225146844196
Energy: 0.5879869052473536
Energy: 0.6246405367564136
Energy: 0.5783225146862288

minimum gb energy = 0.5622610061452835 eV
minimum distance =  2.5375097202753 Angstroms
sigma value = 33