Model name: model_name=EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005
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=4.045270472764969
cohesive_energy=3.4109252230537166
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: 0.01190700477645017
Energy: 0.1779343317354232
Energy: 0.17793433173426884
Energy: 0.011907004777604533
Energy: 0.17793433173426884
Energy: 0.1779343317354232
Energy: 0.011907004777604533
Energy: 0.1779343317354232
Energy: 0.17793433173426884
Energy: 0.01190700477645017
Energy: 0.17664946263082795
Energy: 0.012327872367657684
Energy: 0.178358150468072
Energy: 0.17664946263082795
Energy: 0.012327872365348956
Energy: 0.178358150468072
Energy: 0.17664946263082795
Energy: 0.012327872365348956
Energy: 0.178358150468072
Energy: 0.17664946263082795
Energy: 0.721727058029743
Energy: 0.012979390455153323
Energy: 0.012979390456307686
Energy: 0.721727058029743
Energy: 0.012979390455153323
Energy: 0.012979390455153323
Energy: 0.721727058029743
Energy: 0.012979390455153323
Energy: 0.01297939045399896
Energy: 0.7217270580285887
Energy: 0.17664946263082795
Energy: 0.1783581504669176
Energy: 0.012327872367657684
Energy: 0.17664946263082795
Energy: 0.1783581504669176
Energy: 0.012327872366503321
Energy: 0.17664946263082795
Energy: 0.1783581504669176
Energy: 0.012327872364194593
Energy: 0.17664946263082795
Energy: 0.01190700477645017
Energy: 0.1779343317354232
Energy: 0.1779343317354232
Energy: 0.011907004777604533
Energy: 0.1779343317354232
Energy: 0.17793433173657758
Energy: 0.01190700477645017
Energy: 0.17793433173657758
Energy: 0.1779343317354232
Energy: 0.011907004777604533
Energy: 0.17664946263082795
Energy: 0.012327872364194593
Energy: 0.1783581504669176
Energy: 0.17664946263082795
Energy: 0.012327872365348956
Energy: 0.1783581504669176
Energy: 0.17664946263082795
Energy: 0.012327872365348956
Energy: 0.1783581504669176
Energy: 0.17664946263082795
Energy: 0.721727058029743
Energy: 0.012979390456307686
Energy: 0.012979390456307686
Energy: 0.721727058029743
Energy: 0.01297939045399896
Energy: 0.012979390455153323
Energy: 0.721727058029743
Energy: 0.01297939045399896
Energy: 0.012979390455153323
Energy: 0.7217270580285887

minimum gb energy = 0.01190700477645017 eV
minimum distance =  2.55879096313612 Angstroms
sigma value = 3


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

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Energy: 0.6204999977441821
Energy: 0.6206337301878867
Energy: 0.4927196574087871
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Energy: 0.4927196574085044
Energy: 0.5418241352101681
Energy: 0.49948779871251336
Energy: 0.6106904743787687
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Energy: 0.49936627432543657
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Energy: 0.5189643344381305
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Energy: 0.49266125708233316
Energy: 0.6204999977382442
Energy: 0.6206337301935418
Energy: 0.46858162272620274
Energy: 0.6204999977308924
Energy: 0.62063373019439
Energy: 0.4926612570809194
Energy: 0.6204999977337199
Energy: 0.6206337301929763
Energy: 0.4685816227253545
Energy: 0.5418241352070577
Energy: 0.49948779871477544
Energy: 0.6106904743694376
Energy: 0.5418241352217613
Energy: 0.499487798716472
Energy: 0.6106904743581529
Energy: 0.541824135219782
Energy: 0.49948779871307886
Energy: 0.6106904743606977
Energy: 0.5418241352183683
Energy: 0.58442537092389
Energy: 0.6255901265092263
Energy: 0.6305072456446111
Energy: 0.5878460041697772
Energy: 0.6255901265015918
Energy: 0.6305072456533767
Energy: 0.5844253709250211
Energy: 0.6255901265035712
Energy: 0.6305072456584405
Energy: 0.5878460041683634
Energy: 0.6190519870961029
Energy: 0.6385817245636026
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Energy: 0.6385817245593611
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Energy: 0.6190519870918615
Energy: 0.638581724561906
Energy: 0.4687324346011857
Energy: 0.6190519870910132

minimum gb energy = 0.4532004737570792 eV
minimum distance =  2.47820448506463 Angstroms
sigma value = 75


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

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Energy: 0.4704963255692138
Energy: 0.47064591324789024
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minimum gb energy = 0.4663320873129523 eV
minimum distance =  2.47290769237585 Angstroms
sigma value = 105


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

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Energy: 0.5525697976350689
Energy: 0.5932420444999117
Energy: 0.59940574029847
Energy: 0.5767535947208736
Energy: 0.5932420445017795
Energy: 0.5994057403012719
Energy: 0.5767295024736219
Energy: 0.5932420444960345
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Energy: 0.5594678416280766
Energy: 0.5338311075717166
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Energy: 0.5594678416218505
Energy: 0.5338311075779427
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Energy: 0.5908439449473906
Energy: 0.5762050976144238
Energy: 0.583278111623874
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Energy: 0.5762050976152162
Energy: 0.5832781116257418
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Energy: 0.6023752185543425
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Energy: 0.5889351084945694
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Energy: 0.5930726930509659
Energy: 0.5529973282555293
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Energy: 0.5626586179751597
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Energy: 0.5287790602607736
Energy: 0.6201224069749007
Energy: 0.6280175096560747
Energy: 0.528701971073736
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Energy: 0.5287790602657545
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Energy: 0.6280175096683857
Energy: 0.5287019710769905
Energy: 0.624228225827501
Energy: 0.533418472323057
Energy: 0.5751376950925057
Energy: 0.6242282258262558
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Energy: 0.5334184723250663
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Energy: 0.62422822582702
Energy: 0.5695338258361657
Energy: 0.5604297875453702
Energy: 0.5621797973057164
Energy: 0.5763156702808606
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Energy: 0.5763156702768136
Energy: 0.5753834983813944
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Energy: 0.5756219348433703
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Energy: 0.5753834983675553
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Energy: 0.5800847422365468
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Energy: 0.5742310657900631
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Energy: 0.5742310657896103
Energy: 0.5830697757132546
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Energy: 0.5742310657933459
Energy: 0.5871432021860367
Energy: 0.5768057493326907
Energy: 0.585163297575229
Energy: 0.5871938061841112
Energy: 0.5768057493358038
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Energy: 0.5768057493340774
Energy: 0.5851632975777195
Energy: 0.5871938061796115
Energy: 0.5786714503649052
Energy: 0.5695090210156255
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Energy: 0.5695090210171821
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Energy: 0.5786714503678485
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Energy: 0.5649472735551581
Energy: 0.5636266750845221
Energy: 0.5825388815864704
Energy: 0.5649472735512809
Energy: 0.5636266750891917
Energy: 0.5825388815828763
Energy: 0.5649472735487905
Energy: 0.5636266750898145
Energy: 0.5825388815872347
Energy: 0.5649472735553279
Energy: 0.5506881148603106
Energy: 0.5755907909279063
Energy: 0.5762665362019402
Energy: 0.5506881148665367
Energy: 0.5755907909289817
Energy: 0.5762665362081382
Energy: 0.5506881148657726
Energy: 0.5755907909288402
Energy: 0.5762665362103172
Energy: 0.5506881148679517
Energy: 0.5613783798017385
Energy: 0.5667229754670725
Energy: 0.572544550670491
Energy: 0.5613783797997293
Energy: 0.5667225102039991
Energy: 0.5725445506659629
Energy: 0.5613783798070309
Energy: 0.5667229754653462
Energy: 0.5725445506725003
Energy: 0.5613783798067196
Energy: 0.6071272670389217
Energy: 0.5704970014104586
Energy: 0.6004882528780312
Energy: 0.607127267045629
Energy: 0.5704947320938701
Energy: 0.6004882528820782
Energy: 0.607127267045629
Energy: 0.5704970014090435
Energy: 0.6004882528851911
Energy: 0.6071272670420349
Energy: 0.5663918203370496
Energy: 0.5745608490137716
Energy: 0.5283737425659143
Energy: 0.5663918203387476
Energy: 0.57456084900647
Energy: 0.5283737425679237
Energy: 0.5663918203393702
Energy: 0.5745608490123566
Energy: 0.5283737425649805
Energy: 0.5663918203367383
Energy: 0.569421050811085
Energy: 0.5976157375115192
Energy: 0.552879029305421
Energy: 0.5694210508157547
Energy: 0.597574696242343
Energy: 0.5528790293063549
Energy: 0.5694210508121604
Energy: 0.5976157375141794
Energy: 0.5528790293065247
Energy: 0.5694210508188678
Energy: 0.5999483046665621
Energy: 0.576449859323684
Energy: 0.59244117149967
Energy: 0.5999483046665621
Energy: 0.5763082974718937
Energy: 0.5924411715004341
Energy: 0.5999483046643829
Energy: 0.5764498593249292
Energy: 0.5924411714991888
Energy: 0.5999483046629678
Energy: 0.5761541134054515
Energy: 0.5337399735041004
Energy: 0.5888142934160066
Energy: 0.5761541134106024
Energy: 0.533738583368503
Energy: 0.5888142934183273
Energy: 0.5761541134087345
Energy: 0.5337399735070437
Energy: 0.5888142934183273
Energy: 0.5761541134057628

minimum gb energy = 0.5203054482595508 eV
minimum distance =  2.44832806332807 Angstroms
sigma value = 165


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

Energy: 0.5010373594050074
Energy: 0.569192403420638
Energy: 0.5691891663177873
Energy: 0.5010373594044729
Energy: 0.5691924034195693
Energy: 0.5691891663140466
Energy: 0.5010373594044729
Energy: 0.5691924034201036
Energy: 0.5691891663199247
Energy: 0.5010373594044729
Energy: 0.5708809014743021
Energy: 0.5012347763413229
Energy: 0.5831092559747242
Energy: 0.5708809014748364
Energy: 0.5012347763418571
Energy: 0.5831092559693805
Energy: 0.5708809014721646
Energy: 0.5012347763365136
Energy: 0.5831092559725867
Energy: 0.5708809014737677
Energy: 0.5437478325773725
Energy: 0.6189994418743426
Energy: 0.48835922628969125
Energy: 0.5437478325816231
Energy: 0.6189994418770145
Energy: 0.48835922650173763
Energy: 0.5437478325795099
Energy: 0.6189994418786176
Energy: 0.4883592261876758
Energy: 0.5437478325795099
Energy: 0.6079160659889923
Energy: 0.5710838860864842
Energy: 0.5063900302874677
Energy: 0.6079160659911297
Energy: 0.5710838860864842
Energy: 0.5063900302842613
Energy: 0.6079160659889923
Energy: 0.5710838860838123
Energy: 0.5063900302890707
Energy: 0.6079160659911297
Energy: 0.5369473265068861
Energy: 0.5718033770938479
Energy: 0.5373300788511692
Energy: 0.5369473265026113
Energy: 0.5718033770933134
Energy: 0.5373300788292603
Energy: 0.5369473265111612
Energy: 0.5718033770943821
Energy: 0.53733007883781
Energy: 0.5369473265084893
Energy: 0.5098707822590701
Energy: 0.6270277538356108
Energy: 0.606197247306923
Energy: 0.5098707822574671
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Energy: 0.5098707822590701
Energy: 0.6270277538350765
Energy: 0.606197247306923
Energy: 0.5098707822580015
Energy: 0.5617900942373546
Energy: 0.5730233576276663
Energy: 0.5689292006826648
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Energy: 0.5730233576292695
Energy: 0.5689292007782679
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Energy: 0.5730233576276663
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Energy: 0.5014632533655429
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Energy: 0.5014632535348642
Energy: 0.5016092859622743
Energy: 0.5789998245514967
Energy: 0.501463253520995
Energy: 0.5016092867287505
Energy: 0.5789998245541684
Energy: 0.5618210878747423
Energy: 0.5689386336040125
Energy: 0.5730222247310559
Energy: 0.5618210878779485
Energy: 0.5689386429528797
Energy: 0.5730222247331935
Energy: 0.5618210878747423
Energy: 0.5689386321143438
Energy: 0.5730222247326591
Energy: 0.5618210878774141
Energy: 0.509820441206248
Energy: 0.6071229739284407
Energy: 0.6277155370574357
Energy: 0.509820441201973
Energy: 0.6071229739321813
Energy: 0.6277155370595486
Energy: 0.509820441206248
Energy: 0.6071229739321813
Energy: 0.6277155370574357
Energy: 0.5098204412025074
Energy: 0.5369417875447777
Energy: 0.5373381954483629
Energy: 0.5717878449566476
Energy: 0.536941787543709
Energy: 0.537338195442485
Energy: 0.5717878449539757
Energy: 0.5369417875431746
Energy: 0.5373381954456911
Energy: 0.5717878449566476
Energy: 0.5369417875415715
Energy: 0.6078837636200971
Energy: 0.5063847458615672
Energy: 0.5712299170337956
Energy: 0.6078837636200971
Energy: 0.5063847458594297
Energy: 0.5712299170359331
Energy: 0.6078837636200971
Energy: 0.5063847458594297
Energy: 0.5712299170332613
Energy: 0.6078837636200971
Energy: 0.5437503868352255
Energy: 0.48833129826220534
Energy: 0.6189992231355065
Energy: 0.5437503868411036
Energy: 0.4883312925481006
Energy: 0.6189992231280254
Energy: 0.5437503868368287
Energy: 0.48833129945972115
Energy: 0.6189992231285597
Energy: 0.5437503868437754
Energy: 0.5708859584331905
Energy: 0.5829855518944722
Energy: 0.5012462571214713
Energy: 0.5708859584326561
Energy: 0.5829855518918002
Energy: 0.5012462571273494
Energy: 0.5708859584331905
Energy: 0.5829855518901973
Energy: 0.5012462571262807
Energy: 0.5708859584321218
Energy: 0.5010373594060762
Energy: 0.5691924034190349
Energy: 0.5691891663151154
Energy: 0.5010373594055417
Energy: 0.5691924034174318
Energy: 0.5691891663124435
Energy: 0.5010373594066104
Energy: 0.5691924034185006
Energy: 0.569189166318856
Energy: 0.5010373594055417

minimum gb energy = 0.4883312925481006 eV
minimum distance =  2.61356434519656 Angstroms
sigma value = 41


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

Energy: 0.5520610957015546
Energy: 0.5154872708573107
Energy: 0.5154124948500396
Energy: 0.5261372137340053
Energy: 0.5154872708614574
Energy: 0.5154124948479664
Energy: 0.5520610956990666
Energy: 0.5154872708614574
Energy: 0.5154124948500396
Energy: 0.5261372137340053
Energy: 0.5661739506956643
Energy: 0.454114624007435
Energy: 0.5805617605169445
Energy: 0.5661739507002257
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Energy: 0.5805617605171329
Energy: 0.5661739506985671
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Energy: 0.5805617605277257
Energy: 0.5661739506966823
Energy: 0.5491024915789361
Energy: 0.4552974439469533
Energy: 0.46728932506126153
Energy: 0.5488814146879164
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Energy: 0.4672799249015078
Energy: 0.5491024915727161
Energy: 0.4552974439531732
Energy: 0.46728932506126153
Energy: 0.5488814146941363
Energy: 0.46680473841671455
Energy: 0.46700127828804017
Energy: 0.47466237898757746
Energy: 0.46680473841464126
Energy: 0.46700127828389354
Energy: 0.47457995045943924
Energy: 0.4668047384270811
Energy: 0.46700127828389354
Energy: 0.47466237898343083
Energy: 0.4668047384250077
Energy: 0.4803343098335334
Energy: 0.5487797443104003
Energy: 0.4752683289588225
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Energy: 0.5487797443083271
Energy: 0.475221971055397
Energy: 0.48033430983975334
Energy: 0.5487797443124737
Energy: 0.4752683289629691
Energy: 0.4803343098459732
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Energy: 0.5270675583945629
Energy: 0.5067484344408053
Energy: 0.4693902315720607
Energy: 0.5270675583978801
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Energy: 0.4688206581438887
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Energy: 0.5236595426637622
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Energy: 0.4627311937202264
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Energy: 0.4627311937119332
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Energy: 0.46641601425048645
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Energy: 0.4673133235733907
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Energy: 0.47520800254604234
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Energy: 0.49965547399037796
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Energy: 0.4735525819081782
Energy: 0.4735151305871407
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Energy: 0.47355258190983696
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Energy: 0.47355258189720867
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Energy: 0.5711315532580125
Energy: 0.46210531565768515
Energy: 0.495693689057686
Energy: 0.5711315532663056
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Energy: 0.49569368905727135
Energy: 0.5711315532600857
Energy: 0.46210531565975843
Energy: 0.49569368906390593
Energy: 0.555622218185152
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Energy: 0.5081718647243841
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Energy: 0.5409749009260192
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Energy: 0.5409749009301659
Energy: 0.4694449211707723
Energy: 0.5355652683475665
Energy: 0.4576536136612951
Energy: 0.5442587416991373
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Energy: 0.45765361366544166
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Energy: 0.5355652683574808
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Energy: 0.544258741703284
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Energy: 0.5147923307951636
Energy: 0.5160070964619893
Energy: 0.5395568498960387
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Energy: 0.5265403037094318
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Energy: 0.5160070964640625
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Energy: 0.514792330797237
Energy: 0.45393754328546876
Energy: 0.5322890339390427
Energy: 0.4981651467697781
Energy: 0.453937543287542
Energy: 0.5363560095817115
Energy: 0.4880161028036684
Energy: 0.4539375432916886
Energy: 0.5322890339348961
Energy: 0.49816514676770485
Energy: 0.45393754328961533
Energy: 0.4638238404831324
Energy: 0.473768474464959
Energy: 0.4735271263035938
Energy: 0.46382384048105907
Energy: 0.4737797953890802
Energy: 0.47347093775206767
Energy: 0.46382384047691255
Energy: 0.4737684744583621
Energy: 0.4735271263112839
Energy: 0.4638238404831324
Energy: 0.46055757880905723
Energy: 0.47519869441901397
Energy: 0.46682307535238504
Energy: 0.46055757880905723
Energy: 0.4751927173311911
Energy: 0.4668230753565316
Energy: 0.46055757881113046
Energy: 0.47519869442108725
Energy: 0.46682307535238504
Energy: 0.46055757881320375
Energy: 0.5495750290938336
Energy: 0.47461000997827985
Energy: 0.49517903667221513
Energy: 0.5495750290938336
Energy: 0.47471946157832007
Energy: 0.49517903667014185
Energy: 0.5495750290979803
Energy: 0.47461000997827985
Energy: 0.49517903665977536
Energy: 0.5495750290938336
Energy: 0.5503530503015757
Energy: 0.5046701596927421
Energy: 0.46772087042678073
Energy: 0.528138611137018
Energy: 0.5046701596999797
Energy: 0.4677208704288541
Energy: 0.5281386111436523
Energy: 0.5066309654667316
Energy: 0.4677208704226341
Energy: 0.5281386111430117

minimum gb energy = 0.45393754328546876 eV
minimum distance =  2.43235047227705 Angstroms
sigma value = 185


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

Energy: 0.33613916877105987
Energy: 0.25890819467087306
Energy: 0.25903036430305093
Energy: 0.20821406310199853
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Energy: 0.22618439535114626
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Energy: 0.2695860030334933
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Energy: 0.3397437055905079
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Energy: 0.26287610068131767
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Energy: 0.22612158721251072
Energy: 0.2590658818065081
Energy: 0.3607523818543264
Energy: 0.2628761006832865
Energy: 0.2590658818023465
Energy: 0.3607523818521114
Energy: 0.2607382003023726
Energy: 0.3010533879910574
Energy: 0.2598571326762183
Energy: 0.2607382003028648
Energy: 0.3010533879920419
Energy: 0.2598571326762183
Energy: 0.26073820030114203
Energy: 0.3010533879913035
Energy: 0.2598571326744955
Energy: 0.26073820029868094
Energy: 0.22625220593814857
Energy: 0.2264922368927426
Energy: 0.27165465020581275
Energy: 0.2439446084303926
Energy: 0.24429715286732837
Energy: 0.2716546502136883
Energy: 0.22625220593273412
Energy: 0.22649223689987985
Energy: 0.27165465021442664
Energy: 0.24394460843605317
Energy: 0.3079184568943888
Energy: 0.33981558424815744
Energy: 0.2695860030325088
Energy: 0.3079184568983266
Energy: 0.3398155842545563
Energy: 0.26958600303300106
Energy: 0.3079184568951271
Energy: 0.3398155842540641
Energy: 0.2695860030320166
Energy: 0.3079184568899588

minimum gb energy = 0.20821406310150628 eV
minimum distance =  2.65760055542743 Angstroms
sigma value = 33


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

Energy: 0.4381448530531924
Energy: 0.48200211568671913
Energy: 0.4820634513062967
Energy: 0.4381448530545435
Energy: 0.4820021156880702
Energy: 0.4820634513062967
Energy: 0.4381448530531924
Energy: 0.4820021156880702
Energy: 0.4820634513062967
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Energy: 0.49662674943005386
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Energy: 0.48931934924572607
Energy: 0.4262354104117418
Energy: 0.5264356460729803
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Energy: 0.42822352844971523
Energy: 0.4394811159346148
Energy: 0.42636440255855823
Energy: 0.4966461718596435
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Energy: 0.4890289689924495
Energy: 0.43888638303915
Energy: 0.4829200858845539
Energy: 0.4890289689924495
Energy: 0.43888638303915
Energy: 0.48292008588725605
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Energy: 0.41940026073110687

minimum gb energy = 0.41629690852280904 eV
minimum distance =  2.47599051243521 Angstroms
sigma value = 219


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

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Energy: 0.5667801642286193
Energy: 0.5353417742144941
Energy: 0.5359992268521635
Energy: 0.5667801642295135
Energy: 0.5353417742144941

minimum gb energy = 0.49913986393907395 eV
minimum distance =  2.63670047792968 Angstroms
sigma value = 15


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

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minimum gb energy = 0.5647899937814395 eV
minimum distance =  2.42752834501945 Angstroms
sigma value = 293


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

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Energy: 0.5672023382194509
Energy: 0.5705127617355319
Energy: 0.5928605213969478
Energy: 0.5672023382150073
Energy: 0.5705127617395712
Energy: 0.5928605213999774
Energy: 0.5672023382154112
Energy: 0.6096149124160731
Energy: 0.6014675565810402
Energy: 0.6136725999894314
Energy: 0.6096149124102159
Energy: 0.6014675565844737
Energy: 0.6136725999880176
Energy: 0.6096149124114277
Energy: 0.6014675565796265
Energy: 0.6136725999888254
Energy: 0.6096149124130436
Energy: 0.6387019439251983
Energy: 0.5842095647889055
Energy: 0.5679248213927294
Energy: 0.6387019439286318
Energy: 0.5842095647810287
Energy: 0.5678347315159626
Energy: 0.6387019439320654
Energy: 0.5842095647923391
Energy: 0.5679248213937391
Energy: 0.6387019439239865
Energy: 0.6060479313962478
Energy: 0.6080293627540656
Energy: 0.5630000631914585
Energy: 0.6060479313920064
Energy: 0.6080293627498242
Energy: 0.5630000631940841
Energy: 0.6060479314008932
Energy: 0.6080293627467946
Energy: 0.5630000632001434
Energy: 0.6060479313994793
Energy: 0.568836338334035
Energy: 0.5680040815446366
Energy: 0.5644602384684491
Energy: 0.5688363383306014
Energy: 0.5680040815523114
Energy: 0.564460238467843
Energy: 0.5688363383328231
Energy: 0.5680040815531193
Energy: 0.5644602384674391
Energy: 0.5688363383297936
Energy: 0.6010580777798847
Energy: 0.6122040503680352
Energy: 0.5688190647942647
Energy: 0.5962085679095669
Energy: 0.6122040503744799
Energy: 0.5688190647954765
Energy: 0.6010580777629376
Energy: 0.6122040503714502
Energy: 0.5688190647979003
Energy: 0.5962085679051236
Energy: 0.5762681930767982
Energy: 0.619205766190685
Energy: 0.6341676978364014
Energy: 0.57251836316214
Energy: 0.619205766183616
Energy: 0.6341676978368054
Energy: 0.5762681930860889
Energy: 0.6192057661955322
Energy: 0.6341676978293322
Energy: 0.5725183631623418
Energy: 0.5974020786859561
Energy: 0.5688123970246878
Energy: 0.5995866080712172
Energy: 0.597402078687168
Energy: 0.5688123970188306
Energy: 0.5995866080726311
Energy: 0.5974020786853501
Energy: 0.5688123970226681
Energy: 0.5995866080659661
Energy: 0.597402078674058
Energy: 0.5709524836013143
Energy: 0.5647726991069183
Energy: 0.5704442386269333
Energy: 0.5709524835938414
Energy: 0.564856251796205
Energy: 0.5704442386335983
Energy: 0.5709524835946493
Energy: 0.5647726991075241
Energy: 0.5704442386313767
Energy: 0.5709524835994967
Energy: 0.6042575452741562
Energy: 0.5631090238027913
Energy: 0.596548428060743
Energy: 0.6042575452660773
Energy: 0.5630822997417788
Energy: 0.5965484280613489
Energy: 0.6042575452739544
Energy: 0.5631090237953367
Energy: 0.5965484280585213
Energy: 0.6042575452755701
Energy: 0.6348917151685415
Energy: 0.5697159650763568
Energy: 0.5927784888948594
Energy: 0.6348917151705611
Energy: 0.569715965074135
Energy: 0.5927784888936477
Energy: 0.634891715172379
Energy: 0.5697159650819936
Energy: 0.5927784888837693
Energy: 0.6348917151681376
Energy: 0.6095912939208146
Energy: 0.6071138531992344
Energy: 0.6038865784055433
Energy: 0.609591293918189
Energy: 0.6071138532012542
Energy: 0.6038909047973713
Energy: 0.6095912939222284
Energy: 0.607113853201456
Energy: 0.6038865784138241
Energy: 0.6095912939167751
Energy: 0.5696011525215208
Energy: 0.5660918716469124
Energy: 0.5695909143965456
Energy: 0.5696011525247525
Energy: 0.5660918716418631
Energy: 0.5695909144009891
Energy: 0.5696011525221268
Energy: 0.566091871649336
Energy: 0.5695909143961417
Energy: 0.569601152527378
Energy: 0.6189340302574003
Energy: 0.5782767546494191
Energy: 0.5782365165014082
Energy: 0.6189340302543709
Energy: 0.5782767546461876
Energy: 0.5782365164973688
Energy: 0.6189340302594202
Energy: 0.5782767546546703
Energy: 0.5782365164983786
Energy: 0.6189340302553807
Energy: 0.5672023382232882
Energy: 0.57051276173432
Energy: 0.5928605213985636
Energy: 0.5672023382172291
Energy: 0.5705127617335121
Energy: 0.592860521395332
Energy: 0.5672023382139976
Energy: 0.5705127617393693
Energy: 0.5928605213991694
Energy: 0.5672023382137955
Energy: 0.6096149124140534
Energy: 0.6014675565840698
Energy: 0.6136725999884215
Energy: 0.6096149124098119
Energy: 0.6014675565856855
Energy: 0.6136725999886234
Energy: 0.6096149124106198
Energy: 0.6014675565820502
Energy: 0.6136725999886234
Energy: 0.6096149124118316
Energy: 0.6387019439251983
Energy: 0.5842095647891076
Energy: 0.5676573758248212
Energy: 0.638701943927218
Energy: 0.584209564777999
Energy: 0.5676804124158987
Energy: 0.6387019439310555
Energy: 0.5842095647913291
Energy: 0.5676573758177522
Energy: 0.6387019439266122
Energy: 0.6060479313942281
Energy: 0.6080293627532577
Energy: 0.5630000631924684
Energy: 0.6060479313891789
Energy: 0.6080293627508342
Energy: 0.5630000631952959
Energy: 0.606047931402307
Energy: 0.6080293627480066
Energy: 0.5630000631985276
Energy: 0.6060479314006911

minimum gb energy = 0.5630000631914585 eV
minimum distance =  2.4906947369177 Angstroms
sigma value = 293


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

Energy: 0.5574108245717213
Energy: 0.5577503179923988
Energy: 0.55778253856409
Energy: 0.5574108245724514
Energy: 0.5577503179909385
Energy: 0.5577825385662801
Energy: 0.5574108245717213
Energy: 0.5577503179920337
Energy: 0.557782538564455
Energy: 0.5574108245720863
Energy: 0.557496152146801
Energy: 0.5577386858655998
Energy: 0.5577902923807044
Energy: 0.5574961521478963
Energy: 0.5577386858637746
Energy: 0.5577902923825296
Energy: 0.5574961521471662
Energy: 0.5577386858652348
Energy: 0.5577902923810695
Energy: 0.5574961521478963
Energy: 0.5574223784317817
Energy: 0.5578830343020261
Energy: 0.5995778018546759
Energy: 0.5574223784295914
Energy: 0.5578830343016612
Energy: 0.5995778018565012
Energy: 0.5574223784317817
Energy: 0.5578830343016612
Energy: 0.5995778018546759
Energy: 0.5574223784295914
Energy: 0.5995588751760778
Energy: 0.5579305730956334
Energy: 0.5574189192700766
Energy: 0.5995588751782681
Energy: 0.5579305730981887
Energy: 0.5574189192646174
Energy: 0.5995588751753477
Energy: 0.5579305730959985
Energy: 0.5574189192671563
Energy: 0.5995588751782681
Energy: 0.5577652720725648
Energy: 0.5577041444020274
Energy: 0.5574457756804698
Energy: 0.5577652720707397
Energy: 0.5577041443998372
Energy: 0.5574457756819299
Energy: 0.5577652720718347
Energy: 0.5577041444020274
Energy: 0.5574457756808348
Energy: 0.5577652720703745
Energy: 0.5577503179891135
Energy: 0.5577825385666453
Energy: 0.5574108245717213
Energy: 0.5577503179920337
Energy: 0.55778253856409
Energy: 0.5574108245724514
Energy: 0.5577503179902085
Energy: 0.5577825385666453
Energy: 0.5574108245717213
Energy: 0.5577503179916686
Energy: 0.5577386858637746
Energy: 0.5577902923821646
Energy: 0.557496152146801
Energy: 0.5577386858648697
Energy: 0.5577902923807044
Energy: 0.5574961521464361
Energy: 0.5577386858634096
Energy: 0.5577902923821646
Energy: 0.5574961521475311
Energy: 0.5577386858648697
Energy: 0.557883034301296
Energy: 0.5995778018568662
Energy: 0.5574223784303215
Energy: 0.5578830343016612
Energy: 0.599577801854311
Energy: 0.5574223784295914
Energy: 0.557883034300566
Energy: 0.5995778018568662
Energy: 0.5574223784325117
Energy: 0.557883034301296
Energy: 0.5579305730981887
Energy: 0.5574189192631572
Energy: 0.5995588751760778
Energy: 0.5579305730959985
Energy: 0.5574189192664262
Energy: 0.5995588751775379
Energy: 0.5579305730985538
Energy: 0.5574189192635223
Energy: 0.5995588751753477
Energy: 0.5579305730956334
Energy: 0.5577041444002022
Energy: 0.5574457756841201
Energy: 0.5577652720725648
Energy: 0.5577041444023925
Energy: 0.5574457756819299
Energy: 0.5577652720707397
Energy: 0.5577041444002022
Energy: 0.5574457756811999
Energy: 0.5577652720721997
Energy: 0.5577041444020274
Energy: 0.55778253856482
Energy: 0.5574108245724514
Energy: 0.5577503179913036
Energy: 0.5577825385673754
Energy: 0.5574108245717213
Energy: 0.5577503179927638
Energy: 0.55778253856409
Energy: 0.5574108245724514
Energy: 0.5577503179909385
Energy: 0.5577825385662801
Energy: 0.5577902923803394
Energy: 0.5574961521478963
Energy: 0.5577386858634096
Energy: 0.5577902923817996
Energy: 0.5574961521464361
Energy: 0.5577386858648697
Energy: 0.5577902923807044
Energy: 0.5574961521464361
Energy: 0.5577386858634096
Energy: 0.5577902923814345
Energy: 0.5995778018550411
Energy: 0.5574223784299566
Energy: 0.557883034300201
Energy: 0.5995778018568662
Energy: 0.5574223784317817
Energy: 0.5578830343023913
Energy: 0.599577801854311
Energy: 0.5574223784299566
Energy: 0.5578830343016612
Energy: 0.5995778018565012
Energy: 0.5574189192682513
Energy: 0.5995588751775379
Energy: 0.5579305730985538
Energy: 0.5574189192646174
Energy: 0.5995588751764429
Energy: 0.5579305730959985
Energy: 0.5574189192704415
Energy: 0.5995588751779031
Energy: 0.5579305730985538
Energy: 0.5574189192631572
Energy: 0.5574457756815648
Energy: 0.5577652720703745
Energy: 0.5577041444002022
Energy: 0.55744577568339
Energy: 0.5577652720725648
Energy: 0.5577041444020274
Energy: 0.5574457756797397
Energy: 0.5577652720707397
Energy: 0.5577041444002022
Energy: 0.5574457756822949
Energy: 0.5574108245717213
Energy: 0.5577503179927638
Energy: 0.5577825385633599
Energy: 0.5574108245724514
Energy: 0.5577503179891135
Energy: 0.5577825385666453
Energy: 0.5574108245717213
Energy: 0.5577503179909385
Energy: 0.55778253856482
Energy: 0.5574108245720863
Energy: 0.557496152146071
Energy: 0.5577386858655998
Energy: 0.5577902923807044
Energy: 0.5574961521486264
Energy: 0.5577386858641397
Energy: 0.5577902923817996
Energy: 0.5574961521475311
Energy: 0.5577386858648697
Energy: 0.5577902923807044
Energy: 0.5574961521478963
Energy: 0.5574223784317817
Energy: 0.5578830343020261
Energy: 0.5995778018550411
Energy: 0.5574223784295914
Energy: 0.557883034301296
Energy: 0.5995778018557711
Energy: 0.5574223784317817
Energy: 0.5578830343023913
Energy: 0.599577801854311
Energy: 0.5574223784295914
Energy: 0.5995588751757128
Energy: 0.5579305730963635
Energy: 0.5574189192664262
Energy: 0.5995588751779031
Energy: 0.5579305730989188
Energy: 0.5574189192635223
Energy: 0.5995588751757128
Energy: 0.5579305730963635
Energy: 0.5574189192664262
Energy: 0.5995588751779031
Energy: 0.5577652720721997
Energy: 0.5577041444020274
Energy: 0.5574457756811999
Energy: 0.5577652720707397
Energy: 0.5577041444002022
Energy: 0.5574457756844852
Energy: 0.5577652720725648
Energy: 0.5577041444020274
Energy: 0.5574457756822949
Energy: 0.5577652720703745
Energy: 0.5577503179902085
Energy: 0.5577825385677404
Energy: 0.5574108245717213
Energy: 0.5577503179916686
Energy: 0.5577825385633599
Energy: 0.5574108245724514
Energy: 0.5577503179902085
Energy: 0.5577825385666453
Energy: 0.5574108245720863
Energy: 0.5577503179916686
Energy: 0.5577386858634096
Energy: 0.5577902923821646
Energy: 0.5574961521471662
Energy: 0.5577386858652348
Energy: 0.5577902923803394
Energy: 0.5574961521471662
Energy: 0.5577386858637746
Energy: 0.5577902923821646
Energy: 0.5574961521478963
Energy: 0.5577386858648697

minimum gb energy = 0.5574108245717213 eV
minimum distance =  2.61687816407488 Angstroms
sigma value = 15


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

Energy: 0.5742499604502324
Energy: 0.5628750944739851
Energy: 0.5617244473531885
Energy: 0.5663797153437777
Energy: 0.5628750944806042
Energy: 0.5617244473564978
Energy: 0.5742499604535418
Energy: 0.5628750944838835
Energy: 0.5617244473631168
Energy: 0.5663797153437777
Energy: 0.5712874132856459
Energy: 0.5807103277198326
Energy: 0.6053250481569795
Energy: 0.5712874132823363
Energy: 0.5807103277132136
Energy: 0.6053250481470512
Energy: 0.5712874132889253
Energy: 0.5807103277115588
Energy: 0.6053250481520154
Energy: 0.5712874132872704
Energy: 0.5786036787757166
Energy: 0.5690263206734868
Energy: 0.6792464062672136
Energy: 0.5786036787839903
Energy: 0.569026320678451
Energy: 0.6792464062672136
Energy: 0.5786036787823355
Energy: 0.5690263206817605
Energy: 0.6792464062672136
Energy: 0.5786036787856451
Energy: 0.5580044061648033
Energy: 0.569439807440636
Energy: 0.5551541350164783
Energy: 0.5580044061697674
Energy: 0.5694398074340171
Energy: 0.5551541350230971
Energy: 0.5580044061681129
Energy: 0.569439807440636
Energy: 0.5551541350131688
Energy: 0.5580044061648033
Energy: 0.6222546130719586
Energy: 0.572994487414294
Energy: 0.6096707260034934
Energy: 0.6222546130703038
Energy: 0.5729944874060204
Energy: 0.609670726005148
Energy: 0.6222546130752681
Energy: 0.5729944873911279
Energy: 0.6096707260216954
Energy: 0.6222546130885058
Energy: 0.5793567049639969
Energy: 0.6167282852439039
Energy: 0.5453801690546133
Energy: 0.5793567049722705
Energy: 0.6167282852455588
Energy: 0.5453801690546133
Energy: 0.5793567049706159
Energy: 0.6167282852306661
Energy: 0.5453801690562681
Energy: 0.5793567049606876
Energy: 0.5740843567717648
Energy: 0.6261462403687416
Energy: 0.5772487835424385
Energy: 0.574106033449793
Energy: 0.6261462403786698
Energy: 0.5772487835407837
Energy: 0.5740843567717648
Energy: 0.6261462403852888
Energy: 0.5772487835440931
Energy: 0.574106033456412
Energy: 0.5709219865268178
Energy: 0.6126837588913044
Energy: 0.6080813526832113
Energy: 0.5709219865185442
Energy: 0.6126837588979235
Energy: 0.6080813526799018
Energy: 0.5709219865201989
Energy: 0.6126837588879951
Energy: 0.6080813526881754
Energy: 0.5709219865168895
Energy: 0.6563235751064911
Energy: 0.5710531604843053
Energy: 0.5759050533956626
Energy: 0.6563235750320584
Energy: 0.5710531604793413
Energy: 0.5759050534039363
Energy: 0.656323575094908
Energy: 0.571053160480996
Energy: 0.575905053394008
Energy: 0.656323574944418
Energy: 0.5699054990424561
Energy: 0.632332015335993
Energy: 0.6436046796945747
Energy: 0.5699056584743415
Energy: 0.6323320153260646
Energy: 0.6436046796896104
Energy: 0.5699054990358371
Energy: 0.6323320153227553
Energy: 0.6436046796896104
Energy: 0.5699056584792757
Energy: 0.5736701864840621
Energy: 0.5504549522509203
Energy: 0.594712107411079
Energy: 0.5736701864807526
Energy: 0.5504549522426767
Energy: 0.5947121074061149
Energy: 0.5736701864807526
Energy: 0.5504549522558845
Energy: 0.5947121074044601
Energy: 0.5736701864807526
Energy: 0.5929330887954433
Energy: 0.5439116583545036
Energy: 0.6367116404898409
Energy: 0.5929330887954433
Energy: 0.5439091040738641
Energy: 0.6367116404931502
Energy: 0.5929330888004074
Energy: 0.5439116583545036
Energy: 0.6367116404964598
Energy: 0.5929330887987527
Energy: 0.64966790680989
Energy: 0.5525844708070623
Energy: 0.6244391761229195
Energy: 0.6496679068115446
Energy: 0.5525844708004433
Energy: 0.6244391761212649
Energy: 0.6496679068148541
Energy: 0.5525844708120264
Energy: 0.6244391761229195
Energy: 0.6496679068065804
Energy: 0.5512856811562283
Energy: 0.54466191585738
Energy: 0.7106420937382576
Energy: 0.5512856811628473
Energy: 0.5446619158606893
Energy: 0.7106420937299839
Energy: 0.551285681157883
Energy: 0.5446619158673084
Energy: 0.7106420937283291
Energy: 0.5512856811545735
Energy: 0.5979819448266116
Energy: 0.6439360735558515
Energy: 0.550562690343072
Energy: 0.5979819448233022
Energy: 0.643936073552542
Energy: 0.550562888754636
Energy: 0.5979819448233022
Energy: 0.6439360735608157
Energy: 0.5505626903463815
Energy: 0.5979819448299211
Energy: 0.5582785544079977
Energy: 0.648017659455689
Energy: 0.6200289702769665
Energy: 0.558278554406343
Energy: 0.6480176594573438
Energy: 0.6200289702753118
Energy: 0.5582785544030335
Energy: 0.6480176594540342
Energy: 0.6200289702720024
Energy: 0.5582785544096525
Energy: 0.570404221438837
Energy: 0.5754736670802237
Energy: 0.6345325796842652
Energy: 0.5704042214404919
Energy: 0.5754736670851879
Energy: 0.6345325796941936
Energy: 0.5704042214421464
Energy: 0.5754736670884673
Energy: 0.6345325796925388
Energy: 0.570404221438837
Energy: 0.6451347895450528
Energy: 0.5801189902508282
Energy: 0.6049612219538912
Energy: 0.6451347895599453
Energy: 0.5801189902574472
Energy: 0.6049612219505819
Energy: 0.6451347895632549
Energy: 0.5801189902541377
Energy: 0.6049612219572007
Energy: 0.6451347895483622
Energy: 0.5589473374457391
Energy: 0.6257625722569251
Energy: 0.607348487291318
Energy: 0.5589473374440844
Energy: 0.6257625722503062
Energy: 0.6073484872863538
Energy: 0.5589473374556675
Energy: 0.6257625722569251
Energy: 0.6073484872945974
Energy: 0.5589473374473939
Energy: 0.6205468703142687
Energy: 0.5501064225880633
Energy: 0.5755772170500009
Energy: 0.6205468703275064
Energy: 0.5501064225930274
Energy: 0.5755772170433819
Energy: 0.6205468703275064
Energy: 0.550106422596337
Energy: 0.5755772170433819
Energy: 0.6205468703241971
Energy: 0.585082807789375
Energy: 0.5731053390426647
Energy: 0.6337530236308878
Energy: 0.5850828077811012
Energy: 0.5731053390360457
Energy: 0.6337530236358521
Energy: 0.5850828077860655
Energy: 0.5731053390509082
Energy: 0.633753023642471
Energy: 0.5850828077910297
Energy: 0.6028118690888624
Energy: 0.6817993805326538
Energy: 0.5454936075390179
Energy: 0.6028118690987908
Energy: 0.6817993805359632
Energy: 0.5454936075373631
Energy: 0.6028118690971362
Energy: 0.6817993805276895
Energy: 0.5454936075373631
Energy: 0.602811869092172
Energy: 0.5788061624529913
Energy: 0.5729742214969787
Energy: 0.5759024056064144
Energy: 0.578802046404342
Energy: 0.5729795691729763
Energy: 0.5759024056047595
Energy: 0.578806162461265
Energy: 0.5729742214936694
Energy: 0.5759024055997953
Energy: 0.5788020464126157
Energy: 0.5543383544022538
Energy: 0.5734910948056677
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Energy: 0.5734910948023583
Energy: 0.5508374819921172
Energy: 0.5543383544022538
Energy: 0.6093277845913952
Energy: 0.5789680960328982
Energy: 0.5797241197055373
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Energy: 0.5789680960328982
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Energy: 0.609327784599669
Energy: 0.5789680960246246
Energy: 0.5797241196989183
Energy: 0.6093277845947048
Energy: 0.5700265387508978
Energy: 0.6232668630786323
Energy: 0.586165466515459
Energy: 0.5700294813663548
Energy: 0.6232668630720135
Energy: 0.5861654665204231
Energy: 0.5700265387475885
Energy: 0.623266863075323
Energy: 0.5861654665237326
Energy: 0.5700294813845267
Energy: 0.59356891535192
Energy: 0.555651305860517
Energy: 0.5957951823838961
Energy: 0.5935689153436464
Energy: 0.5556513058654812
Energy: 0.5957951823772771
Energy: 0.5935689153453011
Energy: 0.5556513058704454
Energy: 0.5957951823756223
Energy: 0.5935689153469558
Energy: 0.607149278319403
Energy: 0.6207083551581243
Energy: 0.6372403188798842
Energy: 0.6071492783078198
Energy: 0.6207083551498507
Energy: 0.6372403188831935
Energy: 0.6071492783144388
Energy: 0.6207083551614337
Energy: 0.6372403188831935
Energy: 0.6071492783160936
Energy: 0.6624215259543265
Energy: 0.5438737128120353
Energy: 0.6098815690387026
Energy: 0.6633550712119853
Energy: 0.5438763804359835
Energy: 0.6098815690353931
Energy: 0.6624215259543265
Energy: 0.5438737128120353
Energy: 0.6098815690387026
Energy: 0.6633550712037117
Energy: 0.6208536227289342
Energy: 0.5439492798446617
Energy: 0.6247891912084522
Energy: 0.6208536227355531
Energy: 0.5439492798463164
Energy: 0.6247891912018333
Energy: 0.6208536227322436
Energy: 0.5439492798430069
Energy: 0.6247891912067975
Energy: 0.620853622730589
Energy: 0.6393107559420207
Energy: 0.6087490877465765
Energy: 0.550730560334463
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Energy: 0.6087490877515408
Energy: 0.5507290966632054
Energy: 0.6393107559320923
Energy: 0.6087490877548504
Energy: 0.5507305603328082
Energy: 0.6393107559387112
Energy: 0.5512333338390355
Energy: 0.651550650942568
Energy: 0.6244767082625029
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Energy: 0.6515506509491868
Energy: 0.6244767082575688
Energy: 0.5512333338439998
Energy: 0.6515506509359491
Energy: 0.6244767082559142
Energy: 0.5512333338357261
Energy: 0.5745507515519026
Energy: 0.6214929720154546
Energy: 0.5858576197024421
Energy: 0.566752341786393
Energy: 0.6214929720303173
Energy: 0.585857619697478
Energy: 0.5745507515486231
Energy: 0.6214929720286624
Energy: 0.5858576197024421
Energy: 0.5667523417830836
Energy: 0.5745820955977339
Energy: 0.6518421737792683
Energy: 0.6121920286651423
Energy: 0.5667497226129221
Energy: 0.6518421737842326
Energy: 0.6117416613470177
Energy: 0.5745820956043529
Energy: 0.6518421737891668
Energy: 0.6121920286701065
Energy: 0.5667497226211656
Energy: 0.5515535382145841
Energy: 0.6700846323257951
Energy: 0.6481864995133353
Energy: 0.5515535382129293
Energy: 0.6700846323340386
Energy: 0.64818649951499
Energy: 0.551553538221203
Energy: 0.6700846323257951
Energy: 0.64818649951499
Energy: 0.5515535382162388
Energy: 0.6411288759795866
Energy: 0.5518296486609496
Energy: 0.61333575345875
Energy: 0.6411288759713129
Energy: 0.5518296486692235
Energy: 0.6133357534637143
Energy: 0.6411288759646939
Energy: 0.5518296486725328
Energy: 0.6133357534554407
Energy: 0.6411288759663487
Energy: 0.6132669576457693
Energy: 0.6248015993984832
Energy: 0.5526183944590767
Energy: 0.61326695764249
Energy: 0.6248015993951737
Energy: 0.5503087185974206
Energy: 0.6132669576457693
Energy: 0.6248015994017927
Energy: 0.5526183944690051
Energy: 0.6132669576441446
Energy: 0.6351724447527423
Energy: 0.604179885744866
Energy: 0.5438850504746912
Energy: 0.6351724447560517
Energy: 0.604179885744866
Energy: 0.5438850504780005
Energy: 0.635172444761016
Energy: 0.604179885744866
Energy: 0.5438850504680722
Energy: 0.6351724447643254
Energy: 0.6263885231558415
Energy: 0.628818676607558
Energy: 0.6142660554377908
Energy: 0.6263885231674245
Energy: 0.6288186766141768
Energy: 0.6142660554311719
Energy: 0.6263885231674245
Energy: 0.6288186766174862
Energy: 0.6142660554377908
Energy: 0.6263885231608057
Energy: 0.6227997284391583
Energy: 0.5598141484684237
Energy: 0.5508557421752645
Energy: 0.6227997284391583
Energy: 0.5598141484684237
Energy: 0.5508557421818834
Energy: 0.6227997284441223
Energy: 0.5598141484684237
Energy: 0.5508557421785739
Energy: 0.6227997284441223
Energy: 0.5703939422005948
Energy: 0.5784807046417755
Energy: 0.5746045574092775
Energy: 0.5703939422022495
Energy: 0.5784807046434302
Energy: 0.5746045574043435
Energy: 0.5703939421972853
Energy: 0.578480704638466
Energy: 0.5746045574175512
Energy: 0.5703939421939759
Energy: 0.6179944693906079
Energy: 0.5719555180647831
Energy: 0.5706182464053164
Energy: 0.6179944693972268
Energy: 0.5719555180697472
Energy: 0.5706182464168995
Energy: 0.617994469402191
Energy: 0.5719555180680925
Energy: 0.5706182464102806
Energy: 0.6179944693955721
Energy: 0.6539534964926257
Energy: 0.5498754287388778
Energy: 0.5591020965382432
Energy: 0.6539534964942804
Energy: 0.5498754287306042
Energy: 0.559102096544862
Energy: 0.6539534964959351
Energy: 0.5498754287372231
Energy: 0.5591020965432072
Energy: 0.6539534964926257
Energy: 0.5795373793501896
Energy: 0.6491759106211749
Energy: 0.5789785454550965
Energy: 0.5795373793551536
Energy: 0.6491759106261391
Energy: 0.5789785454501324
Energy: 0.5795373793485348
Energy: 0.6491759106311032
Energy: 0.5789785454501324
Energy: 0.5795373793501896
Energy: 0.5744187761529695
Energy: 0.5440834454106841
Energy: 0.6701992174694187
Energy: 0.5744187761579338
Energy: 0.544083471571926
Energy: 0.6701992174743828
Energy: 0.5744187761678621
Energy: 0.5440834454106841
Energy: 0.6701992174776923
Energy: 0.5744187761562789
Energy: 0.6163408768277807
Energy: 0.5582920841454052
Energy: 0.6192793818281869
Energy: 0.6163408768327147
Energy: 0.5582920841487147
Energy: 0.6192793818281869
Energy: 0.6163408768376789
Energy: 0.5582920841569884
Energy: 0.6192793818331511
Energy: 0.6163408768310901
Energy: 0.5716407073806397
Energy: 0.5714751787064833
Energy: 0.5506224926720199
Energy: 0.571640707390568
Energy: 0.5714751787164118
Energy: 0.5506225677733284
Energy: 0.571640707390568
Energy: 0.5714751787180665
Energy: 0.5506224926703652
Energy: 0.5716407073806397
Energy: 0.5510318089329838
Energy: 0.5912705836733058
Energy: 0.5966013282874252
Energy: 0.5510318089346385
Energy: 0.5912705836666867
Energy: 0.5966013282874252
Energy: 0.5510318089379479
Energy: 0.591270583671651
Energy: 0.5966013282874252
Energy: 0.5510318089296743
Energy: 0.5668455447812484
Energy: 0.6150077876067231
Energy: 0.6376525517213939
Energy: 0.5668455447862126
Energy: 0.6150077876116873
Energy: 0.6376525517197393
Energy: 0.5668455447944862
Energy: 0.6150077876232704
Energy: 0.6376525517164598
Energy: 0.5668455447762842

minimum gb energy = 0.5438737128120353 eV
minimum distance =  2.48117188695197 Angstroms
sigma value = 437


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

Energy: 0.5453733836484487
Energy: 0.5497454890100659
Energy: 0.5495341878355695
Energy: 0.5453733836472432
Energy: 0.5497454890124774
Energy: 0.5495341878331581
Energy: 0.5453733836484487
Energy: 0.5497454890082575
Energy: 0.5495341878361722
Energy: 0.5453733836478459
Energy: 0.6710457394176533
Energy: 0.5363605846560097
Energy: 0.5868200223090779
Energy: 0.671045739418859
Energy: 0.5363605846590239
Energy: 0.5868200223102836
Energy: 0.6710457394176533
Energy: 0.5363605846560097
Energy: 0.5868200223090779
Energy: 0.671045739418859
Energy: 0.6013677623115642
Energy: 0.5293231653907493
Energy: 0.6637626966849558
Energy: 0.6013677623145784
Energy: 0.5293231653865293
Energy: 0.6637626966909843
Energy: 0.601367762312167
Energy: 0.5293231653895436
Energy: 0.6637626966867645
Energy: 0.6013677623139756
Energy: 0.5873872976993305
Energy: 0.6313504657889497
Energy: 0.5830932869515638
Energy: 0.587387297697522
Energy: 0.6313504657895525
Energy: 0.5830932869539753
Energy: 0.5873872976999334
Energy: 0.6313504657901553
Energy: 0.5830932869509611
Energy: 0.5873872976981248
Energy: 0.5583139764474365
Energy: 0.5393650082314773
Energy: 0.6717373707579695
Energy: 0.558313976449848
Energy: 0.5393650082332857
Energy: 0.6717373707567637
Energy: 0.5583139764486422
Energy: 0.5393650082314773
Energy: 0.6717373707573666
Energy: 0.5583139764510536
Energy: 0.5575131515725557
Energy: 0.609814646003509
Energy: 0.535760521340396
Energy: 0.5575131515767755
Energy: 0.609814646004112
Energy: 0.5357605213446159
Energy: 0.5575131515737612
Energy: 0.609814646004112
Energy: 0.5357605213409989
Energy: 0.5575131515773785
Energy: 0.654577201443162
Energy: 0.575304344382684
Energy: 0.5294616587418252
Energy: 0.6545772014413809
Energy: 0.5462744155967918
Energy: 0.5294616587448393
Energy: 0.654577201443765
Energy: 0.5753043443869038
Energy: 0.5294616587418252
Energy: 0.654577201440778
Energy: 0.5791636955567531
Energy: 0.6273421140940727
Energy: 0.5760872590354162
Energy: 0.5791636955543416
Energy: 0.627342114092867
Energy: 0.5760872590408418
Energy: 0.5791636955567531
Energy: 0.6273421140946756
Energy: 0.5760872590348134
Energy: 0.5791636955543416
Energy: 0.7231202691778664
Energy: 0.586279756155905
Energy: 0.5398044734316079
Energy: 0.7231202691778664
Energy: 0.586279756155905
Energy: 0.5398044734297993
Energy: 0.723120269179675
Energy: 0.5862797561565078
Energy: 0.539804473431005
Energy: 0.7231202691760579
Energy: 0.5817038709684551
Energy: 0.5968315385051433
Energy: 0.6018108146288133
Energy: 0.5817038709744835
Energy: 0.596831538499745
Energy: 0.601810814451631
Energy: 0.5817038709684551
Energy: 0.5968315385009507
Energy: 0.6018108147637689
Energy: 0.5817038709750864
Energy: 0.5744730185094702
Energy: 0.5743166932350496
Energy: 0.5611175281542623
Energy: 0.5744730185112787
Energy: 0.5743166932350496
Energy: 0.5611175281524539
Energy: 0.5744730185094702
Energy: 0.5743166932362553
Energy: 0.5611175281536596
Energy: 0.5744730185100732
Energy: 0.5964468206341305
Energy: 0.5361787844001237
Energy: 0.5403133976845184
Energy: 0.596446820632322
Energy: 0.5361787843995207
Energy: 0.5403133976869297
Energy: 0.5964468206359391
Energy: 0.5361787843995207
Energy: 0.540313397682107
Energy: 0.5964468206335277
Energy: 0.5397016051554757
Energy: 0.5689136419183178
Energy: 0.53965792391093
Energy: 0.5397016051554757
Energy: 0.5689136419327587
Energy: 0.53965792391093
Energy: 0.5397016051554757
Energy: 0.5689136419261548
Energy: 0.53965792391093
Energy: 0.5397016051548729
Energy: 0.5449998964560523
Energy: 0.5445627976192439
Energy: 0.5770018854660917
Energy: 0.5449998964554496
Energy: 0.5445627976156268
Energy: 0.5770018854600631
Energy: 0.5449998964560523
Energy: 0.5445627976192439
Energy: 0.5770018854594603
Energy: 0.5449998964548467

minimum gb energy = 0.5293231653865293 eV
minimum distance =  2.5030057436324 Angstroms
sigma value = 33