Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665045946836467
cohesive_energy=13.884706401845953
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.048215793187820696
Energy: 0.8946024177817199
Energy: 0.05663890702970264
Energy: 2.2449819568212304
Energy: 0.05663890703200161
Energy: 0.8946024177817199
Energy: 0.048215793187820696
Energy: 0.8946024177817199
Energy: 0.05663890702740367
Energy: 1.8527342355680076
Energy: 0.9134231445797695
Energy: 0.04952943554172098
Energy: 0.051133197318692876
Energy: 0.8930561462805249
Energy: 0.051133197318692876
Energy: 0.049529435544019944
Energy: 0.9134231445797695
Energy: 0.04952943553942201
Energy: 0.05113319732099184
Energy: 0.8930561462782258
Energy: 0.048215793187820696
Energy: 0.8946024177817199
Energy: 0.05663890702740367
Energy: 2.244981956798241
Energy: 0.05663890702740367
Energy: 0.8946024177840188
Energy: 0.048215793187820696
Energy: 0.894602417779421
Energy: 0.05663890702970264
Energy: 1.8527342355772036
Energy: 0.9134231445797695
Energy: 0.04952943554172098
Energy: 0.051133197316393916
Energy: 0.8930561462805249
Energy: 0.051133197318692876
Energy: 0.049529435544019944
Energy: 0.9134231445797695
Energy: 0.049529435544019944
Energy: 0.05113319732099184
Energy: 0.8930561462805249
Energy: 0.048215793187820696
Energy: 0.8946024177817199
Energy: 0.056638907025104705
Energy: 2.2449819564421105
Energy: 0.056638907022805746
Energy: 0.894602417779421
Energy: 0.048215793187820696
Energy: 0.8946024177840188
Energy: 0.05663890702740367
Energy: 1.8527342355749046
Energy: 0.9134231445797695
Energy: 0.049529435544019944
Energy: 0.051133197316393916
Energy: 0.8930561462805249
Energy: 0.051133197318692876
Energy: 0.04952943554172098
Energy: 0.9134231445797695
Energy: 0.04952943554861788
Energy: 0.05113319732099184
Energy: 0.8930561462805249
Energy: 0.048215793187820696
Energy: 0.894602417779421
Energy: 0.05663890703200161
Energy: 2.2449819563731417
Energy: 0.05663890702740367
Energy: 0.894602417779421
Energy: 0.048215793187820696
Energy: 0.8946024177817199
Energy: 0.05663890703200161
Energy: 1.8527342355772036

minimum gb energy = 0.048215793187820696 eV
minimum distance =  2.27430411730203 Angstroms
sigma value = 3


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

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Energy: 1.7349135140869227
Energy: 1.7959207575898775
Energy: 1.7325317885497735
Energy: 1.7953265830935243
Energy: 1.734990179957656
Energy: 1.8802573352969885
Energy: 1.7349135140869227
Energy: 1.7959207575898775
Energy: 1.7325317885442446
Energy: 1.7594472982478622
Energy: 1.6947907748873918
Energy: 1.842222426034315
Energy: 1.8965003070991113
Energy: 1.7502801609422294
Energy: 1.6426407113225845
Energy: 1.7594472982423335
Energy: 1.6947907748873918
Energy: 1.842222426034315
Energy: 1.8965003070991113
Energy: 1.7386485344670266
Energy: 1.683103925682005
Energy: 1.6498160306842553
Energy: 1.6710825767019861
Energy: 1.7259309109569152
Energy: 1.6154589342635215
Energy: 1.7386485344670266
Energy: 1.683103925682005
Energy: 1.6498160306897844
Energy: 1.6710825767019861
Energy: 1.8193689947796303
Energy: 1.6709348682297234
Energy: 1.694332567713125
Energy: 1.775378249182397
Energy: 1.6858015799661012
Energy: 1.6666920948079165
Energy: 1.8193689947796303
Energy: 1.6709348682297234
Energy: 1.6943325677186538
Energy: 1.775378249182397
Energy: 1.6607159733614687
Energy: 1.672160471854344
Energy: 1.6708789571421545
Energy: 1.6581293705680535
Energy: 1.64834494211121
Energy: 1.641212210804027
Energy: 1.660715973355735
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Energy: 1.6708789571421545
Energy: 1.6581293705680535
Energy: 1.6046366294809666
Energy: 1.682209077112767
Energy: 1.6749795029364491
Energy: 1.6484129485647647
Energy: 1.6522530142186467
Energy: 1.683605334684001
Energy: 1.604636629475233
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Energy: 1.6749795029364491
Energy: 1.6484129485702936
Energy: 1.6246455981614116
Energy: 1.6963671045888027
Energy: 1.7986675383295412
Energy: 1.7259667970269454
Energy: 1.6284725521009498
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Energy: 1.6246455981558825
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Energy: 1.7986675383295412
Energy: 1.7259667970214163
Energy: 1.6984103785210358
Energy: 1.7971910698976512
Energy: 1.6839120550469018
Energy: 1.6810378009473141
Energy: 1.6770534854370651
Energy: 1.7534263690463812
Energy: 1.7593803524488727
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Energy: 1.6802361311414804
Energy: 1.6810378009473141
Energy: 1.6810741220041456
Energy: 1.8413450787881942
Energy: 2.00499914610553
Energy: 1.8524730900565092
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Energy: 1.8239199437203812
Energy: 1.6810741220041456
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Energy: 2.00499914610553
Energy: 1.8524730900622428
Energy: 1.7403198345896895
Energy: 1.7945901082567433
Energy: 1.7349496079197835
Energy: 1.8848493365867587
Energy: 1.8238878472469244
Energy: 1.8541234010856156
Energy: 1.7403198345896895
Energy: 1.7945901082567433
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Energy: 1.8848493365924925
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Energy: 1.6209010735570906
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Energy: 1.6209010735570906
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Energy: 1.6666982608211007
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Energy: 1.6666982608323635
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Energy: 1.6605611969393956
Energy: 1.726496041050425
Energy: 1.6850747220156768
Energy: 1.6466709595507945
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Energy: 1.6605611969393956
Energy: 1.726496041050425
Energy: 1.6850747220156768
Energy: 1.6466709595507945
Energy: 1.6859438579322692
Energy: 1.659837827197013
Energy: 1.6674879209829738
Energy: 1.6494878152107126
Energy: 1.6878257701277501
Energy: 1.7610756983541866
Energy: 1.6859438579322692
Energy: 1.659837827197013
Energy: 1.6674879209829738
Energy: 1.6494878152049788
Energy: 1.7297591976428928
Energy: 1.82730004709949
Energy: 1.7491196494401762
Energy: 1.5870100519990948
Energy: 2.100052942847563
Energy: 1.6279522743727703
Energy: 1.7297591976371594
Energy: 1.8273000470939613
Energy: 1.7491196494401762
Energy: 1.5870100519933612
Energy: 1.8847366795844653
Energy: 1.7349826609050985
Energy: 1.7934111299180384
Energy: 1.7365585349921733
Energy: 1.8543304583370894
Energy: 1.885357808727392
Energy: 1.8847366795844653
Energy: 1.7349826608993646
Energy: 1.7934111299237723
Energy: 1.6918932768728532
Energy: 1.8467679847839218
Energy: 2.005097666446442
Energy: 1.8418320005555253
Energy: 1.6814000458145204
Energy: 1.8242350063776815
Energy: 1.7118425997894324
Energy: 1.8467679847839218
Energy: 2.005097666446442
Energy: 1.8418320005610544
Energy: 1.6814000458145204
Energy: 1.6816631143629646
Energy: 1.6802361311414804
Energy: 1.8078893973488621
Energy: 1.6002362815939728
Energy: 1.7525664640781258
Energy: 1.677914979504268
Energy: 1.6816631143629646
Energy: 1.6802361311414804
Energy: 1.8078893973545958
Energy: 1.6002362815939728
Energy: 1.7285990883969173
Energy: 1.7984730641076236
Energy: 1.6964976811963417
Energy: 1.6483799411163516
Energy: 1.8086553046995708
Energy: 1.627633254869853
Energy: 1.7285990883969173
Energy: 1.7984730641076236
Energy: 1.6964976812018704
Energy: 1.6483799411108226
Energy: 1.6492765807520489
Energy: 1.6749924501377393
Energy: 1.6810422651490367
Energy: 1.6553619624738476
Energy: 1.6837411575193515
Energy: 1.6718937996286714
Energy: 1.6492765807520489
Energy: 1.6749924501377393
Energy: 1.6810422651490367
Energy: 1.6164670938331447
Energy: 1.6580710116594664
Energy: 1.7039790831077772
Energy: 1.672146868504422
Energy: 1.6607387549786585
Energy: 1.641212210804027
Energy: 1.648337821219038
Energy: 1.6580710116537327
Energy: 1.7039790831022485
Energy: 1.672146868504422
Energy: 1.6607387549841874
Energy: 1.775069960177097
Energy: 1.6941710647408392
Energy: 1.671410750748858
Energy: 1.81957535362708
Energy: 1.6667556682092046
Energy: 1.6858536257200734
Energy: 1.775069960177097
Energy: 1.6941710647408392
Energy: 1.671410750748858
Energy: 1.81957535362708
Energy: 1.67108257670772
Energy: 1.6499076361861653
Energy: 1.6627874748821598
Energy: 1.7385878624220188
Energy: 1.606598034187852
Energy: 1.7267175392585836
Energy: 1.6710825767019861
Energy: 1.6499076361806362
Energy: 1.713237193498807
Energy: 1.7385878624164897
Energy: 1.8972210447374824
Energy: 1.8432825240403814
Energy: 1.6776059551307154
Energy: 1.7588002431910637
Energy: 1.6426600135003748
Energy: 1.7570796254946763
Energy: 1.8972210447317488
Energy: 1.843282524046115
Energy: 1.6776059551249818
Energy: 1.7588002431967973
Energy: 1.7170795827624992
Energy: 1.7953265830935243
Energy: 1.734990179957656
Energy: 1.8802573353137801
Energy: 1.7349135140869227
Energy: 1.7959207575898775
Energy: 1.7170795827682328
Energy: 1.7953265830935243
Energy: 1.734990179957656
Energy: 1.8802573353025176
Energy: 1.8965003070991113
Energy: 1.7502801609367007
Energy: 1.6426407113225845
Energy: 1.759447298225337
Energy: 1.6947907748873918
Energy: 1.842222426034315
Energy: 1.8965003070991113
Energy: 1.7502801609422294
Energy: 1.6426407113225845
Energy: 1.7594472982478622
Energy: 1.6710825767019861
Energy: 1.7259309109569152
Energy: 1.710929393830111
Energy: 1.7386485344670266
Energy: 1.683103925682005
Energy: 1.6498160306842553
Energy: 1.67108257670772
Energy: 1.7259309109569152
Energy: 1.6154589342690506
Energy: 1.7386485344725553
Energy: 1.775378249182397
Energy: 1.6858015799661012
Energy: 1.6666920948079165
Energy: 1.8193689947796303
Energy: 1.6709348682297234
Energy: 1.694332567713125
Energy: 1.775378249182397
Energy: 1.6858015799661012
Energy: 1.6666920948079165
Energy: 1.8193689947796303

minimum gb energy = 1.5870100519933612 eV
minimum distance =  2.22187030010213 Angstroms
sigma value = 75


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

Energy: 1.9781566911872752
Energy: 2.01129435735285
Energy: 1.8784993844775193
Energy: 1.86077038373163
Energy: 1.934510075622007
Energy: 1.9178010460179054
Energy: 1.9781566911872752
Energy: 2.0112943573555477
Energy: 1.878499384480217
Energy: 1.8395407232495014
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Energy: 1.8018547177775248
Energy: 1.7896459592156722
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Energy: 1.6850771898935195
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Energy: 1.8804407076538636
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Energy: 1.8467004981704926
Energy: 1.6865924989305463
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Energy: 1.6758865671233942
Energy: 1.809513260127221
Energy: 1.772105642223702
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Energy: 1.7174354850060924
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Energy: 1.7814565949461247
Energy: 1.6863911641306062
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Energy: 1.6941244877055988
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Energy: 1.9284465568414948
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Energy: 1.705878584790349
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Energy: 1.7546563801465325
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Energy: 1.812055746356552
Energy: 1.7965592367690604
Energy: 1.7906908609207537
Energy: 2.1249821656545302
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minimum gb energy = 1.673107834281788 eV
minimum distance =  2.22225361158435 Angstroms
sigma value = 105


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

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Energy: 1.6981837741223418
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Energy: 1.744572111492338
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Energy: 1.7534826848005525
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Energy: 1.7845584460753499
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Energy: 1.7845584460753499
Energy: 1.8472924924660188
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Energy: 1.659454709071606
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Energy: 1.754218439675774
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Energy: 1.7746454928564206
Energy: 1.8727053805285812
Energy: 1.715944919598065
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Energy: 1.705679718376522
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Energy: 1.7756555933850926
Energy: 1.863539885064014
Energy: 1.7527426248872562
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Energy: 1.9643999326212347
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Energy: 1.8635398850670577
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Energy: 1.8531310272855668
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Energy: 1.7881784296634482
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Energy: 1.7088525984565828
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Energy: 1.8399118805911
Energy: 1.707591089137978
Energy: 2.0321711798622792
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Energy: 1.8717850932492361
Energy: 1.6723021383679595
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Energy: 1.707591089141134
Energy: 2.0321711798622792
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Energy: 1.8717850932492361
Energy: 1.8012382253536954
Energy: 1.6940821456716968
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Energy: 1.8012382253506518
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Energy: 1.8652836776706965
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Energy: 1.79952555364788
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Energy: 1.7667051385539418
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Energy: 1.7667051385539418
Energy: 1.688853845281151
Energy: 1.6817681415150292
Energy: 1.7919850295854687
Energy: 1.7882477387764997
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Energy: 1.6888538452843072
Energy: 1.6817681415150292
Energy: 1.7919850295824251
Energy: 1.767149342258447
Energy: 1.6803168237404833
Energy: 1.6861155237881456
Energy: 1.8878616257412424
Energy: 1.6780052814969948
Energy: 1.7477008965802636
Energy: 1.7193067431709244
Energy: 1.6803168237404833
Energy: 1.6861155237881456
Energy: 1.8878616257412424
Energy: 1.6780052814939512
Energy: 2.0208064911937176
Energy: 1.8000982812235233
Energy: 1.71911406848545
Energy: 1.7431223958691975
Energy: 1.7711414482475862
Energy: 1.7061208514068833
Energy: 2.0208064911967614
Energy: 1.8000982812235233
Energy: 1.71911406848545
Energy: 1.743122395872241
Energy: 1.7022611617377779
Energy: 1.8062913848917597
Energy: 2.0036687757607603
Energy: 1.8035087725191563
Energy: 1.9018316167744884
Energy: 1.9933801474482618
Energy: 1.7022611617470211
Energy: 1.8062913848917597
Energy: 2.0036687757607603
Energy: 1.8035087725191563
Energy: 1.8047734005736045
Energy: 1.7062174921797058
Energy: 1.7853282538137134
Energy: 1.7167467872773903
Energy: 1.6828387588210907
Energy: 1.7547783266674117
Energy: 1.8047734005736045
Energy: 1.7062174921797058
Energy: 1.7853282538106698
Energy: 1.7167467872711906
Energy: 1.68369660451931
Energy: 1.7061203689285827
Energy: 1.7449916286168896
Energy: 1.6780081471532111
Energy: 1.9154749367305208
Energy: 1.6550300257090016
Energy: 1.68369660451931
Energy: 1.7061203689317388
Energy: 1.744991628613846
Energy: 1.6780081471532111
Energy: 1.6783958190496047
Energy: 1.7674061437153457
Energy: 1.7171842406750693
Energy: 1.7181812646930685
Energy: 1.7467867318854118
Energy: 1.6830073642875272
Energy: 1.6783958190496047
Energy: 1.7674061437153457
Energy: 1.717184240672026
Energy: 1.7181812646930685
Energy: 1.8870395818339805
Energy: 1.7707595230965207
Energy: 1.7167368947402157
Energy: 1.7468427084605294
Energy: 1.7405677241565014
Energy: 1.9318555571702132
Energy: 1.8870395818339805
Energy: 1.7707595230965207
Energy: 1.7167368947402157
Energy: 1.7468427084605294

minimum gb energy = 1.6148919817025555 eV
minimum distance =  2.2475220250172 Angstroms
sigma value = 165


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

Energy: 1.7507334950126225
Energy: 2.0173972538025944
Energy: 1.6459313867966447
Energy: 1.857652254595718
Energy: 1.6479853675477532
Energy: 2.017328837941064
Energy: 1.750733495011558
Energy: 2.017397253799402
Energy: 1.645931386788131
Energy: 1.857652254595718
Energy: 1.7299997662384607
Energy: 1.7265515770755389
Energy: 1.6460052855950005
Energy: 1.7334447679027514
Energy: 1.5930574891566145
Energy: 1.6141125881662028
Energy: 1.7299997662363322
Energy: 1.7265515770744748
Energy: 1.646005285592872
Energy: 1.7334447679006229
Energy: 1.6091212874467624
Energy: 1.8455306921973538
Energy: 1.6703329362759285
Energy: 1.6042807211789218
Energy: 1.6551386867035454
Energy: 1.744649369344674
Energy: 1.6091212874467624
Energy: 1.845530692194161
Energy: 1.6703329362728327
Energy: 1.604280721175729
Energy: 1.6475141888303324
Energy: 1.7038839697304737
Energy: 1.7815757453689869
Energy: 1.614634247385352
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Energy: 1.7815757453711152
Energy: 1.614634247385352
Energy: 1.8564353976973134
Energy: 1.7056746359943142
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Energy: 1.9206750786854967
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Energy: 1.655552569051603
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Energy: 1.7056746359975068
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Energy: 1.9206750786876252
Energy: 1.7252136860148979
Energy: 1.675409617234686
Energy: 1.790326250625883
Energy: 1.6637652651944272
Energy: 2.0163177454551726
Energy: 1.6466121546948524
Energy: 1.7252136860180909
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Energy: 1.790326250625883
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Energy: 1.637200822860809
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Energy: 1.6034590639682331
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Energy: 1.985595504090572
Energy: 1.9835450863108313
Energy: 1.6154287630588637
Energy: 1.7805881432922634
Energy: 1.7809695254677533
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Energy: 1.9855955040895077
Energy: 1.9835450863118957
Energy: 1.6154287630588637
Energy: 1.603301344930146
Energy: 1.6244072129020735
Energy: 1.5843458824490864
Energy: 1.7169809332620254
Energy: 1.6373910328978365
Energy: 1.669505237433127
Energy: 1.6033013449322742
Energy: 1.624407212899945
Energy: 1.5843458824480219
Energy: 1.7169809332630899
Energy: 1.7139919351318376
Energy: 1.7893515679363767
Energy: 1.6756540078438125
Energy: 1.7247747396543278
Energy: 1.6367001834511223
Energy: 2.015820777446204
Energy: 1.713991935130773
Energy: 1.789351567933184
Energy: 1.67565400784062
Energy: 1.7247747396479425
Energy: 1.9212591029581145
Energy: 1.916657426218586
Energy: 1.7056527816898186
Energy: 1.8565203186219654
Energy: 1.6538768926240683
Energy: 1.7878841574125037
Energy: 1.92125910295705
Energy: 1.91665742621965
Energy: 1.705652781685562
Energy: 1.8565203186230295
Energy: 1.6151840949513112
Energy: 1.7818168216648567
Energy: 1.7039240999299217
Energy: 1.6475703166687679
Energy: 1.5806776962582043
Energy: 1.6397954774635968
Energy: 1.6151840949523757
Energy: 1.7818168216627286
Energy: 1.7039240999320502
Energy: 1.6475703166655755
Energy: 1.6039488395407853
Energy: 1.670332936264319
Energy: 1.8454404060272802
Energy: 1.6091547802779476
Energy: 1.74464936934361
Energy: 1.6539557090312917
Energy: 1.603948839539721
Energy: 1.67033293626964
Energy: 1.8454404060251517
Energy: 1.6091547802790118
Energy: 1.7336210833402923
Energy: 1.644901867310185
Energy: 1.7262878419200782
Energy: 1.7296897652302978
Energy: 1.6139670863634237
Energy: 1.5937558363401023
Energy: 1.7336210833402923
Energy: 1.6449018673069924
Energy: 1.7262878419222067
Energy: 1.7296897652324263
Energy: 1.8649192387513263
Energy: 1.6479853675498817
Energy: 2.017328837942128
Energy: 1.7507334950179434
Energy: 2.0173972537983373
Energy: 1.6459313867955805
Energy: 1.8649192387513263
Energy: 1.6479853675509457
Energy: 2.017328837942128
Energy: 1.750733495014751

minimum gb energy = 1.5806776962582043 eV
minimum distance =  2.24553845075638 Angstroms
sigma value = 41


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

Energy: 1.94505034141518
Energy: 1.7549082873401696
Energy: 1.5264453821189372
Energy: 2.012244888748361
Energy: 1.5284174445851786
Energy: 1.7771157190256237
Energy: 1.9450503414111262
Energy: 1.7549082873401696
Energy: 1.526445382114733
Energy: 1.9716857602150468
Energy: 1.7424901605124226
Energy: 1.7204238346420042
Energy: 1.5358870072333712
Energy: 1.6912348741108114
Energy: 1.4872883253525744
Energy: 1.470225292160811
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Energy: 1.6912348741108114
Energy: 1.584124366420517
Energy: 1.591011454061282
Energy: 1.698310184497195
Energy: 1.4777511072616922
Energy: 1.4810804720309
Energy: 1.6981847245475272
Energy: 1.584124366420517
Energy: 1.591011454061282
Energy: 1.6983101845012492
Energy: 1.4777511072576384
Energy: 1.7615958465522938
Energy: 1.5690902482015177
Energy: 1.463789760813565
Energy: 1.5358632942257118
Energy: 1.7173945790987692
Energy: 1.5327452643082133
Energy: 1.7615958465522938
Energy: 1.5690902482057216
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Energy: 1.5358632942257118
Energy: 1.7675749820313558
Energy: 1.5623796532378345
Energy: 1.5933487978993275
Energy: 1.5100882477717417
Energy: 1.8268595494136668
Energy: 1.532477716425131
Energy: 1.76757498203541
Energy: 1.5623796532543508
Energy: 1.5933487978828111
Energy: 1.5100882477759459
Energy: 1.5890468792555539
Energy: 1.562279436630397
Energy: 1.7170868340388863
Energy: 1.548028472642229
Energy: 1.6764944812533578
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Energy: 1.7170868340388863
Energy: 1.548028472638175
Energy: 1.6689649900165244
Energy: 1.5880353609110542
Energy: 1.5642658962477283
Energy: 2.002920109965925
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Energy: 1.6689649900165244
Energy: 1.5880353609152584
Energy: 1.5642658962477283
Energy: 2.002920109965925
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Energy: 1.5224221203735722
Energy: 1.5149835146650183
Energy: 1.5802146433321973
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Energy: 1.534727175180641
Energy: 1.8795854028003742
Energy: 1.613509924907855
Energy: 1.6097596622854542
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Energy: 1.534727175180641
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Energy: 1.6343027524848743
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Energy: 1.548084347110641
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Energy: 1.5319073204215645
Energy: 1.7081758089151686
Energy: 1.5640378187310036
Energy: 1.5659364646331702
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Energy: 1.5659364646331702
Energy: 1.6050736236384493
Energy: 1.5191945199937025
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Energy: 1.5632581893099233
Energy: 1.535692445549361
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Energy: 1.7643316571422827
Energy: 1.5489222300359151
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Energy: 1.5629500221605865
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Energy: 1.5489222300359151
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Energy: 1.5629500221605865
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Energy: 1.5356677619339574
Energy: 1.926572889146521
Energy: 1.7700050899801993
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Energy: 1.600356683890286
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Energy: 1.5080506389918502
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Energy: 1.600356683886232
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Energy: 1.5819018649972423
Energy: 1.589374671468667
Energy: 1.7309980105678011
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Energy: 1.5819018649972423
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Energy: 1.6228881656364986
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Energy: 1.6228881656901017
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Energy: 1.7209238157784223
Energy: 1.5651133777306292
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Energy: 1.6566060225353454
Energy: 2.0414222200192262
Energy: 1.546090070533957
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Energy: 1.5545411507708027
Energy: 1.5085643698896158
Energy: 1.5966403624098244
Energy: 1.5787656591050914
Energy: 1.5037864525958218
Energy: 1.5725281871704917
Energy: 1.6916906454509129
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Energy: 1.5037864525958218
Energy: 1.5395476746213104
Energy: 1.5067398547752238
Energy: 1.5882326369129267
Energy: 1.7413322309217232
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Energy: 1.5882326369129267
Energy: 1.7413322309217232
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Energy: 1.4823686909921845
Energy: 1.7034916436286902
Energy: 1.5447928633972496
Energy: 1.6052100032673164
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Energy: 1.4476365441012269
Energy: 1.482368690996389
Energy: 1.7034916436244862
Energy: 1.5447928633972496
Energy: 1.9060165877130402
Energy: 1.5347332441767874
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Energy: 1.6944684333023363
Energy: 1.5615486939802463
Energy: 1.9060165877130402
Energy: 1.5347332441767874
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Energy: 1.5781541787973778
Energy: 1.6932166528777632
Energy: 1.5276920163492367
Energy: 1.5939797283265114
Energy: 1.579157956603872
Energy: 1.4882772860581315
Energy: 1.563092938155289
Energy: 1.6843733125783484
Energy: 1.5276920163534409
Energy: 1.5939797283265114
Energy: 1.579157956603872
Energy: 1.56883634936947
Energy: 1.6876916623545073
Energy: 1.5004490007211162
Energy: 1.5809013792139894
Energy: 1.7705138303616272
Energy: 1.5638191572431812
Energy: 1.56883634936947
Energy: 1.6876916623545073
Energy: 1.5004490007211162
Energy: 1.5809013792057311
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Energy: 1.9453748658618861
Energy: 1.502899371887885
Energy: 1.69543018777288
Energy: 1.5492835885335194
Energy: 1.62637437972575
Energy: 1.719836776794852
Energy: 1.9453748658618861
Energy: 1.502899371887885
Energy: 1.6954301877770839
Energy: 1.6700062812058116
Energy: 1.8963708882565498
Energy: 1.5329437788965914
Energy: 1.7186640139267373
Energy: 1.7380565121136107
Energy: 1.7703608143401341
Energy: 1.6700062811852414
Energy: 1.8963708882524957
Energy: 1.5329437788923874
Energy: 1.718664013918479
Energy: 1.5034673095250577
Energy: 1.6973933617117152
Energy: 1.5330494362652436
Energy: 1.6931490248902743
Energy: 1.579499435192671
Energy: 1.4805716427437823
Energy: 1.5034673095250577
Energy: 1.6973933617159194
Energy: 1.5330494362652436
Energy: 1.6931490248902743
Energy: 1.5700420675796707
Energy: 1.570729143202784
Energy: 1.6685523555511033
Energy: 1.4970514480053139
Energy: 1.4870357984782543
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Energy: 1.5700420675756164
Energy: 1.570729143202784
Energy: 1.6685523555511033
Energy: 1.4970514480053139
Energy: 1.6161735443381953
Energy: 1.562468055729229
Energy: 1.6099973645026466
Energy: 1.5339309027587782
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Energy: 1.5481443536321673
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Energy: 1.6099973645026466
Energy: 1.5339309027587782
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Energy: 1.7525965452259298
Energy: 1.5259177906436607
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Energy: 1.525833348970627
Energy: 1.7922347358469657
Energy: 1.5624202443747919
Energy: 1.752596545230134
Energy: 1.5259177906436607
Energy: 1.470863844287888
Energy: 1.5824770516277282
Energy: 1.715443301535072
Energy: 1.5346080231815522
Energy: 1.6910934043582797
Energy: 1.5027894548975098
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Energy: 1.715443301535072
Energy: 1.5346080231815522
Energy: 1.688799066520651
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Energy: 1.5900526387769143
Energy: 1.7154938184373865
Energy: 1.4780210092644233
Energy: 1.4784821823026761
Energy: 1.6887990665164472
Energy: 1.5721810630147697
Energy: 1.5900526387769143
Energy: 1.7154938184373865
Energy: 1.5343323784733018
Energy: 1.7690678091449556
Energy: 1.6550354383775818
Energy: 1.4693479021286033
Energy: 1.5368398125760891
Energy: 1.7124833693730706
Energy: 1.5343323784733018
Energy: 1.7690678091407515
Energy: 1.6550354383610655
Energy: 1.4693479021286033
Energy: 1.5268240980596388
Energy: 1.7959247961130145
Energy: 1.6155423071855488
Energy: 1.65947508978842
Energy: 1.5179142506433334
Energy: 1.8163519327996034
Energy: 1.5268240980596388
Energy: 1.7959247961130145
Energy: 1.6155423070287944
Energy: 1.65947508978842
Energy: 1.4880478874515153
Energy: 1.6551504790532672
Energy: 1.6541508486359875
Energy: 1.7180735490884416
Energy: 1.5486763643043397
Energy: 1.6715786820041032
Energy: 1.4880478874515153
Energy: 1.655150479049063
Energy: 1.6541508486359875
Energy: 1.7180735490884416
Energy: 1.495371425550113
Energy: 1.7153612272864376
Energy: 1.587542923583685
Energy: 1.5911843264641647
Energy: 1.6847440421924829
Energy: 1.4893347746292291
Energy: 1.495371425550113
Energy: 1.7153612272864376
Energy: 1.587542923583685
Energy: 1.5911843264682188
Energy: 1.7058100949023538
Energy: 1.5318303540765008
Energy: 1.7049690642642312
Energy: 1.5434453893787066
Energy: 1.468386767265197
Energy: 1.5800483636630513
Energy: 1.7058100949023538
Energy: 1.5318303540765008
Energy: 1.7049690642642312
Energy: 1.5434453893704485
Energy: 1.737519489218978
Energy: 1.5335166624140015
Energy: 1.7849383337113391
Energy: 1.556597309468844
Energy: 1.5930703768720658
Energy: 1.718956332567276
Energy: 1.7375194892147738
Energy: 1.5335166624182057
Energy: 1.7849383337113391
Energy: 1.5565973094358114
Energy: 1.6952691034061107
Energy: 1.5004072075567
Energy: 1.7569104977620957
Energy: 1.5633933417653225
Energy: 1.6968429131115617
Energy: 1.5451645465877089
Energy: 1.6952691034061107
Energy: 1.5004072075567
Energy: 1.7569104977620957
Energy: 1.5633933417695267

minimum gb energy = 1.4476365441012269 eV
minimum distance =  2.27362587980372 Angstroms
sigma value = 185


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

Energy: 2.0000577673262296
Energy: 1.5792260746930529
Energy: 1.8916047923308426
Energy: 2.0838082697078435
Energy: 1.8917848344435537
Energy: 1.6788536152328428
Energy: 2.0000577673213282
Energy: 1.579226074697954
Energy: 1.8916047923357437
Energy: 2.03744905489538
Energy: 1.9346239224426771
Energy: 1.76454292293416
Energy: 1.5333808125406543
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Energy: 1.6509082095340102
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Energy: 1.6406362690250202
Energy: 1.8447973032257015
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Energy: 1.8808423924976527
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Energy: 1.880842392492751
Energy: 1.8801924388156919
Energy: 1.8845776319187313
Energy: 1.524421190589954
Energy: 1.6441969521667275
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Energy: 1.7612344679463985
Energy: 1.6430337998771365
Energy: 1.55594409730592
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Energy: 1.7612344679562013
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Energy: 1.5562702797385701
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Energy: 1.658099653823521
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Energy: 1.643396876217756
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Energy: 1.5151459931763473
Energy: 1.567239196760223
Energy: 1.5397038909103546
Energy: 1.6433968762079534
Energy: 1.5252809176965876
Energy: 1.9550652944170024
Energy: 1.8888719519890769
Energy: 1.9201285697665142
Energy: 1.548055018040537
Energy: 1.581843084245276
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Energy: 1.5251514239448405
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Energy: 1.5818430842403743
Energy: 1.6437410722623205
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Energy: 1.9039361293049535
Energy: 1.6234639308023753
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Energy: 1.6437410722623205
Energy: 1.5344821139697937
Energy: 1.58404307585452
Energy: 1.9039361293000523
Energy: 1.8391229262396143
Energy: 1.8913190363868833
Energy: 1.5909378518737283
Energy: 1.914456047727367
Energy: 1.5890796718260214
Energy: 1.8916047923357437
Energy: 2.0139432056226325
Energy: 1.891319036396686
Energy: 1.5909378518786297
Energy: 1.914456047727367
Energy: 1.6406362690299214
Energy: 1.5512667893136372
Energy: 1.6234639308121783
Energy: 1.898492533234535
Energy: 1.7645429229243572
Energy: 1.5333808125406543
Energy: 1.6406362690299214
Energy: 1.551266789308736
Energy: 1.6234639308023753
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Energy: 1.8878119511654512
Energy: 1.523836368822914
Energy: 1.594644918864393
Energy: 1.844797303235504
Energy: 1.5506565664685346
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Energy: 1.8878119511703524
Energy: 1.5238363688131114
Energy: 1.5946449188545904
Energy: 1.8447973032306029
Energy: 1.5395929964742163
Energy: 1.5078461234890683
Energy: 1.5134691152465918
Energy: 1.837848613571329
Energy: 1.5266660151839415
Energy: 1.6436185219244852
Energy: 1.539592996464413
Energy: 1.5078461235037728
Energy: 1.513469115271099
Energy: 1.8378486135615262
Energy: 1.8098774610838781
Energy: 1.8822302391367194
Energy: 1.6912148651757053
Energy: 1.9578147740726908
Energy: 1.5346090311100786
Energy: 1.6448458866059308
Energy: 1.8098774610838781
Energy: 1.882230239131818
Energy: 1.6912148651806065
Energy: 1.9578147740579865
Energy: 1.55594409730592
Energy: 1.5057703356045975
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Energy: 1.6163622749199127
Energy: 1.7612344679611027
Energy: 1.6367509814220549
Energy: 1.5559440973108214
Energy: 1.5057703356094987
Energy: 1.806036288369362
Energy: 1.6417649092667
Energy: 1.5236004178983187
Energy: 1.6446501872276378
Energy: 1.5121508421178727
Energy: 1.5562443738578415
Energy: 1.676896800402015
Energy: 1.8912272447071394
Energy: 1.52360041790322
Energy: 1.6446501872227366
Energy: 1.512150842112971
Energy: 1.5562443738578415
Energy: 1.7432297285288743
Energy: 1.5113440243946612
Energy: 1.906452432530916
Energy: 1.6580996538186197
Energy: 1.6434690829435774
Energy: 1.5334123233344614
Energy: 1.7432297285337757
Energy: 1.5113440244044642
Energy: 1.9064524325358176
Energy: 1.6580996538039154
Energy: 1.9550652944219038
Energy: 1.5151459931812488
Energy: 1.567239196760223
Energy: 1.5397038909103546
Energy: 1.6433968762128546
Energy: 1.525280917701489
Energy: 1.955065294412101
Energy: 1.5151459931861502
Energy: 1.5672391967553219
Energy: 1.539703890915256
Energy: 1.5518993103541292
Energy: 1.6285187385032178
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Energy: 1.8888719519890769
Energy: 1.8808423925074553
Energy: 1.5480550180454387
Energy: 1.5518993103541292
Energy: 1.628518738493415
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Energy: 1.888871952003781
Energy: 1.9299071187824373
Energy: 1.6509082095438132
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Energy: 1.9299071187824373
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Energy: 1.6392834491356028
Energy: 2.0000577673262296
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Energy: 1.6788536152377442
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Energy: 1.5792260746881515
Energy: 1.8916047923357437
Energy: 2.03744905489538
Energy: 1.9346239224377757
Energy: 1.7645429229292584
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Energy: 1.551266789308736
Energy: 1.6509082095389116
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Energy: 1.533380812545556
Energy: 1.6406362690250202
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Energy: 1.8801924388058886
Energy: 1.523836368822914
Energy: 1.5867769440317552
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Energy: 1.5502139203188698
Energy: 1.880842392492751
Energy: 1.8801924388156919
Energy: 1.8845776319187313
Energy: 1.524421190589954
Energy: 1.6441969521667275
Energy: 1.5393901078728562
Energy: 1.6830972758052707
Energy: 1.5125436492689945
Energy: 1.8845776319383367
Energy: 1.524421190589954
Energy: 1.6441969521569249
Energy: 1.5393901078728562
Energy: 1.9578147740677894
Energy: 1.5346090311149803
Energy: 1.6448458865912265
Energy: 1.8098774610887796
Energy: 1.9075900865814688
Energy: 1.69175793359871
Energy: 1.9578147740628882
Energy: 1.5346090311100786
Energy: 1.6448458866108324
Energy: 1.8098774610789767
Energy: 1.523771612611542
Energy: 1.7612344679512997
Energy: 1.6430337998624323
Energy: 1.55594409730592
Energy: 1.5543184298395922
Energy: 1.7931060772743261
Energy: 1.6383794349322285
Energy: 1.7612344679562013
Energy: 1.643033799857531
Energy: 1.5559440973108214
Energy: 1.5562702797385701
Energy: 1.733647265499635
Energy: 1.8913052569011615
Energy: 1.5236004179081213
Energy: 1.6446501872276378
Energy: 1.512150842112971
Energy: 1.5562702797385701
Energy: 1.6759646511158355
Energy: 1.89130525689626
Energy: 1.523600417893417
Energy: 1.6580996538088169
Energy: 1.7016126018721116
Energy: 1.5338473434300286
Energy: 1.7432297285288743
Energy: 1.5113440243799572
Energy: 1.9064524325358176
Energy: 1.658099653833324
Energy: 1.701612601877013
Energy: 1.5338473434202258
Energy: 1.7432297285288743
Energy: 1.539703890915256
Energy: 1.6433968762226578
Energy: 1.5252809177063904
Energy: 1.9550652944268052
Energy: 1.5151459931812488
Energy: 1.567239196760223
Energy: 1.5397038909103546
Energy: 1.6433968762128546
Energy: 1.5252809176916862
Energy: 1.9550652944219038
Energy: 1.8888719519890769
Energy: 1.9201285697665142
Energy: 1.548055018040537
Energy: 1.5818430842403743
Energy: 1.6285187384983164
Energy: 1.5251514239448405
Energy: 1.8888719519988795
Energy: 1.9201285697665142
Energy: 1.54805501805034
Energy: 1.5818430842403743
Energy: 1.6437410722623205
Energy: 1.5344821139795966
Energy: 1.5840430758447175
Energy: 1.9039361293000523
Energy: 1.6234639307974739
Energy: 1.5491860005015183
Energy: 1.6437410722623205
Energy: 1.5344821139746951
Energy: 1.584043075849619
Energy: 1.9039361292951507

minimum gb energy = 1.5057703356045975 eV
minimum distance =  2.18706794780995 Angstroms
sigma value = 33


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

Energy: 1.8693590054211298
Energy: 1.8587379844348386
Energy: 1.8084978212468914
Energy: 2.120720806812893
Energy: 1.814244922305898
Energy: 1.8591270063313179
Energy: 1.8693590054211298
Energy: 1.8587379844348386
Energy: 1.8084978212468914
Energy: 2.120720806812893
Energy: 1.9163360835146346
Energy: 1.88366706848717
Energy: 1.5788652844009332
Energy: 1.6836959815962669
Energy: 1.6016499560330892
Energy: 1.6119447013399277
Energy: 1.9163360835146346
Energy: 1.88366706848717
Energy: 1.5788652844036728
Energy: 1.683695981593527
Energy: 1.7741293690003148
Energy: 1.5782896371106874
Energy: 1.823287110206241
Energy: 1.861536482628341
Energy: 1.5887737508829176
Energy: 1.6072073729574978
Energy: 1.7741293690029565
Energy: 1.5782896371106874
Energy: 1.823287110206241
Energy: 1.8615364826229592
Energy: 1.67300703558907
Energy: 1.5788739368084177
Energy: 1.7069563007891468
Energy: 1.8513206898488905
Energy: 1.8497396155926724
Energy: 1.8761436332533297
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Energy: 1.5788739368084177
Energy: 1.7069563007891468
Energy: 1.8513206898516301
Energy: 1.7075417809940827
Energy: 1.5782151034770495
Energy: 1.6971170680924184
Energy: 1.8799018288536866
Energy: 1.7038179870252157
Energy: 1.8514602548618033
Energy: 1.7075417809940827
Energy: 1.5782151034824312
Energy: 1.6971170680977998
Energy: 1.8799018288564264
Energy: 1.9614214324126753
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Energy: 1.6366255995374661
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Energy: 1.6704905689015805
Energy: 1.9112287757090811
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Energy: 1.8998530605785289
Energy: 1.6171702678274558
Energy: 1.6178284968645658
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Energy: 2.0685838035241413
Energy: 1.5789030613216957
Energy: 1.6833698880937782
Energy: 1.6171702678274558
Energy: 1.6178284968645658
Energy: 1.9493094424802366
Energy: 2.0685838035295228
Energy: 1.5874720295145046
Energy: 1.600669725465081
Energy: 1.77420373258497
Energy: 1.579958618924825
Energy: 1.8045397496754756
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Energy: 1.5874720295145046
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Energy: 1.579958618924825
Energy: 1.8736177442749873
Energy: 1.7434335376325056
Energy: 1.8210737839783264
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Energy: 1.7080679262888785
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Energy: 1.7434335376325056
Energy: 1.8210737839783264
Energy: 1.5807471836792861
Energy: 1.7087897521733368
Energy: 1.852576774080198
Energy: 1.671981700289166
Energy: 1.58045945079007
Energy: 1.690291061343387
Energy: 1.8876417851630363
Energy: 1.7087897521759787
Energy: 1.852576774080198
Energy: 1.6719817002919055
Energy: 1.58045945079007
Energy: 1.5883426242562
Energy: 1.714490475394034
Energy: 1.9784631341505878
Energy: 1.5650683019544864
Energy: 1.611355632848275
Energy: 1.600081237824912
Energy: 1.5883426242589396
Energy: 1.7144904753967738
Energy: 1.9784631341533274
Energy: 1.5650683019544864
Energy: 1.593118487828269
Energy: 1.6810889881853095
Energy: 1.6719502391340726
Energy: 1.7655079454190454
Energy: 1.9155650112027565
Energy: 1.6508547918120882
Energy: 1.5931184878310087
Energy: 1.6810889881879516
Energy: 1.6719502391313332
Energy: 1.7655079454190454
Energy: 1.715849506731288
Energy: 1.7056793912008805
Energy: 1.8114537866692575
Energy: 1.838674999985822
Energy: 1.7973144359807098
Energy: 1.9150705428983943
Energy: 1.715849506731288
Energy: 1.7056793912116435
Energy: 1.8114537866692575
Energy: 1.838674999985822
Energy: 1.5791992924835072
Energy: 1.6760333660333766
Energy: 1.6195668285292288
Energy: 1.6180181611476911
Energy: 1.7543430347614049
Energy: 1.9029330266749644
Energy: 1.5791992924835072
Energy: 1.6760333660360185
Energy: 1.6195668285292288
Energy: 1.6180181611503328
Energy: 1.6287277234461064
Energy: 1.8648599370752967
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Energy: 1.6704890351795099
Energy: 1.7030267116009812
Energy: 2.0812042781564375
Energy: 1.8608237798747154
Energy: 1.801953599854692
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Energy: 1.5994125098309477
Energy: 1.6132425953267722
Energy: 1.5924747586287729
Energy: 1.8527403988705677
Energy: 1.801953599854692
Energy: 1.6619110749294799
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Energy: 1.6132425953240324
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Energy: 1.7187002606522703
Energy: 1.72504077135435
Energy: 1.6129833528751105
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Energy: 1.5921970956368205
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Energy: 1.72504077135435
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Energy: 1.9885928387218579
Energy: 1.7146932658650202
Energy: 1.8541637147939676
Energy: 1.874400484546313
Energy: 1.6917933355772041

minimum gb energy = 1.5543801564574062 eV
minimum distance =  2.22140648188075 Angstroms
sigma value = 219


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

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Energy: 1.5561766277868474
Energy: 1.529334049459115
Energy: 1.7170590731708273
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Energy: 1.5457920918692931
Energy: 1.531055840912416
Energy: 1.5295196572426333
Energy: 1.507875004451171
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Energy: 1.5310558409106352
Energy: 1.5295196572408525
Energy: 1.5303880030793495
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Energy: 1.5574174122476252
Energy: 1.5303880030829113
Energy: 1.577191440538926
Energy: 1.5290369632338083
Energy: 1.7257681434204082

minimum gb energy = 1.507875004451171 eV
minimum distance =  2.33527639785029 Angstroms
sigma value = 15


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

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Energy: 1.780651795478108
Energy: 2.1055727010996104
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Energy: 1.8075270174522629
Energy: 1.8441611023385436
Energy: 1.83012097736522
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minimum gb energy = 1.7412333524618648 eV
minimum distance =  2.22977348096256 Angstroms
sigma value = 293


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

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Energy: 1.8164919053196404
Energy: 1.9096974511715785
Energy: 1.807675529466226
Energy: 1.7349486318124676
Energy: 2.025771268203706
Energy: 1.7919272162066668
Energy: 1.7927604636962764
Energy: 1.871810681694887
Energy: 1.8178942961669002
Energy: 1.828987663743123
Energy: 1.9845618480151004
Energy: 1.7826341580136056
Energy: 1.7927604637002985
Energy: 1.871810681694887
Energy: 1.8178942961709226
Energy: 1.8289876637511675
Energy: 1.8943042029688066
Energy: 1.6945358184665935
Energy: 1.8474420450293192
Energy: 1.7849408070436694
Energy: 1.8526079788837226
Energy: 1.7844469935730491
Energy: 1.8943042029728288
Energy: 1.6945358184665935
Energy: 1.8474420450293192
Energy: 1.7849408070436694
Energy: 1.7686598632683246
Energy: 1.8291235686373928
Energy: 1.8165463701832039
Energy: 1.7784682633979771
Energy: 1.7856615045967001
Energy: 1.956963474537727
Energy: 1.7686598632723471
Energy: 1.8291235686333702
Energy: 1.8165463701832039
Energy: 1.7784682633979771
Energy: 1.9402689107694158
Energy: 1.8840190444123786
Energy: 1.7893015616117398
Energy: 2.0856934920538612
Energy: 1.78925599052106
Energy: 1.883822572355263
Energy: 1.9402689107734379
Energy: 1.8840190444123786
Energy: 1.7893015616117398
Energy: 2.0856934920538612
Energy: 1.768374801901106
Energy: 1.9650416338066632
Energy: 1.7858546109322992
Energy: 1.7783629180189007
Energy: 1.8168475122927392
Energy: 1.8289907199709485
Energy: 1.768374801901106
Energy: 1.9650416338066632
Energy: 1.7858546109322992
Energy: 1.7783629180189007
Energy: 1.8942354089070872
Energy: 1.7846997106844318
Energy: 1.8513239690403556
Energy: 1.7824288578543026
Energy: 1.8417881944136378
Energy: 1.6945655041622298
Energy: 1.8942354089070872
Energy: 1.7846997106844318
Energy: 1.8513239690403556
Energy: 1.7824288578583247
Energy: 1.7925978397841038
Energy: 1.7825376902205854
Energy: 1.9853191975557782
Energy: 1.8287586682978814
Energy: 1.8180939588941762
Energy: 1.871923771543402
Energy: 1.7925978397841038
Energy: 1.782537690224608
Energy: 1.9853191975557782
Energy: 1.8287586683019037
Energy: 1.80775014646367
Energy: 1.9096974511755276
Energy: 1.8164010039460465
Energy: 1.7918820668493534
Energy: 2.025771268203706
Energy: 1.7349520738967539
Energy: 1.80775014646367
Energy: 1.9096974511755276
Energy: 1.8164010039420242
Energy: 1.791882066853376
Energy: 1.7692662524969844
Energy: 1.8238789635797426
Energy: 1.7849114847322634
Energy: 1.9577757636198163
Energy: 1.773894479532036
Energy: 1.8570541785486738
Energy: 1.7692662524969844
Energy: 1.8238789635797426
Energy: 1.784911484736286
Energy: 1.9577757636198163
Energy: 1.7897627169375705
Energy: 1.8501989093229858
Energy: 1.822433682480502
Energy: 1.922121088381001
Energy: 1.7987804579009266
Energy: 1.8908510879723424
Energy: 1.7897627169375705
Energy: 1.8501989093229858
Energy: 1.8224336824845244
Energy: 1.922121088397017
Energy: 1.7963698538893151
Energy: 1.8338669568832409
Energy: 1.8338831897518397
Energy: 1.8004339429073393
Energy: 1.769375918342423
Energy: 1.7706346957953938
Energy: 1.7963698538933375
Energy: 1.8338669568792185
Energy: 1.833883189755862
Energy: 1.8004339429113616
Energy: 1.9222637391629402
Energy: 1.8216816832819378
Energy: 1.8513296165259256
Energy: 1.7892222718979434
Energy: 1.8908323048536722
Energy: 1.7985854873608993
Energy: 1.922263739170985
Energy: 1.8216816832819378
Energy: 1.8513296165259256
Energy: 1.7892222718979434
Energy: 1.9580069007812253
Energy: 1.784849836493569
Energy: 1.8234697017427353
Energy: 1.7692899473298596
Energy: 1.8560119100693848
Energy: 1.774267415750322
Energy: 1.9580069007812253
Energy: 1.784849836493569
Energy: 1.8234697017427353
Energy: 1.7692899473338817
Energy: 1.7919272162106161
Energy: 1.816491905323663
Energy: 1.9096974511715785
Energy: 1.8076755294622036
Energy: 1.7349486318124676
Energy: 2.025771268203706
Energy: 1.7919272162106161
Energy: 1.8164919053196404
Energy: 1.9096974511755276
Energy: 1.807675529466226
Energy: 1.828987663743123
Energy: 1.9845618480151004
Energy: 1.7826341580136056
Energy: 1.7927604637002985
Energy: 1.8718106816908646
Energy: 1.8178942961669002
Energy: 1.8289876637471452
Energy: 1.9845618480151004
Energy: 1.7826341580136056
Energy: 1.792760463704321

minimum gb energy = 1.6945358184665935 eV
minimum distance =  2.22072725399622 Angstroms
sigma value = 293


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

Energy: 1.4644159471520244
Energy: 1.889018415128447
Energy: 1.576119671661864
Energy: 2.0660365710612147
Energy: 1.5760974798941578
Energy: 1.8894075789559932
Energy: 1.4644159471542053
Energy: 1.889018415126993
Energy: 1.576119671659749
Energy: 1.8950009869322084
Energy: 1.6112174246082742
Energy: 2.206206535085445
Energy: 1.570675958257651
Energy: 2.0363197220049587
Energy: 2.0198952537002666
Energy: 1.6061027197327877
Energy: 1.6112174246090674
Energy: 1.8950220250471093
Energy: 1.5706759582612198
Energy: 2.0363197220064126
Energy: 1.5544258994972264
Energy: 1.4648017161936802
Energy: 1.9994587364843779
Energy: 1.4637447271906734
Energy: 1.6303911206150463
Energy: 1.518682259702911
Energy: 1.5544258994922036
Energy: 1.464801716195861
Energy: 1.999458736485832
Energy: 1.4637447271986703
Energy: 1.9995245853719392
Energy: 1.4648477667052417
Energy: 1.5543265820601642
Energy: 1.5186767472392655
Energy: 1.6304490102156175
Energy: 1.4637284392182053
Energy: 1.9995245853748473
Energy: 1.464847766703788
Energy: 1.5543265820543481
Energy: 1.5186767472378115
Energy: 1.5756132024567855
Energy: 2.3055737930307085
Energy: 1.6132524885704569
Energy: 1.6060713982492356
Energy: 2.0197170932605975
Energy: 1.8151803083472406
Energy: 1.5756132024596932
Energy: 2.305573793032823
Energy: 1.613252488569003
Energy: 1.6060713982419657
Energy: 1.5760974798978589
Energy: 1.9078031144818275
Energy: 1.4644159471505702
Energy: 1.889018415128447
Energy: 1.576119671661864
Energy: 1.895000986924145
Energy: 1.5760974798985194
Energy: 1.8894075789567861
Energy: 1.4644159471527511
Energy: 1.8890184151292402
Energy: 2.0198952537017205
Energy: 1.6061027197356956
Energy: 1.6112174246082742
Energy: 2.051007931852975
Energy: 1.5706759582597658
Energy: 2.0363197220041656
Energy: 2.0198952536988126
Energy: 1.6061027197305404
Energy: 1.6112174246111823
Energy: 1.8950220250456553
Energy: 1.6303911206106843
Energy: 1.518682259702911
Energy: 1.5544258994885025
Energy: 1.464801716192953
Energy: 1.9994587364829242
Energy: 1.4637447271863115
Energy: 1.6303911206077761
Energy: 1.518682259702911
Energy: 1.5544258994972264
Energy: 1.464801716195134
Energy: 1.6304490102220943
Energy: 1.4637284391593182
Energy: 1.9995245853704853
Energy: 1.4648477667052417
Energy: 1.554326582055802
Energy: 1.5186767472378115
Energy: 1.6304490102177325
Energy: 1.4637284391694965
Energy: 1.9995245853711463
Energy: 1.464847766706696
Energy: 2.0197170932620514
Energy: 2.0364418901193804
Energy: 1.5756132024575784
Energy: 2.305573793033616
Energy: 1.6132524885719108
Energy: 1.6060713982317878
Energy: 2.01971709326139
Energy: 1.8151803049282396
Energy: 1.5756132024582392
Energy: 2.305573793033616
Energy: 1.576119671661864
Energy: 2.066036571048922
Energy: 1.5760974798985194
Energy: 1.6654330231727288
Energy: 1.46441594715784
Energy: 1.8890184151248781
Energy: 1.576119671661203
Energy: 1.8950009869278464
Energy: 1.5760974798941578
Energy: 1.8894075789567861
Energy: 1.5706759582583119
Energy: 1.8421237804389763
Energy: 2.019895253700928
Energy: 1.6061027197247244
Energy: 1.6112174246090674
Energy: 1.8950220250463163
Energy: 1.5706759582663747
Energy: 2.0363197220041656
Energy: 2.0198952537002666
Energy: 1.6061027197371494
Energy: 1.999458736483585
Energy: 1.4637447271906734
Energy: 1.6303911206077761
Energy: 1.518682259702911
Energy: 1.5544258994914102
Energy: 1.464801716195134
Energy: 1.9994587364843779
Energy: 1.4637447271732256
Energy: 1.6303911206077761
Energy: 1.518682259704365
Energy: 1.554326582057256
Energy: 1.5186767472392655
Energy: 1.6304490102156175
Energy: 1.4637284392196592
Energy: 1.9995245853704853
Energy: 1.4648477667052417
Energy: 1.5543265820601642
Energy: 1.5186767472384721
Energy: 1.6304490102156175
Energy: 1.4637284391760395
Energy: 1.61325248857125
Energy: 1.6060713982448735
Energy: 2.019717093259143
Energy: 2.0364418901200416
Energy: 1.5756132024575784
Energy: 2.305573793033616
Energy: 1.61325248857125
Energy: 1.6060713982426267
Energy: 2.0197170932584823
Energy: 1.967515379599851
Energy: 1.4644159471505702
Energy: 1.889018415128447
Energy: 1.576119671661864
Energy: 1.8950009869293003
Energy: 1.5760974798941578
Energy: 1.9078031144818275
Energy: 1.46441594715784
Energy: 1.889018415128447
Energy: 1.576119671661864
Energy: 1.895000986924145
Energy: 1.611217424610521
Energy: 1.8950220250463163
Energy: 1.5706759582561969
Energy: 1.8421237804375223
Energy: 2.019895253699474
Energy: 1.6061027197356956
Energy: 1.6112174246119753
Energy: 1.8950220250463163
Energy: 1.570675958262674
Energy: 2.0363197220041656
Energy: 1.5544258994957723
Energy: 1.464801716192953
Energy: 1.999458736485039
Energy: 1.4637447271993975
Energy: 1.6303911206158392
Energy: 1.5186822597037042
Energy: 1.5544258994841404
Energy: 1.4648017161936802
Energy: 1.999458736485832
Energy: 1.4637447271870383
Energy: 1.9995245853711463
Energy: 1.4648477667052417
Energy: 1.554326582055802
Energy: 1.5186767472384721
Energy: 1.6304490102191864
Energy: 1.4637284391665886
Energy: 1.9995245853726
Energy: 1.4648477667052417
Energy: 1.5543265820595031
Energy: 1.5186767472384721
Energy: 1.5756132024575784
Energy: 2.305573793032823
Energy: 1.6132524885704569
Energy: 1.6060713982469885
Energy: 2.0197170932599366
Energy: 2.0364418901193804
Energy: 1.5756132024582392
Energy: 2.305573793033616
Energy: 1.6132524885697959
Energy: 1.606071398240512
Energy: 1.576097479894951
Energy: 1.6429786934674484
Energy: 1.4644159471527511
Energy: 1.889018415129901
Energy: 1.5761196716604098
Energy: 1.895000986931415
Energy: 1.5760974798964047
Energy: 1.8894075789567861
Energy: 1.464415947156386
Energy: 1.8890184151277862
Energy: 2.0198952537002666
Energy: 1.6061027197371494
Energy: 1.6112174246111823
Energy: 1.8950220250456553
Energy: 1.570675958259105
Energy: 1.9673941463381701
Energy: 2.0198952537002666
Energy: 1.6061027197319944
Energy: 1.6112174246097284
Energy: 1.8950220250471093

minimum gb energy = 1.4637284391593182 eV
minimum distance =  2.27983885795326 Angstroms
sigma value = 15


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

Energy: 2.0124500391088733
Energy: 1.8704322644626508
Energy: 1.7926187677235363
Energy: 2.242352836314653
Energy: 1.7927817527356968
Energy: 1.870481518900184
Energy: 2.0124500391122284
Energy: 1.8704322644592954
Energy: 1.7926187677268917
Energy: 2.242352836314653
Energy: 1.8742479860771049
Energy: 1.8357221974129934
Energy: 1.7792065017995942
Energy: 1.7615043464104978
Energy: 1.7672068751602692
Energy: 1.7748586011834098
Energy: 1.8742479860771049
Energy: 1.8357221973998115
Energy: 1.7792065017962386
Energy: 1.7615043464104978
Energy: 1.8443973548808859
Energy: 1.742490812908695
Energy: 1.9203137992710415
Energy: 1.7555069788963424
Energy: 1.8186128025398136
Energy: 1.8363248393117237
Energy: 1.8443973548808859
Energy: 1.7424908129120504
Energy: 1.9203137992742771
Energy: 1.7555069788963424
Energy: 1.8551438540032565
Energy: 1.7427787990083983
Energy: 1.7716878574780173
Energy: 1.754558361660049
Energy: 1.801411334931639
Energy: 1.714173549015329
Energy: 1.8551438540032565
Energy: 1.7427787990051626
Energy: 1.7716878574714263
Energy: 1.754558361660049
Energy: 1.7610246529467888
Energy: 1.9656134504714344
Energy: 1.726947389730793
Energy: 1.7984690498724265
Energy: 1.7085324125306418
Energy: 1.7451990585517247
Energy: 1.7610246529435531
Energy: 1.970574270405321
Energy: 1.726947389730793
Energy: 1.7984690498724265
Energy: 1.7634929644539377
Energy: 1.891820995375113
Energy: 1.842141675831355
Energy: 1.8099258328041727
Energy: 1.7480623381181284
Energy: 1.9400648362341772
Energy: 1.7634929644505821
Energy: 1.891820995375113
Energy: 1.842141675831355
Energy: 1.8099258327876355
Energy: 1.996785566299583
Energy: 1.6838829189961895
Energy: 1.7830879189639073
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Energy: 1.9967855662963474
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Energy: 1.7830879189672628
Energy: 1.7733963750171686
Energy: 1.8994838051265548
Energy: 1.9661958455623005
Energy: 1.8062512572140776
Energy: 1.7979432333294212
Energy: 1.6890767937365228
Energy: 1.7572026767934095
Energy: 1.8994838051299099
Energy: 1.9661958455623005
Energy: 1.8062512572140776
Energy: 1.7979432333260659
Energy: 1.7551917984511038
Energy: 1.8906446742014422
Energy: 1.9259213034419178
Energy: 1.751362088320228
Energy: 1.7273749664966567
Energy: 1.7096463736331333
Energy: 1.7551917984511038
Energy: 1.8906446742014422
Energy: 1.9259213034451534
Energy: 1.751362088320228
Energy: 1.7937303149725803
Energy: 1.8075771166077623
Energy: 1.7611257624971859
Energy: 1.9296729074700498
Energy: 1.7707030579303775
Energy: 1.7437154903876235
Energy: 1.7937303149725803
Energy: 1.8075771166077623
Energy: 1.7611257625004215
Energy: 1.9296729074666943
Energy: 1.7283266338681367
Energy: 1.801722199895043
Energy: 1.705041050586136
Energy: 1.9004073911321764
Energy: 1.7552355873840881
Energy: 1.7916899798169699
Energy: 1.7283266338713723
Energy: 1.8017221998982786
Energy: 1.7050410505894915
Energy: 1.900407391135412
Energy: 1.7850084809318696
Energy: 1.8389151279102656
Energy: 2.0414633148311925
Energy: 1.7379541041492057
Energy: 1.765002474211478
Energy: 1.7156518328108274
Energy: 1.785008480928514
Energy: 1.8389151279102656
Energy: 2.0414633148311925
Energy: 1.7379541041492057
Energy: 1.8481978714188279
Energy: 1.7625256709554031
Energy: 1.950038567145253
Energy: 1.8783550483615956
Energy: 1.7474004792742657
Energy: 1.7161626503358576
Energy: 1.8481978714188279
Energy: 1.7625256709554031
Energy: 1.950038567145253
Energy: 1.8783550483648312
Energy: 1.7642327688484383
Energy: 1.9763869640033034
Energy: 1.7387547200286897
Energy: 1.8506785257067053
Energy: 1.7642744235493408
Energy: 1.7545464137775248
Energy: 1.7642327688517938
Energy: 1.9763869640033034
Energy: 1.7387547200320452
Energy: 1.8506785257067053
Energy: 1.7425455130463448
Energy: 1.9559050307558665
Energy: 1.9081024418687123
Energy: 1.8084009945870356
Energy: 1.8610910088735362
Energy: 1.8247747091513198
Energy: 1.7425455130463448
Energy: 1.955905030752631
Energy: 1.908102441865357
Energy: 1.8084009945870356
Energy: 1.6989214576727392
Energy: 1.754298090335334
Energy: 1.8651340031135832
Energy: 1.958189909418488
Energy: 1.758597432009735
Energy: 1.7871588364564708
Energy: 1.6989214576727392
Energy: 1.754298090335334
Energy: 1.8651340031102277
Energy: 1.958189909418488
Energy: 1.8063099541624816
Energy: 1.8023170570750882
Energy: 1.7928929499000077
Energy: 1.988423193967488
Energy: 1.918222220484786
Energy: 1.7562109884998114
Energy: 1.8063099541591263
Energy: 1.8023170570750882
Energy: 1.7928929499000077
Energy: 1.988423193967488
Energy: 1.8498749373062495
Energy: 1.7535753845372075
Energy: 1.8558242173430834
Energy: 1.701885740836954
Energy: 2.0032253143587146
Energy: 1.774465180281317
Energy: 1.8498749373062495
Energy: 1.7535753845372075
Energy: 1.8558242173430834
Energy: 1.701885740836954
Energy: 1.6884485454418952
Energy: 1.8263673079801248
Energy: 1.8351930864125492
Energy: 1.9623718636936616
Energy: 1.7461460635304238
Energy: 1.8063085081615053
Energy: 1.6884485454451308
Energy: 1.8263673079833602
Energy: 1.8351930864159045
Energy: 1.9623718636936616
Energy: 1.7531180558987927
Energy: 1.787880332494192
Energy: 1.760789908977118
Energy: 1.943127277898198
Energy: 1.8727412320045072
Energy: 1.758502293089915
Energy: 1.7531180558987927
Energy: 1.787880332494192
Energy: 1.760789908977118
Energy: 1.943127277898198
Energy: 1.7543098171727405
Energy: 1.7207640124820143
Energy: 1.7934884274790839
Energy: 1.7350958731920914
Energy: 1.8810069289274634
Energy: 1.724504951676913
Energy: 1.7543098171727405
Energy: 1.7207640124820143
Energy: 1.7934884274823195
Energy: 1.7350958731954467
Energy: 1.7230004273268975
Energy: 1.7726594222018357
Energy: 1.9710068906408658
Energy: 1.8207181076137553
Energy: 1.8218533637508405
Energy: 1.8417565859726925
Energy: 1.7230004273268975
Energy: 1.772659422205191
Energy: 1.9710068906342746
Energy: 1.8207181076171106
Energy: 1.798855467322977
Energy: 1.7397884593367672
Energy: 1.759061907906877
Energy: 2.0004901395941643
Energy: 1.887637860788777
Energy: 1.734205113129357
Energy: 1.798855467322977
Energy: 1.7397884593335315
Energy: 1.759061907906877
Energy: 2.0004901395941643
Energy: 1.7493616008011887
Energy: 1.9284080386654905
Energy: 1.7584058070821103
Energy: 1.8026119924536668
Energy: 1.966563719163511
Energy: 1.8890918587911223
Energy: 1.749361600797953
Energy: 1.9284080386654905
Energy: 1.7584058070821103
Energy: 1.8026119924536668
Energy: 1.7510713933115456
Energy: 1.8247722774290165
Energy: 1.6852388180297038
Energy: 1.801256450097662
Energy: 1.6849580536022661
Energy: 1.971394193429494
Energy: 1.7510713933115456
Energy: 1.8247722774256612
Energy: 1.6852388180297038
Energy: 1.801256450097662
Energy: 1.878222184892739
Energy: 1.732798883101957
Energy: 1.7589673460963677
Energy: 1.7977459381547398
Energy: 1.8549473854698506
Energy: 1.7522235775254926
Energy: 1.878222184892739
Energy: 1.732798883101957
Energy: 1.7589673460963677
Energy: 1.7977459381547398
Energy: 1.782024096739701
Energy: 1.7575010844763785
Energy: 1.7873662101071577
Energy: 1.7499063845872127
Energy: 1.9072515899683948
Energy: 1.763036503478399
Energy: 1.799749189726689
Energy: 1.7575010844796142
Energy: 1.7873662101039225
Energy: 1.7499063845872127
Energy: 1.6789269366583521
Energy: 1.8107053745180233
Energy: 1.722128049493306
Energy: 1.7342193604642464
Energy: 1.7600667484336874
Energy: 1.9773719866850263
Energy: 1.6789269366583521
Energy: 1.8107053745180233
Energy: 1.7221280494965416
Energy: 1.7342193604642464
Energy: 1.9018730463522737
Energy: 1.73618117781371
Energy: 1.7744240815076682
Energy: 2.0024926818604434
Energy: 1.7581661141647515
Energy: 1.851488806356467
Energy: 1.9018730463522737
Energy: 1.7361811778103549
Energy: 1.7744240815076682
Energy: 2.002492681850617
Energy: 1.676982483557209
Energy: 1.893299525830008
Energy: 1.7700490143208554
Energy: 1.7687208438094553
Energy: 1.981562469887494
Energy: 1.7739285652101813
Energy: 1.676982483557209
Energy: 1.893299525830008
Energy: 1.7700490143208554
Energy: 1.7687208438094553
Energy: 1.8637256239657856
Energy: 1.7751747891664391
Energy: 2.1697569869472124
Energy: 1.7667241678734533
Energy: 1.8972672582344985
Energy: 1.9113239361504326
Energy: 1.8637256239657856
Energy: 1.7751747891664391
Energy: 2.1697569869472124
Energy: 1.7667241678734533
Energy: 2.0887320781682015
Energy: 1.7495589532658082
Energy: 1.7647649766777067
Energy: 1.6819140328045101
Energy: 1.7777280344407693
Energy: 1.7832146153370512
Energy: 2.0887320781682015
Energy: 1.7495589532658082
Energy: 1.7647649766777067
Energy: 1.6819140328045101
Energy: 1.7655734129740406
Energy: 1.8550937029391767
Energy: 1.7692097058296723
Energy: 1.7597035239760468
Energy: 1.7971769052822604
Energy: 1.7986495710612016
Energy: 1.7655734129740406
Energy: 1.8550937029358217
Energy: 1.7692097058296723
Energy: 1.7597035239760468
Energy: 1.7168833745486052
Energy: 1.8576316550161152
Energy: 1.7878239052324258
Energy: 1.7583296595405824
Energy: 1.7260688524248
Energy: 1.8691826554930246
Energy: 1.7168833745420142
Energy: 1.8576316550161152
Energy: 1.7878239052324258
Energy: 1.7583296595438178
Energy: 1.9973437776415797
Energy: 1.681870383470101
Energy: 1.8561822644956993
Energy: 1.669262676022147
Energy: 1.7799416744606515
Energy: 1.7509047371635948
Energy: 2.012909346572504
Energy: 1.6818703834668653
Energy: 1.856182264498935
Energy: 1.6692626760253824
Energy: 1.894310370376937
Energy: 1.902953718316161
Energy: 1.7307233806044862
Energy: 1.7883606754109587
Energy: 1.8170582420684553
Energy: 1.7491654689635037
Energy: 1.8943103703735817
Energy: 1.902953718316161
Energy: 1.7307233806044862
Energy: 1.7883606754109587
Energy: 1.727694701321405
Energy: 1.8270188506443437
Energy: 1.9632408975616094
Energy: 1.7573814511596901
Energy: 1.7771680477935055
Energy: 1.888852139304878
Energy: 1.727694701321405
Energy: 1.8270188506409881
Energy: 1.9632408975616094
Energy: 1.757381451156335
Energy: 1.899986380651645
Energy: 1.806473318599615
Energy: 1.8385945186517172
Energy: 1.9833688745774238
Energy: 1.7599432223631597
Energy: 1.7347944252690815
Energy: 1.899986380651645
Energy: 1.806473318599615
Energy: 1.8385945186517172
Energy: 1.983368874584015
Energy: 1.7732654718026786
Energy: 1.9283640047261152
Energy: 1.7549903091619263
Energy: 1.727154209779986
Energy: 1.7293222057285347
Energy: 1.7850799932860661
Energy: 1.7732654718026786
Energy: 1.9283640047293509
Energy: 1.7549903091619263
Energy: 1.727154209779986
Energy: 1.7642694819902078
Energy: 1.7588959287866452
Energy: 1.9293027082237508
Energy: 1.7715420367385908
Energy: 1.7876163379782661
Energy: 1.7542807452794478
Energy: 1.7642694819902078
Energy: 1.7588959287900006
Energy: 1.9293027082203955
Energy: 1.7715420367385908
Energy: 1.8483325844889322
Energy: 1.7043655311364594
Energy: 2.0124519908328957
Energy: 1.8034439249423173
Energy: 1.825913379644243
Energy: 1.7285544099533305
Energy: 1.8483325844889322
Energy: 1.704365531133104
Energy: 2.0124519908328957
Energy: 1.8034439249389618
Energy: 1.8083123367793725
Energy: 2.0432280131313756
Energy: 1.7003056048937522
Energy: 1.8288559048754573
Energy: 1.685984061631534
Energy: 1.7628636628066332
Energy: 1.8083123367793725
Energy: 2.0432280131313756
Energy: 1.7003056048937522
Energy: 1.828855904878693
Energy: 1.7515161508140522
Energy: 1.9485768636631624
Energy: 1.8818633082397547
Energy: 1.7887654280035967
Energy: 1.7601855602639283
Energy: 1.787062965201306
Energy: 1.7515161508140522
Energy: 1.948576863656572
Energy: 1.8818633082397547
Energy: 1.7887654280035967
Energy: 1.8033317907080633
Energy: 1.762978163241058
Energy: 1.9197887162108025
Energy: 1.8759492115629033
Energy: 1.7444176181574316
Energy: 1.7351538663739645
Energy: 1.8033317907080633
Energy: 1.7629781632378227
Energy: 1.9197887162108025
Energy: 1.8759492115629033
Energy: 1.8155646440093893
Energy: 1.8645393688610254
Energy: 1.8012868641684554
Energy: 1.877749700116081
Energy: 1.8277280076866884
Energy: 1.7609410352523442
Energy: 1.8155646440193354
Energy: 1.8645393688610254
Energy: 1.8012868641684554
Energy: 1.877749700116081
Energy: 1.7749267416375558
Energy: 1.7564559041180174
Energy: 1.842738792151349
Energy: 1.7357780783115266
Energy: 1.8916590021910773
Energy: 1.725044554201076
Energy: 1.7749267416375558
Energy: 1.7564559041180174
Energy: 1.842738792144758
Energy: 1.7357780783148822
Energy: 1.7656137798142715
Energy: 1.8194440399119918
Energy: 1.8925237943412234
Energy: 2.0019763207510892
Energy: 1.758460961711373
Energy: 1.7894745386909585
Energy: 1.7656137798142715
Energy: 1.8194440399119918
Energy: 1.8925237943445787
Energy: 2.0019763207510892
Energy: 1.6688195046578507
Energy: 1.7449010405287266
Energy: 1.7539086683340397
Energy: 2.025151503735939
Energy: 1.8363970279511412
Energy: 1.8270949711329718
Energy: 1.6688195046578507
Energy: 1.7449010405287266
Energy: 1.753908668330804
Energy: 2.0251515037392944
Energy: 1.7610957924436965
Energy: 1.8037992943400911
Energy: 1.9002129376614096
Energy: 1.7180926843697477
Energy: 1.933360374888632
Energy: 1.6837984081026027
Energy: 1.7610957924404609
Energy: 1.8037992943433268
Energy: 1.9002129376680004
Energy: 1.7180926843697477

minimum gb energy = 1.6688195046578507 eV
minimum distance =  2.26436670774328 Angstroms
sigma value = 437


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

Energy: 1.8882274009141542
Energy: 1.9586041543197903
Energy: 1.799017616418517
Energy: 2.0974581708357687
Energy: 1.7585558682243274
Energy: 1.9457552610137463
Energy: 1.8882274009141542
Energy: 1.958604154308985
Energy: 1.7990176164137144
Energy: 2.0974581708297655
Energy: 1.7548459397847067
Energy: 1.9482349110459778
Energy: 1.798463614966931
Energy: 1.7455486443198664
Energy: 1.8351858983832774
Energy: 1.8038212757425611
Energy: 1.7548459397859073
Energy: 1.9482349110399748
Energy: 1.798463614966931
Energy: 1.7455486443270702
Energy: 1.6741350745027541
Energy: 1.8437851777230974
Energy: 1.8828251838955539
Energy: 1.7594497077445133
Energy: 1.7706261882940852
Energy: 1.8418873652181333
Energy: 1.6741350745147603
Energy: 1.8437851777230974
Energy: 1.8828251839195658
Energy: 1.7594497077301061
Energy: 2.0692704314871566
Energy: 1.7730125702858575
Energy: 1.7406870323102621
Energy: 1.7192690645195066
Energy: 1.7293887149155296
Energy: 1.8081862804370874
Energy: 2.069270431481154
Energy: 1.773012570284657
Energy: 1.7406870323234687
Energy: 1.7192690645111022
Energy: 1.688147955919631
Energy: 1.7194922253499543
Energy: 1.7464087723014112
Energy: 2.080457858548875
Energy: 1.704267643293742
Energy: 1.9307948898348606
Energy: 1.6881479559303276
Energy: 1.7194922253559575
Energy: 1.746408772317019
Energy: 2.0804578585584803
Energy: 1.6883099817868459
Energy: 1.8777317732135204
Energy: 1.7792842504095132
Energy: 1.6810772543519146
Energy: 1.732983840729118
Energy: 1.9476497447443046
Energy: 1.6883099817988518
Energy: 1.8777317731967123
Energy: 1.779284250404711
Energy: 1.6810772543459118
Energy: 1.9756240206067954
Energy: 1.8045661286867687
Energy: 1.8201413632009684
Energy: 1.7196742789783839
Energy: 1.7217690503636383
Energy: 1.8445590315553981
Energy: 1.9756240206127984
Energy: 1.8045661286879693
Energy: 1.8201413632165762
Energy: 1.7196742789843866
Energy: 1.7557224636415176
Energy: 1.844641755422554
Energy: 1.7384057467814897
Energy: 1.7508749051366106
Energy: 1.92704925908157
Energy: 1.7764148613768869
Energy: 1.7557224636415176
Energy: 1.8446417554237544
Energy: 1.7384057467766874
Energy: 1.7508749051306076
Energy: 1.8194782203531485
Energy: 1.7851711440008338
Energy: 2.0200864578425706
Energy: 1.6936332238536502
Energy: 1.7807050877285189
Energy: 1.8943407211703889
Energy: 1.8194782203615525
Energy: 1.785171143988828
Energy: 2.0200864578425706
Energy: 1.693633223865656
Energy: 1.7955756484683647
Energy: 1.722219411541225
Energy: 1.7681859893981102
Energy: 1.7174094363641228
Energy: 1.7757245400265096
Energy: 1.938176279076239
Energy: 1.7955756486759586
Energy: 1.7222194115424256
Energy: 1.7681859893921072
Energy: 1.7174094363593204
Energy: 2.0570931553578062
Energy: 1.8180538180531571
Energy: 1.7526155530795227
Energy: 1.741533751091028
Energy: 1.8207256891727097
Energy: 1.7654029868837526
Energy: 2.057093155359007
Energy: 1.8180538180531571
Energy: 1.7526155530831242
Energy: 1.741533751100633
Energy: 1.6262129213165162
Energy: 1.843279761704191
Energy: 1.9637555066386254
Energy: 1.7258303362498386
Energy: 1.9708948023653305
Energy: 1.8443412600336
Energy: 1.6262129213153151
Energy: 1.843279761704191
Energy: 1.9637555066362242
Energy: 1.725830336242635
Energy: 1.7449728674827563
Energy: 1.808256917429715
Energy: 1.8804712051735157
Energy: 1.7400302131611771
Energy: 1.7283002195552961
Energy: 1.8001575893227146
Energy: 1.7449728674959628
Energy: 1.8082569174069034
Energy: 1.880471205175917
Energy: 1.7400302131647787
Energy: 1.9025020179470835
Energy: 1.8851300859281783
Energy: 1.7613744495615535
Energy: 2.0052794125742257
Energy: 1.7791351860426587
Energy: 1.854001359825115
Energy: 1.9025020179410808
Energy: 1.885130085921084
Energy: 1.7613744495675565
Energy: 2.005279412573025

minimum gb energy = 1.6262129213153151 eV
minimum distance =  2.25475811819387 Angstroms
sigma value = 33