Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0419338792562485
cohesive_energy=3.3704402760057754
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01042615956787898
Energy: 0.4845530112746856
Energy: 0.01042615956787898
Energy: 0.4845530112746856
Energy: 0.01042615956787898
Energy: 0.4845530112734591
Energy: 0.4845530112744347
Energy: 0.010661202848940884
Energy: 0.4845530112754103
Energy: 0.010661203644769638
Energy: 0.48455301127371003
Energy: 0.010661202237714745
Energy: 0.01042615956787898
Energy: 0.48455301127371003
Energy: 0.01042615956787898
Energy: 0.48455301127371003
Energy: 0.010426159568129837
Energy: 0.4845530112739609
Energy: 0.4845530112746856
Energy: 0.010661202451751204
Energy: 0.48455301127518735
Energy: 0.010661203499635138
Energy: 0.48455301127371003
Energy: 0.010661200978999745
Energy: 0.010426159568129837
Energy: 0.4845530112734591
Energy: 0.010426159568129837
Energy: 0.48455301127518735
Energy: 0.010426159568129837
Energy: 0.4845530112746856
Energy: 0.4845530112746856
Energy: 0.010661202509615471
Energy: 0.4845530112741838
Energy: 0.010661203023509234
Energy: 0.4845530112744347
Energy: 0.01066120251820034

minimum gb energy = 0.01042615956787898 eV
minimum distance =  2.85498882328272 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.6646907016283808
Energy: 0.6707255879947176
Energy: 0.6646907016289846
Energy: 0.6707255880025677
Energy: 0.6646907016283808
Energy: 0.6707255879947176
Energy: 0.7308110260966718
Energy: 0.5814321045404207
Energy: 0.7308110260966718
Energy: 0.5814321045416285
Energy: 0.7308110260972757
Energy: 0.5814321045410246
Energy: 0.6311841314642271
Energy: 0.7085981026930431
Energy: 0.6311841314630195
Energy: 0.708598102693647
Energy: 0.6311841314636233
Energy: 0.7085981026912318
Energy: 0.7030861531630577
Energy: 0.6073313642734783
Energy: 0.7030861531660769
Energy: 0.6073313642734783
Energy: 0.7030861531648692
Energy: 0.6073313642734783
Energy: 0.6459911173551689
Energy: 0.6901134979962219
Energy: 0.6459911173557726
Energy: 0.6901134979968259
Energy: 0.6459911173551689
Energy: 0.6901134979962219
Energy: 0.684367572187576
Energy: 0.6022048927045001
Energy: 0.684367572187576
Energy: 0.6022048926996691
Energy: 0.684367572187576
Energy: 0.6022048927002731
Energy: 0.6537909734245966
Energy: 0.6811470800444187
Energy: 0.6537909734245966
Energy: 0.6811470800534764
Energy: 0.6537909734239927
Energy: 0.6811470800401918
Energy: 0.6231983181253901
Energy: 0.7021377339878182
Energy: 0.6231983181259939
Energy: 0.7021377339926216
Energy: 0.6231983181272016
Energy: 0.702137733989026
Energy: 0.6874814512943043
Energy: 0.6618039646458543
Energy: 0.6874814512930966
Energy: 0.6618039646458543
Energy: 0.6874814512937003
Energy: 0.6618039646458543
Energy: 0.573039221431702
Energy: 0.7142993921142817
Energy: 0.5730392214377406
Energy: 0.7142993921142817
Energy: 0.573039221440156
Energy: 0.7142993921142817
Energy: 0.7340005678635357
Energy: 0.6014056320005484
Energy: 0.7340005678526665
Energy: 0.6014056320005484
Energy: 0.7340005678140481
Energy: 0.6014056320005484
Energy: 0.5547880552056045
Energy: 0.7335185626457081
Energy: 0.5547880552050007
Energy: 0.7335185626457081
Energy: 0.554788055204397
Energy: 0.7335185626457081
Energy: 0.7244067398906517
Energy: 0.5699503487278434
Energy: 0.7244067398912557
Energy: 0.5699503487278434
Energy: 0.7244067398906517
Energy: 0.5699503487278434
Energy: 0.6048935857185648
Energy: 0.6741137112197546
Energy: 0.6048935857149417
Energy: 0.6741137112269733
Energy: 0.6048935857167532
Energy: 0.6741137112173392
Energy: 0.7264243011289659
Energy: 0.5886336212893465
Energy: 0.7264243011289659
Energy: 0.5886336212814965
Energy: 0.7264243011283621
Energy: 0.5886336212887426
Energy: 0.7039074358597078
Energy: 0.676044293539645
Energy: 0.7039074358585
Energy: 0.6760442935372295
Energy: 0.7039074358603116
Energy: 0.6760442935402489
Energy: 0.6831286374105091
Energy: 0.641606392958901
Energy: 0.6831286374105091
Energy: 0.641606392958901
Energy: 0.6831286374105091
Energy: 0.641606392958901
Energy: 0.6867414620476144
Energy: 0.6192189449100937
Energy: 0.6867414620476144
Energy: 0.6192189449082821
Energy: 0.6867414620470106
Energy: 0.6192189449082821
Energy: 0.6232595880422324
Energy: 0.6446528258196988
Energy: 0.6232595880422324
Energy: 0.6446528258196988
Energy: 0.6232595880422324
Energy: 0.6446528258196988
Energy: 0.707854673942092
Energy: 0.6059775397500832
Energy: 0.7078546739408843
Energy: 0.6059775397567255
Energy: 0.707854673942092
Energy: 0.6059775397506871
Energy: 0.5771752934589686
Energy: 0.7334384823818005
Energy: 0.5771752934589686
Energy: 0.7334384823902543
Energy: 0.5771752934589686
Energy: 0.7334384823902543
Energy: 0.6751703435410513
Energy: 0.6497577523656967
Energy: 0.6751703435416552
Energy: 0.6497577523687159
Energy: 0.675170343542259
Energy: 0.6497577523681121
Energy: 0.6215848795335219
Energy: 0.7053544445617871
Energy: 0.6215848795335219
Energy: 0.7053544445696369
Energy: 0.5872109831549865
Energy: 0.7053544445635985

minimum gb energy = 0.554788055204397 eV
minimum distance =  2.56926432120972 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.646491970014637
Energy: 0.6587604112129946
Energy: 0.6464919700142936
Energy: 0.6587604112129946
Energy: 0.6464919700142936
Energy: 0.6587604112129946
Energy: 0.7282066446637065
Energy: 0.6069014916042104
Energy: 0.7282066446664542
Energy: 0.6069014916028365
Energy: 0.7282066446661107
Energy: 0.6069014916066146
Energy: 0.5518464374701766
Energy: 0.6569794402610681
Energy: 0.5518464374107573
Energy: 0.6569794402607246
Energy: 0.5518464373881201
Energy: 0.6569794402610681
Energy: 0.6592398671232803
Energy: 0.6823579190703061
Energy: 0.6592398671205327
Energy: 0.6823579190699626
Energy: 0.6592398671359574
Energy: 0.6823579190696192
Energy: 0.6121431197317054
Energy: 0.6806646435988554
Energy: 0.6121431197320489
Energy: 0.6806646435988554
Energy: 0.6121431197320489
Energy: 0.6806646435998858
Energy: 0.6167697970284427
Energy: 0.5744151981699531
Energy: 0.6167697970267254
Energy: 0.5744151981682357
Energy: 0.6167697970277557
Energy: 0.5744151981692661
Energy: 0.6754438665483511
Energy: 0.6576609905472117
Energy: 0.6754438665514423
Energy: 0.6576609905468683
Energy: 0.6754438665486945
Energy: 0.6576609905465248
Energy: 0.5733016968047728
Energy: 0.6815453737187964
Energy: 0.5733016968037424
Energy: 0.6815453737184529
Energy: 0.5733016968085509
Energy: 0.6815453737187964
Energy: 0.6247429750959842
Energy: 0.5461531338956548
Energy: 0.6247429751035403
Energy: 0.5461531339018372
Energy: 0.6247429751083488
Energy: 0.546153133903898
Energy: 0.5769396471549332
Energy: 0.7020805792603936
Energy: 0.5769396471559635
Energy: 0.702080579251807
Energy: 0.5769396471556201
Energy: 0.7020805792583328
Energy: 0.6783292047687242
Energy: 0.5787207006783424
Energy: 0.6783291970260249
Energy: 0.5787207006783424
Energy: 0.6783292012720777
Energy: 0.5787207006783424
Energy: 0.5505525340628407
Energy: 0.6309978386228362
Energy: 0.5505525340642143
Energy: 0.6309978386176843
Energy: 0.5505525340642143
Energy: 0.6309978386369183
Energy: 0.6792315382938421
Energy: 0.5739300374978362
Energy: 0.6792315382934985
Energy: 0.5739300374992101
Energy: 0.6792315382979636
Energy: 0.5739300374974928
Energy: 0.6597735237354503
Energy: 0.6604218721659053
Energy: 0.6597735237354503
Energy: 0.6604218721686529
Energy: 0.6597735237354503
Energy: 0.6604218721672791
Energy: 0.6817628416400642
Energy: 0.6153492435518982
Energy: 0.6817628416404077
Energy: 0.6153492435518982
Energy: 0.6817628416410946
Energy: 0.6153492435522419
Energy: 0.6022658549299691
Energy: 0.5996261640514731
Energy: 0.6022658549299691
Energy: 0.5996261640500993
Energy: 0.6022658549303125
Energy: 0.5996261640456342
Energy: 0.6888354158002837
Energy: 0.6660289250409132
Energy: 0.6888354158006271
Energy: 0.6660289250381655
Energy: 0.6888354158002837
Energy: 0.6660289250261442
Energy: 0.6202051207309484
Energy: 0.5717145823984936
Energy: 0.6202051207326655
Energy: 0.5717145824008979
Energy: 0.6202051207296055
Energy: 0.571714582399524
Energy: 0.6091534103537716
Energy: 0.7160094387824485
Energy: 0.6091534103520543
Energy: 0.7160094387827921
Energy: 0.6091534103527413
Energy: 0.7160094387817616
Energy: 0.6577932701724069
Energy: 0.6522372143950999
Energy: 0.6577932701724069
Energy: 0.6522372143954434
Energy: 0.6577932701724069
Energy: 0.6522372143954434
Energy: 0.5887771154107199
Energy: 0.7060080766692135
Energy: 0.5887771154124374
Energy: 0.7060080766668092
Energy: 0.5887771154124374
Energy: 0.706008076668183
Energy: 0.662199180608667
Energy: 0.5615677176086451
Energy: 0.6621991805540876
Energy: 0.5615677176096755
Energy: 0.6621991805822516
Energy: 0.5615677176093321
Energy: 0.5793058789579646
Energy: 0.7320663355453151
Energy: 0.5793058789579646
Energy: 0.732066335546002
Energy: 0.5793058789579646
Energy: 0.7320663355477193
Energy: 0.7021790964743467
Energy: 0.6103173575931607
Energy: 0.7021790964740032
Energy: 0.6103173575931607
Energy: 0.7021790964890845
Energy: 0.6103173575928174
Energy: 0.5880814815272519
Energy: 0.6672495008984455
Energy: 0.5880814815275953
Energy: 0.6672495008977587
Energy: 0.5880814815272519
Energy: 0.6672495008987889
Energy: 0.6626097118805083
Energy: 0.690039314511113
Energy: 0.6626097118805083
Energy: 0.6900393145097391
Energy: 0.6626097118808517
Energy: 0.6900393145107695
Energy: 0.667729889506279
Energy: 0.6857740023341217
Energy: 0.6677298895207044
Energy: 0.6857740023344651
Energy: 0.6677298895124614
Energy: 0.6857740023327478
Energy: 0.585186072310196
Energy: 0.6703953527607815
Energy: 0.5851860723105395
Energy: 0.6703953527638727
Energy: 0.585186072310196
Energy: 0.6703953527618121
Energy: 0.7018780089214675
Energy: 0.5971042059590453
Energy: 0.7018780089221545
Energy: 0.597104205948398
Energy: 0.7018780089218108
Energy: 0.5971042059480545
Energy: 0.5822460242914085
Energy: 0.7313648948270778
Energy: 0.5822460242910651
Energy: 0.7313648948274212
Energy: 0.5822460242910651
Energy: 0.7313648948263909
Energy: 0.6638647303662937
Energy: 0.5510142352898524
Energy: 0.6638647303470909
Energy: 0.5510142352898524
Energy: 0.6638647303676676
Energy: 0.5510142352922568
Energy: 0.5699106210240998
Energy: 0.7046991239234685
Energy: 0.5699106210230696
Energy: 0.7046991239227814
Energy: 0.5699106210237564
Energy: 0.7046991239255292
Energy: 0.6516704882571654
Energy: 0.6484260873236937
Energy: 0.6516704882719344
Energy: 0.6484260873226633
Energy: 0.6516704882681563
Energy: 0.6484260873236937
Energy: 0.6121031349221616
Energy: 0.715017472370564
Energy: 0.6121031349221616
Energy: 0.7150174723691901
Energy: 0.6121031349221616
Energy: 0.715017472370564
Energy: 0.6092407064650531
Energy: 0.5850775056257332
Energy: 0.6092407064647097
Energy: 0.5850775056257332
Energy: 0.6092407064650531
Energy: 0.5850775056260767
Energy: 0.6878788212958942
Energy: 0.6763447933877061
Energy: 0.6878788212962376
Energy: 0.6763447933877061
Energy: 0.6878788212962376
Energy: 0.6763447933880495
Energy: 0.6010786046659962
Energy: 0.597865766333777
Energy: 0.6010786046635918
Energy: 0.597865766423015
Energy: 0.6010786046656527
Energy: 0.5978657665696114
Energy: 0.693728356523112
Energy: 0.6186714112935646
Energy: 0.6937283565258597
Energy: 0.6186714113038685
Energy: 0.6937283565303248
Energy: 0.618671411294595
Energy: 0.6599361780019152
Energy: 0.6583373660433331
Energy: 0.6599361780022587
Energy: 0.6583373660361204
Energy: 0.6599361780015717
Energy: 0.6583373660388682
Energy: 0.678823279292624
Energy: 0.5618940922510505
Energy: 0.6788232792953716
Energy: 0.5618940922074306
Energy: 0.6788232792953716
Energy: 0.5618940922050264
Energy: 0.5694114111473516
Energy: 0.6891819606803127
Energy: 0.569411411147695
Energy: 0.6891819606785954
Energy: 0.5694114111480386
Energy: 0.6891819606806562

minimum gb energy = 0.5461531338956548 eV
minimum distance =  2.63293964328895 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.6222220916154865
Energy: 0.6488422400556584
Energy: 0.6222220916162823
Energy: 0.6488422400556584
Energy: 0.6222220916154865
Energy: 0.6488422400556584
Energy: 0.7173716081953252
Energy: 0.6189219456234883
Energy: 0.7173716188113519
Energy: 0.6189219456234883
Energy: 0.7173715900654988
Energy: 0.6189219456226926
Energy: 0.5998542065518472
Energy: 0.69454503904176
Energy: 0.599854206548664
Energy: 0.6945450390552886
Energy: 0.5998542065526429
Energy: 0.6945450390345977
Energy: 0.6399192609104887
Energy: 0.5870863435328119
Energy: 0.6399192609112845
Energy: 0.5870863435336077
Energy: 0.6399192609104887
Energy: 0.5870863435336077
Energy: 0.6561815717704785
Energy: 0.6440336957439793
Energy: 0.6561815717696827
Energy: 0.6440336957431835
Energy: 0.6561815717704785
Energy: 0.6440336957447752
Energy: 0.6656399428405385
Energy: 0.6330921229779779
Energy: 0.6656399428397428
Energy: 0.6330921229771821
Energy: 0.6656399428397428
Energy: 0.6330921229771821
Energy: 0.6777189672356426
Energy: 0.6275031230748107
Energy: 0.6777189672364202
Energy: 0.6275031230732191
Energy: 0.6777189672356426
Energy: 0.6275031230732191
Energy: 0.5949836628644428
Energy: 0.6526317734612865
Energy: 0.5949836628636471
Energy: 0.6526317734604907
Energy: 0.5949836628652386
Energy: 0.6526317734604907
Energy: 0.729865314188489
Energy: 0.5746688987020651
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Energy: 0.5746688987028608
Energy: 0.72986531418451
Energy: 0.5746688987012691
Energy: 0.5829919764994344
Energy: 0.7486741248083703
Energy: 0.5829919764986385
Energy: 0.7486741248083703
Energy: 0.58299197650023
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Energy: 0.75971002701887
Energy: 0.5721900600304168
Energy: 0.759710027019666
Energy: 0.572190060029621
Energy: 0.759710027019666
Energy: 0.5721900600304168
Energy: 0.6266280259243812
Energy: 0.6368888942433395
Energy: 0.6266280260468802
Energy: 0.6368888942878861
Energy: 0.6266280259617657
Energy: 0.6368888942616248
Energy: 0.7330171624285406
Energy: 0.6189275523297824
Energy: 0.7330171624261532
Energy: 0.6189275523289866
Energy: 0.733017162426949
Energy: 0.6189275523289866
Energy: 0.6325979611235596
Energy: 0.6259525270652838
Energy: 0.6325979611434546
Energy: 0.6259525270652838
Energy: 0.6325979611617399
Energy: 0.6259525270652838
Energy: 0.6482835087058078
Energy: 0.6361273406950719
Energy: 0.648283508708991
Energy: 0.6361273406950719
Energy: 0.648283508708991
Energy: 0.6361273406950719
Energy: 0.6697019122127444
Energy: 0.6300081995681959
Energy: 0.6697019122127444
Energy: 0.6300081995618475
Energy: 0.6697019122127444
Energy: 0.6300081995674002
Energy: 0.6609567602762083
Energy: 0.7058614760142747
Energy: 0.6609567602785957
Energy: 0.7058614760174577
Energy: 0.6609567602730252
Energy: 0.7058614760158661
Energy: 0.6358297862844227
Energy: 0.6242512478446212
Energy: 0.6358297862844227
Energy: 0.6242512478446212
Energy: 0.6358297862852185
Energy: 0.6242512478446212

minimum gb energy = 0.572190060029621 eV
minimum distance =  2.55091318134903 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.5177387718070323
Energy: 0.569693316200203
Energy: 0.517738771813169
Energy: 0.5696933161997312
Energy: 0.5177387718042001
Energy: 0.569693316200203
Energy: 0.6809809633047837
Energy: 0.6363501169634633
Energy: 0.6809809632972524
Energy: 0.6363501169714666
Energy: 0.6809809632958362
Energy: 0.6363501169658236
Energy: 0.5390565677596769
Energy: 0.636200087912604
Energy: 0.5390565677601491
Energy: 0.6362000881371903
Energy: 0.5390565677601491
Energy: 0.6362000875058723
Energy: 0.5636323572071851
Energy: 0.534808432702401
Energy: 0.5636323572071851
Energy: 0.534808432702401
Energy: 0.5636323572067131
Energy: 0.534808432702401
Energy: 0.5659658449963977
Energy: 0.5644245072006923
Energy: 0.5659658449959256
Energy: 0.5644245072110773
Energy: 0.5659658449968696
Energy: 0.5644245071973879
Energy: 0.5382451852816729
Energy: 0.5647030301540255
Energy: 0.5382451656056353
Energy: 0.5647030301540255
Energy: 0.5382451894649617
Energy: 0.5647030301563857
Energy: 0.5659191906486221
Energy: 0.526712753823207
Energy: 0.5659191906523985
Energy: 0.5267127538241511
Energy: 0.5659191906528706
Energy: 0.5267127538255674
Energy: 0.5473392584345848
Energy: 0.641576110559434
Energy: 0.5473392584350567
Energy: 0.6415761105920053
Energy: 0.5473392584355288
Energy: 0.6415761105849246
Energy: 0.6907790576808831
Energy: 0.6351281824382776
Energy: 0.690779057680411
Energy: 0.6351281817196741
Energy: 0.6907790576808831
Energy: 0.6351281809977664
Energy: 0.5177387718197776
Energy: 0.5696933161997312
Energy: 0.5177387718108087
Energy: 0.569693316200203
Energy: 0.5177387718070323
Energy: 0.5696933161997312
Energy: 0.6809809633298021
Energy: 0.6363501170026217
Energy: 0.6809809633411312
Energy: 0.63635011700687
Energy: 0.6809809633392431
Energy: 0.6363501170078142
Energy: 0.5390565677596769
Energy: 0.6362000884155898
Energy: 0.5390565677596769
Energy: 0.6362000893007396
Energy: 0.5390565677601491
Energy: 0.6362000884320901
Energy: 0.5636323572081292
Energy: 0.5348084327019289
Energy: 0.5636323572057689
Energy: 0.534808432702401
Energy: 0.5636323572071851
Energy: 0.534808432702401
Energy: 0.5659658449954535
Energy: 0.5644245071997482
Energy: 0.5659658449954535
Energy: 0.5644245072068289
Energy: 0.5659658449954535
Energy: 0.5644245071959718
Energy: 0.5382451635517224
Energy: 0.5647030301573298
Energy: 0.5382451657212222
Energy: 0.5647030301530814
Energy: 0.5382451557768108
Energy: 0.5647030301549695
Energy: 0.5659191906495662
Energy: 0.5267127538246231
Energy: 0.5659191906490941
Energy: 0.5267127538246231
Energy: 0.5659191906490941
Energy: 0.526712753822735
Energy: 0.5473392584355288
Energy: 0.6415761105754836
Energy: 0.5473392584355288
Energy: 0.6415761105471823
Energy: 0.5473392584355288
Energy: 0.6415761105391575
Energy: 0.6907790576822992
Energy: 0.6351281760684954
Energy: 0.6907790576837155
Energy: 0.635128176556848
Energy: 0.6907790576818273
Energy: 0.6351281738074616
Energy: 0.5177387717999516
Energy: 0.5696933161992591
Energy: 0.5177387717975914
Energy: 0.5696933161997312
Energy: 0.5177387717966473
Energy: 0.5696933161992591
Energy: 0.6809809633439635
Energy: 0.6363501170450844
Energy: 0.6809809633359388
Energy: 0.6363501170455563
Energy: 0.6809809633274418
Energy: 0.6363501170493328
Energy: 0.5390565677601491
Energy: 0.6362000845564462
Energy: 0.5390565677601491
Energy: 0.6362000842020901
Energy: 0.5390565677601491
Energy: 0.6362000843667481
Energy: 0.5636323572086013
Energy: 0.534808432702401
Energy: 0.5636323572038807
Energy: 0.534808432702401
Energy: 0.563632357204825
Energy: 0.534808432702401
Energy: 0.5659658449963977
Energy: 0.5644245071591737
Energy: 0.5659658449959256
Energy: 0.5644245071610619
Energy: 0.5659658449963977
Energy: 0.5644245071700308
Energy: 0.5382451718013186
Energy: 0.5647030301606341
Energy: 0.5382451610604377
Energy: 0.5647030301620501
Energy: 0.5382451693553074
Energy: 0.5647030301634663
Energy: 0.5659191906519263
Energy: 0.526712753823207
Energy: 0.5659191906528706
Energy: 0.5267127538222629
Energy: 0.5659191906523985
Energy: 0.526712753823207
Energy: 0.5473392584345848
Energy: 0.6415761106094494
Energy: 0.5473392584350567
Energy: 0.6415761105976698
Energy: 0.5473392584350567
Energy: 0.6415761105655707
Energy: 0.6907790576813553
Energy: 0.6351281780921975
Energy: 0.6907790576813553
Energy: 0.6351281771527624
Energy: 0.6907790576813553
Energy: 0.635128175813698
Energy: 0.5177387718065602
Energy: 0.5696933161997312
Energy: 0.5177387717862624
Energy: 0.5696933161997312
Energy: 0.5177387718042001
Energy: 0.5696933161997312
Energy: 0.6809809633599915
Energy: 0.6363501170677425
Energy: 0.6809809633590476
Energy: 0.6363501170663264
Energy: 0.6809809633496066
Energy: 0.6363501170616059
Energy: 0.5390565677606212
Energy: 0.6362000854373474
Energy: 0.5390565677601491
Energy: 0.6362000851863265
Energy: 0.5390565677606212
Energy: 0.6362000853500619

minimum gb energy = 0.5177387717862624 eV
minimum distance =  2.57605382706617 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.5237004025956478
Energy: 0.5275748528848591
Energy: 0.5237004025216727
Energy: 0.5275748528825465
Energy: 0.523700402496261
Energy: 0.5275748528837028
Energy: 0.7609577907472824
Energy: 0.5826012277571341
Energy: 0.7609577907449698
Energy: 0.5826012277582903
Energy: 0.7609577907472824
Energy: 0.5826012277582903
Energy: 0.5605675541436287
Energy: 0.5978105275683382
Energy: 0.5605675541436287
Energy: 0.5978105268887663
Energy: 0.5605675541436287
Energy: 0.597810526965054
Energy: 0.6757039788723125
Energy: 0.5172600074419564
Energy: 0.6757039788723125
Energy: 0.5172600074408001
Energy: 0.6757039788723125
Energy: 0.5172600074419564
Energy: 0.6620442509139565
Energy: 0.5233395164483257
Energy: 0.6620442509162691
Energy: 0.5233395164460132
Energy: 0.6620442509162691
Energy: 0.5233395164483257
Energy: 0.6341392526376529
Energy: 0.6391210214392385
Energy: 0.6341392526388092
Energy: 0.6391210214750567
Energy: 0.6341392526388092
Energy: 0.6391210214796816
Energy: 0.6065630308909505
Energy: 0.5739226606573727
Energy: 0.6065630308897944
Energy: 0.5739226606573727
Energy: 0.6065630308921068
Energy: 0.5739226606573727
Energy: 0.5612942788214971
Energy: 0.5279691514481245
Energy: 0.5612942788191847
Energy: 0.5279691514481245
Energy: 0.5612942788203409
Energy: 0.5279691514481245
Energy: 0.6539925451111344
Energy: 0.5648832966403797
Energy: 0.653992426463416
Energy: 0.5648832966403797
Energy: 0.6539924680914725
Energy: 0.5648832966403797
Energy: 0.5837139006072084
Energy: 0.6497335009647381
Energy: 0.5837139006072084
Energy: 0.6497335009647381
Energy: 0.5837139006072084
Energy: 0.6497335009658943
Energy: 0.5444084273327513
Energy: 0.5108099597345641
Energy: 0.5444084273339076
Energy: 0.5108099597345641
Energy: 0.5444084273339076
Energy: 0.5108099597345641
Energy: 0.677910011278374
Energy: 0.6653945066050454
Energy: 0.677910011278374
Energy: 0.6653945066062016
Energy: 0.677910011278374
Energy: 0.6653945066062016

minimum gb energy = 0.5108099597345641 eV
minimum distance =  2.55967739140108 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.5469707447933957
Energy: 0.5615882340711931
Energy: 0.5469707447937205
Energy: 0.5615882340724926
Energy: 0.546970744789497
Energy: 0.5615882340695686
Energy: 0.6738859054051243
Energy: 0.5490057558304106
Energy: 0.6738859054054491
Energy: 0.5490057558304106
Energy: 0.6738859054025251
Energy: 0.5490057558304106
Energy: 0.5062752003978215
Energy: 0.6770788913431022
Energy: 0.5062752003968468
Energy: 0.6770788913463509
Energy: 0.5062752003974966
Energy: 0.677078891335305
Energy: 0.4911594539306544
Energy: 0.4815266952979556
Energy: 0.49115945393032956
Energy: 0.4815266953060777
Energy: 0.4911594539316291
Energy: 0.48152669530445324
Energy: 0.5449682293811111
Energy: 0.5346707457634426
Energy: 0.5449682293814361
Energy: 0.534670745765392
Energy: 0.5449682293814361
Energy: 0.5346707457640923
Energy: 0.5594102434366943
Energy: 0.6003167652415163
Energy: 0.559410243441863
Energy: 0.6003167652421662
Energy: 0.5594102434314961
Energy: 0.6003167652421662
Energy: 0.5605374065347659
Energy: 0.5563942640760627
Energy: 0.5605374065360655
Energy: 0.5563942640741134
Energy: 0.5605374065344411
Energy: 0.556394264075088
Energy: 0.4617061115218535
Energy: 0.5579092933507278
Energy: 0.4617061115562617
Energy: 0.5579092933504028
Energy: 0.46170611152152863
Energy: 0.5579092933507278
Energy: 0.6622083214991722
Energy: 0.5408721700231603
Energy: 0.6622083214462458
Energy: 0.5408721700231603
Energy: 0.6622083214436466
Energy: 0.54087217002381
Energy: 0.6150326546364595
Energy: 0.661600682750334
Energy: 0.6150326546367845
Energy: 0.661600682742212
Energy: 0.6150326546364595
Energy: 0.6616006827506589
Energy: 0.49443257108619076
Energy: 0.4837354595061557
Energy: 0.4944325710865156
Energy: 0.48373545950453123
Energy: 0.4944325710868406
Energy: 0.48373545950810504
Energy: 0.5171034603066537
Energy: 0.6198302512736452
Energy: 0.517103460306004
Energy: 0.6198302512739701
Energy: 0.517103460308928
Energy: 0.6198302512733204
Energy: 0.6128767815018893
Energy: 0.585355013531209
Energy: 0.6128767815249562
Energy: 0.585355013531209
Energy: 0.6128767815892536
Energy: 0.5853550135328335
Energy: 0.5635860896196184
Energy: 0.6666377932444625
Energy: 0.5635860896306645
Energy: 0.6666377932451123
Energy: 0.5635860896303396
Energy: 0.6666377932447874
Energy: 0.501063642073582
Energy: 0.5356789363845779
Energy: 0.5010636420781305
Energy: 0.5356789363845779
Energy: 0.5010636420781305
Energy: 0.5356789363858773
Energy: 0.615935013265508
Energy: 0.5261422148851387
Energy: 0.6159350132651831
Energy: 0.5261422150345263
Energy: 0.6159350132642084
Energy: 0.5261422148543042
Energy: 0.6390993709808837
Energy: 0.587217150168973
Energy: 0.6390993709812086
Energy: 0.5872171501673485
Energy: 0.6390993709812086
Energy: 0.5872171501559775
Energy: 0.49829225467947263
Energy: 0.5022700771495112
Energy: 0.4982922546797975
Energy: 0.5022700771495112
Energy: 0.4982922546801224
Energy: 0.5022700771495112
Energy: 0.48439740714435536
Energy: 0.6454732615536684
Energy: 0.48439740714468027
Energy: 0.6454732615536684
Energy: 0.48439740714435536
Energy: 0.6454732615536684
Energy: 0.6667443357837797
Energy: 0.6172547556684645
Energy: 0.6667443357694849
Energy: 0.6172547556687894
Energy: 0.6667443357681853
Energy: 0.6172547556684645
Energy: 0.46424956536160256
Energy: 0.63919344967175
Energy: 0.4642495653564045
Energy: 0.6391934496707753
Energy: 0.464249565360628
Energy: 0.6391934496720748
Energy: 0.4800249559514767
Energy: 0.5098632505391613
Energy: 0.48002495594790295
Energy: 0.5098632505394861
Energy: 0.4800249559514767
Energy: 0.5098632505391613
Energy: 0.6393362225981993
Energy: 0.5954236695646713
Energy: 0.6393362226137939
Energy: 0.5954236695510557
Energy: 0.6393362225988491
Energy: 0.5954236695478069
Energy: 0.6080456768599922
Energy: 0.5653041223991977
Energy: 0.6080456768681143
Energy: 0.5653041224034211
Energy: 0.6080456768635659
Energy: 0.5653041223946492
Energy: 0.4826476533790647
Energy: 0.5332465832121429
Energy: 0.4826476533946591
Energy: 0.5332465832105184
Energy: 0.4826476533790647
Energy: 0.5332465832098687
Energy: 0.5639694239758157
Energy: 0.583535780088692
Energy: 0.5639694239592467
Energy: 0.583535780088692
Energy: 0.5639694239358845
Energy: 0.583535780088367
Energy: 0.5921740285522823
Energy: 0.575322923489027
Energy: 0.5921740284759641
Energy: 0.5753229235007228
Energy: 0.5921740288188939
Energy: 0.5753229234935753
Energy: 0.5293142948629445
Energy: 0.5278102384521285
Energy: 0.5293142948632693
Energy: 0.5278102385034305
Energy: 0.5293142948632693
Energy: 0.527810238474191
Energy: 0.48763712170527385
Energy: 0.47725927293335835
Energy: 0.4876371217046241
Energy: 0.47725927292101267
Energy: 0.4876371217046241
Energy: 0.4772592729271855
Energy: 0.6156339804275723
Energy: 0.6791824624022711
Energy: 0.6156339804278972
Energy: 0.6791824624016213
Energy: 0.6156339804278972
Energy: 0.6791824624019461
Energy: 0.6854955963011344
Energy: 0.5517223823727689
Energy: 0.6854955963076321
Energy: 0.5517223823737436
Energy: 0.6854955963095813
Energy: 0.5517223823730938
Energy: 0.46142296906522173
Energy: 0.5523355953654262
Energy: 0.461422969064572
Energy: 0.5523355953667258
Energy: 0.461422969064572
Energy: 0.552335595366401
Energy: 0.5459146958726255
Energy: 0.5538856569324672
Energy: 0.5459146957924087
Energy: 0.553885656921746
Energy: 0.5459146958826969
Energy: 0.5538856569194719
Energy: 0.5562346632843906
Energy: 0.599611463170083
Energy: 0.55623466330158
Energy: 0.5996114631694331
Energy: 0.5562346632778931
Energy: 0.5996114631687834
Energy: 0.5525308871250147
Energy: 0.5354131948934935
Energy: 0.5525308871253397
Energy: 0.5354131948954428
Energy: 0.552530887124365
Energy: 0.5354131948964175
Energy: 0.4997965923658263
Energy: 0.4944137189246451
Energy: 0.4997965923658263
Energy: 0.49441371892659436
Energy: 0.4997965923651765
Energy: 0.4944137189233455
Energy: 0.5091032886188415
Energy: 0.6580467884428463
Energy: 0.509103288619816
Energy: 0.6580467884454453
Energy: 0.509103288620141
Energy: 0.6580467884480443
Energy: 0.6678844196487089
Energy: 0.5636351812745575
Energy: 0.6678844197074834
Energy: 0.5636351812752072
Energy: 0.6678844196431858
Energy: 0.5636351812755321
Energy: 0.5469707448083403
Energy: 0.5615882340614465
Energy: 0.5469707448080154
Energy: 0.5615882340598221
Energy: 0.5469707448083403
Energy: 0.5615882340607967
Energy: 0.6738859054294906
Energy: 0.5490057558326847
Energy: 0.673885905428191
Energy: 0.5490057558323599
Energy: 0.6738859054268915
Energy: 0.5490057558326847
Energy: 0.5062752003961971
Energy: 0.6770788911982629
Energy: 0.5062752003974966
Energy: 0.6770788912093091
Energy: 0.506275200396522
Energy: 0.6770788912047606
Energy: 0.49115945393292865
Energy: 0.48152669536192827
Energy: 0.49115945393000465
Energy: 0.4815266953668015
Energy: 0.49115945393260374
Energy: 0.4815266953518569
Energy: 0.5449682293811111
Energy: 0.5346707457618183
Energy: 0.5449682293807863
Energy: 0.5346707457618183
Energy: 0.5449682293811111
Energy: 0.5346707457611686

minimum gb energy = 0.461422969064572 eV
minimum distance =  2.64171873099269 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.2862644611464627
Energy: 0.30549283314499276
Energy: 0.2862644611464627
Energy: 0.30549283314499276
Energy: 0.2862644611464627
Energy: 0.30549283314499276
Energy: 0.3620108968204518
Energy: 0.37510042514954406
Energy: 0.3620108968219309
Energy: 0.3751004251569396
Energy: 0.3620108968204518
Energy: 0.3751004251562
Energy: 0.37141099874090766
Energy: 0.41451015010741743
Energy: 0.37141099874090766
Energy: 0.4145101501125943
Energy: 0.37141099873868894
Energy: 0.41451015008304576
Energy: 0.3226253325973596
Energy: 0.30623905054046435
Energy: 0.3226253325973596
Energy: 0.30623905054046435
Energy: 0.3226253325973596
Energy: 0.30623905054046435
Energy: 0.3625220541767068
Energy: 0.3292660536366701
Energy: 0.3625220541752276
Energy: 0.32926605318500474
Energy: 0.3625220541781859
Energy: 0.32926605254999747
Energy: 0.3551817366888733
Energy: 0.42260271598129245
Energy: 0.3551817366888733
Energy: 0.4226027159864693
Energy: 0.3551817366881338
Energy: 0.4226027159827716
Energy: 0.35062734573260096
Energy: 0.3305107259266192
Energy: 0.35062734573260096
Energy: 0.33050994789466653
Energy: 0.35062734573260096
Energy: 0.3304957608456913
Energy: 0.3476541731730395
Energy: 0.329961315450258
Energy: 0.3476541731737791
Energy: 0.3299613157651732
Energy: 0.3476541731730395
Energy: 0.329961314924671
Energy: 0.32652043113909307
Energy: 0.3048079712515718
Energy: 0.32652043113909307
Energy: 0.3048079712508322
Energy: 0.32652043113909307
Energy: 0.3048079712515718
Energy: 0.31930683944123456
Energy: 0.3630013750030358
Energy: 0.3193068380337639
Energy: 0.3630011356124547
Energy: 0.31930683955210026
Energy: 0.3630012838499775
Energy: 0.33391896318329944
Energy: 0.3728692882815155
Energy: 0.33391896309310753
Energy: 0.3728692882933148
Energy: 0.33391896320027553
Energy: 0.3728692882852133
Energy: 0.2862644611464627
Energy: 0.30549283314647185
Energy: 0.2862644611464627
Energy: 0.30549283314647185
Energy: 0.2862644611464627
Energy: 0.30549283314647185
Energy: 0.36201089682119136
Energy: 0.37510042513401354
Energy: 0.36201089682119136
Energy: 0.37510042513253433
Energy: 0.36201089681971227
Energy: 0.3751004251354926
Energy: 0.37141099874090766
Energy: 0.4145101504053229
Energy: 0.3714109987423867
Energy: 0.4145101503994065
Energy: 0.37141099874460537
Energy: 0.41451015041419753
Energy: 0.3226253325966201
Energy: 0.30623905054046435
Energy: 0.3226253325966201
Energy: 0.30623905053898526
Energy: 0.3226253325966201
Energy: 0.30623905054046435
Energy: 0.3625220541744881
Energy: 0.3292660513953196
Energy: 0.3625220541759673
Energy: 0.32926605242581974
Energy: 0.3625220541767068
Energy: 0.32926605169692286
Energy: 0.35518173668739417
Energy: 0.42260271597907384
Energy: 0.3551817366881338
Energy: 0.42260271597759475
Energy: 0.35518173668739417
Energy: 0.42260271597907384
Energy: 0.35062734573260096
Energy: 0.3305143024813015
Energy: 0.3506273457333405
Energy: 0.33049798248028245
Energy: 0.35062734573260096
Energy: 0.3305049042033847
Energy: 0.3476541734265718
Energy: 0.32996131511463533
Energy: 0.3476541734103353
Energy: 0.32996131559588276
Energy: 0.3476541734324882
Energy: 0.32996131506142107

minimum gb energy = 0.2862644611464627 eV
minimum distance =  2.77283177762129 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.5420084649783562
Energy: 0.5483062308678494
Energy: 0.5420084649729389
Energy: 0.5483062308673076
Energy: 0.5420084649843153
Energy: 0.5483062308667659
Energy: 0.6172602667818323
Energy: 0.49789436306197465
Energy: 0.6172602667850828
Energy: 0.4978943630614329
Energy: 0.617260266782374
Energy: 0.4978943630608912
Energy: 0.5887524393256841
Energy: 0.6866303749453263
Energy: 0.5887524393262258
Energy: 0.6866303749453263
Energy: 0.5887524393256841
Energy: 0.6866303749534525
Energy: 0.6205466058631854
Energy: 0.5105944979436505
Energy: 0.6205466058604767
Energy: 0.5105944979479844
Energy: 0.6205466058556011
Energy: 0.5105944979452757
Energy: 0.5019037152652766
Energy: 0.4520925045898707
Energy: 0.501903715276653
Energy: 0.4520925045898707
Energy: 0.5019037152674435
Energy: 0.4520925045898707
Energy: 0.5977621198302202
Energy: 0.5349857710002468
Energy: 0.5977621198318455
Energy: 0.534985770999705
Energy: 0.597762119830762
Energy: 0.5349857709991633
Energy: 0.4864159865122012
Energy: 0.6288651009359633
Energy: 0.486415986508409
Energy: 0.628865100921878
Energy: 0.48641598651111767
Energy: 0.6288651009370466
Energy: 0.5289602252010066
Energy: 0.4511804451155512
Energy: 0.5289602252010066
Energy: 0.4511804451139261
Energy: 0.5289602252004648
Energy: 0.4511804451155512
Energy: 0.48825766994936237
Energy: 0.447757777466972
Energy: 0.48825766994827885
Energy: 0.4477577774642633
Energy: 0.4882576699477371
Energy: 0.447757777466972
Energy: 0.4820896233460373
Energy: 0.6397767674890921
Energy: 0.48208962336499805
Energy: 0.6397767674901754
Energy: 0.4820896233444121
Energy: 0.6397767674901754
Energy: 0.6427092046648984
Energy: 0.6068999766649477
Energy: 0.6427092046665236
Energy: 0.6068999766654894
Energy: 0.64270920466544
Energy: 0.6068999766654894
Energy: 0.5218656420999545
Energy: 0.4623041126282526
Energy: 0.5218656420999545
Energy: 0.4623041126277109
Energy: 0.5218656420999545
Energy: 0.4623041126282526
Energy: 0.5110967493769164
Energy: 0.4978815367198666
Energy: 0.5110967493763746
Energy: 0.4978815366543657
Energy: 0.5110967493763746
Energy: 0.4978815366662839
Energy: 0.528411879504552
Energy: 0.6687264751637627
Energy: 0.5284118795029268
Energy: 0.668726475165388
Energy: 0.5284118795029268
Energy: 0.6687264751670131
Energy: 0.6152281303662193
Energy: 0.502324262797402
Energy: 0.6152281303835057
Energy: 0.5023242627968603
Energy: 0.6152281303407576
Energy: 0.502324262795235
Energy: 0.5408727529508358
Energy: 0.5449666161267581
Energy: 0.5408727529540861
Energy: 0.5449666161094225
Energy: 0.5408727529502939
Energy: 0.5449666161310427
Energy: 0.5181218093583794
Energy: 0.49391250011596594
Energy: 0.5181218093529618
Energy: 0.49391250011596594
Energy: 0.5181218093654218
Energy: 0.49391250011596594
Energy: 0.6060147588183218
Energy: 0.6837593577111744
Energy: 0.6060147588172382
Energy: 0.6837593577073823
Energy: 0.6060147588183218
Energy: 0.6837593577127996
Energy: 0.599528854516846
Energy: 0.5263561204000231
Energy: 0.5995288545363486
Energy: 0.5263561203973145
Energy: 0.5995288545233469
Energy: 0.5263561204027319
Energy: 0.5178392671627852
Energy: 0.4978712735434904
Energy: 0.5178392671627852
Energy: 0.49787127354403216
Energy: 0.5178392671627852
Energy: 0.4978712735429487
Energy: 0.4792846371599687
Energy: 0.5266737765327507
Energy: 0.4792846371599687
Energy: 0.526673776532209
Energy: 0.47928463715888525
Energy: 0.5266737765332925
Energy: 0.5742723235275543
Energy: 0.6109323711520573
Energy: 0.5742723235215951
Energy: 0.6109323711520573
Energy: 0.5742723235151436
Energy: 0.6109323711515158
Energy: 0.5313745617119171
Energy: 0.5741517689821093
Energy: 0.5313745617124589
Energy: 0.5741517689815675
Energy: 0.5313745617119171
Energy: 0.574151768982651
Energy: 0.52406166568878
Energy: 0.4752525593237478
Energy: 0.52406166568878
Energy: 0.4752525593242896
Energy: 0.5240616656893219
Energy: 0.4752525593253731
Energy: 0.4736010592138105
Energy: 0.6263206919745984
Energy: 0.4736010592186861
Energy: 0.6263206919805575
Energy: 0.47360105921272705
Energy: 0.6263206919886835
Energy: 0.7135491669941911
Energy: 0.6111276564239426
Energy: 0.7135491670017753
Energy: 0.6111276564244843
Energy: 0.7135491669952746
Energy: 0.6111276564244843

minimum gb energy = 0.4477577774642633 eV
minimum distance =  2.61004375619357 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.5908953087067217
Energy: 0.4797679520889074
Energy: 0.5908953087075757
Energy: 0.4797679526569671
Energy: 0.5908953087084297
Energy: 0.47976795216446366
Energy: 0.6140522532101427
Energy: 0.5458488245704551
Energy: 0.6140522532075807
Energy: 0.5458488245717361
Energy: 0.6140522532084347
Energy: 0.5458488245653315
Energy: 0.6513009277963
Energy: 0.7471581010332586
Energy: 0.6513009277963
Energy: 0.7471581010345396
Energy: 0.6513009277958731
Energy: 0.7471581010332586
Energy: 0.5763336546202006
Energy: 0.48369403132461575
Energy: 0.5763336546155037
Energy: 0.48369403132418876
Energy: 0.5763336546146497
Energy: 0.48369403132717764
Energy: 0.4616569952145073
Energy: 0.4935492256044287
Energy: 0.46165699521493436
Energy: 0.49354922560741754
Energy: 0.46165699521493436
Energy: 0.49354922560741754
Energy: 0.6738810898930828
Energy: 0.5999264209447923
Energy: 0.6738810898930828
Energy: 0.5999264209447923
Energy: 0.6738810898926558
Energy: 0.5999264209447923
Energy: 0.5218525757236312
Energy: 0.6169018477203972
Energy: 0.5218525750753378
Energy: 0.6169018477139926
Energy: 0.521852573867078
Energy: 0.6169018477408729
Energy: 0.48931721242301346
Energy: 0.48917341664026953
Energy: 0.48931721242301346
Energy: 0.4891734166232096
Energy: 0.48931721242386744
Energy: 0.4891734166048495
Energy: 0.48222734936938466
Energy: 0.48343818584548043
Energy: 0.48222734936981165
Energy: 0.4834381858514582
Energy: 0.48222734936895767
Energy: 0.4834381858506042
Energy: 0.6026580072487481
Energy: 0.6523339118926809
Energy: 0.6026580072436437
Energy: 0.6523339118939618
Energy: 0.6026580072453517
Energy: 0.6523339118948158
Energy: 0.5623454263574713
Energy: 0.6308810643757123
Energy: 0.5623449080505727
Energy: 0.6308810643761393
Energy: 0.5623454139088138
Energy: 0.6308810643804091
Energy: 0.4858759592581793
Energy: 0.5142089571399874
Energy: 0.4858759592581793
Energy: 0.5142089571404143
Energy: 0.4858759592586063
Energy: 0.5142089571404143
Energy: 0.49305069762411124
Energy: 0.4869397083897377
Energy: 0.49305069762411124
Energy: 0.48693970839016465
Energy: 0.4930506976245383
Energy: 0.4869397083897377
Energy: 0.5265963496992041
Energy: 0.6426851550214542
Energy: 0.5265963496987771
Energy: 0.6426851549941467
Energy: 0.5265963496992041
Energy: 0.642685155024443
Energy: 0.7001629218892829
Energy: 0.6003235268965826
Energy: 0.700162921888002
Energy: 0.6003235268965826
Energy: 0.7001629218892829
Energy: 0.6003235268965826
Energy: 0.4641906096696346
Energy: 0.5349998889641786
Energy: 0.4641906096696346
Energy: 0.5349998889680214
Energy: 0.4641906096713425
Energy: 0.5349998889616168
Energy: 0.5231023647529408
Energy: 0.46564691419265625
Energy: 0.5231023647537948
Energy: 0.46564691419265625
Energy: 0.5231023647529408
Energy: 0.4656469141918023
Energy: 0.5796059849951496
Energy: 0.754572791205163
Energy: 0.5796059849955766
Energy: 0.7545727912038819
Energy: 0.5796059849951496
Energy: 0.7545727912008932
Energy: 0.641608947265863
Energy: 0.5452322315825827
Energy: 0.6416089473499395
Energy: 0.5452322315825827
Energy: 0.6416089472598853
Energy: 0.5452322315825827
Energy: 0.5611420929324532
Energy: 0.5538949075985463
Energy: 0.5611420929328802
Energy: 0.5538949075985463
Energy: 0.5611420929320263
Energy: 0.5538949075985463
Energy: 0.49021361089633664
Energy: 0.5635837110010345
Energy: 0.49021361089676363
Energy: 0.5635837110010345
Energy: 0.49021361089633664
Energy: 0.5635837110010345
Energy: 0.6721876207379123
Energy: 0.7308285001060553
Energy: 0.6721876207379123
Energy: 0.7308285001069093
Energy: 0.6721876207379123
Energy: 0.7308285000975155
Energy: 0.5750393917803147
Energy: 0.5039885701730885
Energy: 0.5750393917768989
Energy: 0.5039885701607061
Energy: 0.5750393917768989
Energy: 0.5039885701718075
Energy: 0.46727303203091214
Energy: 0.5528666866834486
Energy: 0.46727378697032873
Energy: 0.5528666866834486
Energy: 0.4672716827849639
Energy: 0.5528666866834486
Energy: 0.4775919087901604
Energy: 0.5469016745373126
Energy: 0.4775919087888795
Energy: 0.5469016745420094
Energy: 0.47759190878930646
Energy: 0.5469016745385935
Energy: 0.5205356763776127
Energy: 0.6274884058884924
Energy: 0.5205356763776127
Energy: 0.6274884058927622
Energy: 0.520535676370354
Energy: 0.6274884058957512
Energy: 0.5115647724778826
Energy: 0.49394610929123167
Energy: 0.5115647724783096
Energy: 0.49394610912862946
Energy: 0.5115647724783096
Energy: 0.49394610921612175
Energy: 0.48744591866333514
Energy: 0.5330185765573515
Energy: 0.4874459186629082
Energy: 0.5330185761873141
Energy: 0.4874459186629082
Energy: 0.5330185760755032
Energy: 0.5878889162705977
Energy: 0.555999630375757
Energy: 0.5878889162701707
Energy: 0.55599963037533
Energy: 0.5878889162697437
Energy: 0.555999630375757
Energy: 0.7201452724806593
Energy: 0.6148533794604379
Energy: 0.7201452724823673
Energy: 0.6148533794617189
Energy: 0.7201452724798053
Energy: 0.6148533794621459
Energy: 0.5233199586901213
Energy: 0.5157639389628115
Energy: 0.5233199586905481
Energy: 0.5157639389235487
Energy: 0.5233199586901213
Energy: 0.5157639389474402
Energy: 0.4962207610570864
Energy: 0.4719990930028436
Energy: 0.49622076105665947
Energy: 0.4719990930028436
Energy: 0.4962207610570864
Energy: 0.4719990930028436
Energy: 0.49390641209731106
Energy: 0.5523854101612462
Energy: 0.4939064120977381
Energy: 0.5523854101603923
Energy: 0.4939064120977381
Energy: 0.5523854101612462

minimum gb energy = 0.4616569952145073 eV
minimum distance =  2.61088160690865 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.5262146037221912
Energy: 0.5327675991689405
Energy: 0.5262146037182955
Energy: 0.5327675991689405
Energy: 0.5262146037215919
Energy: 0.5327675991689405
Energy: 0.6584098735144966
Energy: 0.48567129136351495
Energy: 0.658409873463282
Energy: 0.48567129136381454
Energy: 0.6584098734896521
Energy: 0.48567129136351495
Energy: 0.7080510462450217
Energy: 0.8287745839033308
Energy: 0.7080510462450217
Energy: 0.828774583903031
Energy: 0.7080510462453213
Energy: 0.8287745839045293
Energy: 0.6428882907092451
Energy: 0.5190192022135715
Energy: 0.6428882907095448
Energy: 0.5190192022108745
Energy: 0.6428882907089455
Energy: 0.5190192022126725
Energy: 0.48936930693509634
Energy: 0.6400014155395115
Energy: 0.48936930693389774
Energy: 0.6400014155248284
Energy: 0.48936930693509634
Energy: 0.64000141554101
Energy: 0.6116920104199488
Energy: 0.5581531660269083
Energy: 0.6116920104097603
Energy: 0.5581531660275076
Energy: 0.6116920104187502
Energy: 0.5581531660272081
Energy: 0.5516434875843512
Energy: 0.6979416971913748
Energy: 0.5516434875750619
Energy: 0.697941697207856
Energy: 0.5516434875756612
Energy: 0.6979416971988663
Energy: 0.5812605426988992
Energy: 0.635249585877459
Energy: 0.5812605426878389
Energy: 0.6352495858780585
Energy: 0.5812605426950307
Energy: 0.635249585877459
Energy: 0.6672448886494808
Energy: 0.5169184002036858
Energy: 0.6672448886488815
Energy: 0.5169184002036858
Energy: 0.6672448886491813
Energy: 0.5169184002030865
Energy: 0.758859868871637
Energy: 0.5220629592287062
Energy: 0.7588598686029512
Energy: 0.5220629592287062
Energy: 0.7588598688752329
Energy: 0.5220629592287062
Energy: 0.6115819239187124
Energy: 0.6362242522911442
Energy: 0.6115819239184128
Energy: 0.6362242522857775
Energy: 0.6115819239190121
Energy: 0.6362242522884745
Energy: 0.6291687398792335
Energy: 0.5220014666567873
Energy: 0.6291687398789338
Energy: 0.5220014666567873
Energy: 0.6291687398789338
Energy: 0.5220014666564875
Energy: 0.5083611657177086
Energy: 0.6639764812155675
Energy: 0.5083611657120151
Energy: 0.6639764812161669
Energy: 0.5083611657159106
Energy: 0.6639764812155675
Energy: 0.6023284012799996
Energy: 0.5729263142794147
Energy: 0.6023284012940563
Energy: 0.5729263142656575
Energy: 0.6023284012653163
Energy: 0.5729263143006904
Energy: 0.5896341881786001
Energy: 0.6196070717653298
Energy: 0.5896341881720076
Energy: 0.619607071765929
Energy: 0.5896341881777012
Energy: 0.6196070717647304
Energy: 0.5436832361273055
Energy: 0.6222223350392752
Energy: 0.5436832361270059
Energy: 0.6222223350239926
Energy: 0.5436832361273055
Energy: 0.6222223350311844
Energy: 0.6387358035749017
Energy: 0.5031618237499405
Energy: 0.6387358035746019
Energy: 0.5031618237499405
Energy: 0.6387358035746019
Energy: 0.5031618237502128
Energy: 0.523134575096878
Energy: 0.5456085861454165
Energy: 0.5231345750971776
Energy: 0.5456008671351599
Energy: 0.5231345750971776
Energy: 0.5456374468134234
Energy: 0.7767572231095993
Energy: 0.6289206248102445
Energy: 0.7767572231060033
Energy: 0.6289206248084465
Energy: 0.7767572231167639
Energy: 0.6289206248144398
Energy: 0.650243424064707
Energy: 0.5212368604349834
Energy: 0.650243424065606
Energy: 0.5212368604349834
Energy: 0.6502434240653063
Energy: 0.5212368604349834
Energy: 0.5157972402753278
Energy: 0.5065530795420485
Energy: 0.5157972402756275
Energy: 0.5065530795399509
Energy: 0.5157972402750282
Energy: 0.5065530795453448
Energy: 0.4826130659469687
Energy: 0.7136665742958822
Energy: 0.4826130659463694
Energy: 0.7136665742958822
Energy: 0.48261306594666903
Energy: 0.713666574296182
Energy: 0.7497078145783651
Energy: 0.5843497123544743
Energy: 0.7497078145732708
Energy: 0.5843497123538749
Energy: 0.7497078145810621
Energy: 0.5843497123553731
Energy: 0.5034966835428338
Energy: 0.6428549828635398
Energy: 0.5034966835455308
Energy: 0.6428549828632402
Energy: 0.5034966835455308
Energy: 0.6428549828632402
Energy: 0.677725722113435
Energy: 0.5008992939188277
Energy: 0.6777257221137347
Energy: 0.5008992939185279
Energy: 0.677725722113435
Energy: 0.5008992939185279
Energy: 0.5542646906651462
Energy: 0.6870637471292129
Energy: 0.554264690667843
Energy: 0.6870637471268157
Energy: 0.5542646907244514
Energy: 0.6870637471271155
Energy: 0.6503546704758567
Energy: 0.5696868851056739
Energy: 0.6503546530982358
Energy: 0.5696868851077715
Energy: 0.6503546677636639
Energy: 0.5696868851068726
Energy: 0.5083452964308557
Energy: 0.5180420224689688
Energy: 0.508345296216381
Energy: 0.5180420224692684
Energy: 0.5083452964338523
Energy: 0.5180420224689688
Energy: 0.5111948373062088
Energy: 0.6368822142843412
Energy: 0.5111948373062088
Energy: 0.6368822142726546
Energy: 0.5111948373065085
Energy: 0.6368822142753514
Energy: 0.4903764712323648
Energy: 0.7730923186449157
Energy: 0.49037647123985617
Energy: 0.7730923186461144
Energy: 0.4903764712458493
Energy: 0.7730923186446432
Energy: 0.6455756748863274
Energy: 0.5347873215423523
Energy: 0.6455756748860279
Energy: 0.5347873215504432
Energy: 0.6455756748869268
Energy: 0.5347873215426521
Energy: 0.5037139407824788
Energy: 0.6249666617396317
Energy: 0.5037139407827784
Energy: 0.6249666617414297
Energy: 0.5037139407824788
Energy: 0.6249666617366351
Energy: 0.635108270411756
Energy: 0.513716584152787
Energy: 0.635108270413554
Energy: 0.5137165841491911
Energy: 0.635108270414453
Energy: 0.5137165841524873
Energy: 0.606897567943983
Energy: 0.5903180551610219
Energy: 0.6068975679559422
Energy: 0.5903180551799005
Energy: 0.6068975679382895
Energy: 0.5903180551634192
Energy: 0.6146961491243556
Energy: 0.6039389770328139
Energy: 0.6146961491252545
Energy: 0.6039389770313156
Energy: 0.6146961491255543
Energy: 0.6039389770379082
Energy: 0.6358529441524227
Energy: 0.5198034090475728
Energy: 0.635852944152123
Energy: 0.5198034090475728
Energy: 0.6358529441524227
Energy: 0.5198034090475728
Energy: 0.49086750450168026
Energy: 0.6255006970630691
Energy: 0.4908675044950878
Energy: 0.6255006970588738
Energy: 0.49086750450407757
Energy: 0.6255006970627695
Energy: 0.5366695162574756
Energy: 0.5331591378297523
Energy: 0.5366695126023626
Energy: 0.533159137820463
Energy: 0.5366695163880727
Energy: 0.5331591378246582
Energy: 0.5293824341864618
Energy: 0.630178905778408
Energy: 0.5293824341858625
Energy: 0.6301789169097312
Energy: 0.5293824341861622
Energy: 0.6301789056289595
Energy: 0.5126630360408513
Energy: 0.6549109898126302
Energy: 0.5126630360405516
Energy: 0.6549109898120309
Energy: 0.5126630360405516
Energy: 0.6549109898123305
Energy: 0.5147925261838329
Energy: 0.5096185912897527
Energy: 0.514792526171247
Energy: 0.5096185913038368
Energy: 0.5147925261757421
Energy: 0.5096185912918504
Energy: 0.6773912232408096
Energy: 0.583288229297627
Energy: 0.6773912234037699
Energy: 0.583288229297627
Energy: 0.6773912232851591
Energy: 0.583288229297627
Energy: 0.5681100800824095
Energy: 0.6748827105544833
Energy: 0.5681100800824095
Energy: 0.6748827105395003
Energy: 0.5681100800839077
Energy: 0.6748827105604766
Energy: 0.6868738776567392
Energy: 0.48483071166279074
Energy: 0.6868738776564396
Energy: 0.4848307116765751
Energy: 0.6868738776567392
Energy: 0.48483071166398944
Energy: 0.5179799069142816
Energy: 0.6298244767520751
Energy: 0.517979906913982
Energy: 0.6298244767502772
Energy: 0.517979906913982
Energy: 0.6298244767520751
Energy: 0.7616846769480339
Energy: 0.595273029327996
Energy: 0.7616846769489329
Energy: 0.595273029327097
Energy: 0.7616846769483336
Energy: 0.5952730293276963
Energy: 0.48705944282827707
Energy: 0.6788340883601284
Energy: 0.4870594428285767
Energy: 0.6788340883598288
Energy: 0.4870594428285767
Energy: 0.678834088360428

minimum gb energy = 0.4826130659463694 eV
minimum distance =  2.6413794171744 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.5369871172868811
Energy: 0.5296713006140946
Energy: 0.5369871172870858
Energy: 0.5296713006138899
Energy: 0.5369871172864714
Energy: 0.5296713006136851
Energy: 0.41645007848167037
Energy: 0.44559288261364755
Energy: 0.41645007848567583
Energy: 0.44559288261446683
Energy: 0.4164500784790532
Energy: 0.4455928826152633
Energy: 0.6846595438127189
Energy: 0.8528772591959408
Energy: 0.6846595438147215
Energy: 0.8528772591959408
Energy: 0.6846595438131285
Energy: 0.8528772591959408
Energy: 0.41528363678138347
Energy: 0.4307335519312808
Energy: 0.4152836367805869
Energy: 0.43073355193087115
Energy: 0.4152836367787662
Energy: 0.4307335519312808
Energy: 0.5369871172850832
Energy: 0.5296713006134802
Energy: 0.5369871172872906
Energy: 0.5296713006136851
Energy: 0.5369871172866763
Energy: 0.5296713006136851
Energy: 0.41645007847866633
Energy: 0.445592882614262
Energy: 0.4164500784846744
Energy: 0.44559288261446683
Energy: 0.4164500784834683
Energy: 0.44559288261585506
Energy: 0.6846595438169291
Energy: 0.8528772591963505
Energy: 0.6846595438179305
Energy: 0.8528772591965325
Energy: 0.6846595438163373
Energy: 0.8528772591965325

minimum gb energy = 0.4152836367787662 eV
minimum distance =  2.69264503801305 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: 0.6048863198037465
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Energy: 0.7086546066994625
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Energy: 0.6392499500866059
Energy: 0.5947178062711604
Energy: 0.6392499500871509
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Energy: 0.5827519134274828
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Energy: 0.5910475935152346
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Energy: 0.6205029233982533
Energy: 0.5409595829684993
Energy: 0.6205029670532549
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Energy: 0.6438195607754613
Energy: 0.5678842007371377
Energy: 0.643819561391144
Energy: 0.5678842007322321
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Energy: 0.6265675682603985
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Energy: 0.6265675682598534
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Energy: 0.549703350022431
Energy: 0.7322381110869932
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Energy: 0.545359399881331
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Energy: 0.6707244424121841
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Energy: 0.6054188050567172
Energy: 0.6320042121061638
Energy: 0.6054188050564695
Energy: 0.6320042121053708
Energy: 0.5839709735434622
Energy: 0.6143868323668278
Energy: 0.5839709735230468
Energy: 0.6143868323665801
Energy: 0.5839709735426695
Energy: 0.6143868323662828
Energy: 0.7274230639119156
Energy: 0.5410550071605387
Energy: 0.7274230639119156
Energy: 0.5410550071864046
Energy: 0.7274230639078029
Energy: 0.5410550071869498
Energy: 0.5674070872835636
Energy: 0.6815945942219342
Energy: 0.5674070872830184
Energy: 0.6815945942099427
Energy: 0.5674070872833158
Energy: 0.6815945942219342
Energy: 0.620376066330032
Energy: 0.575988245361441
Energy: 0.6203760663294869
Energy: 0.5759882453617383
Energy: 0.6203760663297347
Energy: 0.575988245361986
Energy: 0.6429432870585493
Energy: 0.599688226865588
Energy: 0.642943287061572
Energy: 0.599688226865043
Energy: 0.6429432870580044
Energy: 0.599688226865043
Energy: 0.677144263554802
Energy: 0.5101212050578103
Energy: 0.6771442635526217
Energy: 0.5101212050324399
Energy: 0.6771442635564372
Energy: 0.5101212050662343
Energy: 0.5352502086013464
Energy: 0.7073478953813326
Energy: 0.5352502086013464
Energy: 0.7073478953813326
Energy: 0.5352502086013464
Energy: 0.7073478953789046
Energy: 0.6278292008426185
Energy: 0.5888114773954845
Energy: 0.6278292008434608
Energy: 0.5888114773951874
Energy: 0.6278292008429158
Energy: 0.5888114773949394
Energy: 0.587499301267155
Energy: 0.5772706480383151
Energy: 0.5874993012669072
Energy: 0.5772706480391574
Energy: 0.587499301267155
Energy: 0.57727064803777
Energy: 0.6014924183054124
Energy: 0.6524457947280211
Energy: 0.601492416083603
Energy: 0.6524457947236605
Energy: 0.6014924229996649
Energy: 0.6524457947236605
Energy: 0.5471906887339698
Energy: 0.6545278097639842
Energy: 0.5471906887328797
Energy: 0.6545278132584852
Energy: 0.5471906887317894
Energy: 0.6545278128490872

minimum gb energy = 0.5101212050324399 eV
minimum distance =  2.52611990897801 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.6135424495024816
Energy: 0.602851884484284
Energy: 0.6135424495028555
Energy: 0.6028518844846582
Energy: 0.6135424495028555
Energy: 0.6028518844846582
Energy: 0.5737382633835387
Energy: 0.5933613933540508
Energy: 0.5737382633771799
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Energy: 0.5987690249614028
Energy: 0.6813969997028413
Energy: 0.598769024961777
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Energy: 0.598769024961777
Energy: 0.6813969997024673
Energy: 0.5632566804002966
Energy: 0.5593335228771892
Energy: 0.5632566803984264
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Energy: 0.5632566803984264
Energy: 0.5593335229029986
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Energy: 0.6400944982963668
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Energy: 0.6400944982982371
Energy: 0.6219020188582745
Energy: 0.554040252041343
Energy: 0.5372393489949995
Energy: 0.5540402520417169
Energy: 0.5372393489946254
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Energy: 0.5372393489953735
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Energy: 0.6449695470662188
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Energy: 0.6449695470658446
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Energy: 0.5741167241345224
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Energy: 0.619408021261999
Energy: 0.6184896099972522
Energy: 0.619408021262373
Energy: 0.6184896099983743
Energy: 0.5470058005564951
Energy: 0.692769839331937
Energy: 0.5470058005535026
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Energy: 0.6883515865320788
Energy: 0.61307299154083
Energy: 0.6883515862441612
Energy: 0.613072991541204
Energy: 0.6883515870360625
Energy: 0.61307299154083
Energy: 0.6284418818082427
Energy: 0.5675074780347169
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Energy: 0.5675074780373353
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Energy: 0.56750747804145
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Energy: 0.5742209577494852
Energy: 0.5745464252589013
Energy: 0.5742209577502334
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Energy: 0.5520480101158489
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Energy: 0.5921210412446924
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Energy: 0.621356412971101
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Energy: 0.6207721602845789
Energy: 0.621356412970727
Energy: 0.5820304989478104
Energy: 0.5957919267797713
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Energy: 0.5957919267752827
Energy: 0.5820304989481845
Energy: 0.5957919267793972
Energy: 0.6375464860679425
Energy: 0.6202458257971041
Energy: 0.6375464860724311
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Energy: 0.6375464860679425
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Energy: 0.5468246916824011
Energy: 0.6021694395597955
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Energy: 0.5800159671853492
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Energy: 0.591263327441265
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Energy: 0.591263327441639
Energy: 0.5863479417387071
Energy: 0.5912633274393947
Energy: 0.6892320838094462
Energy: 0.6531032135422029
Energy: 0.689232083815805
Energy: 0.6531032135422029
Energy: 0.6892320838128128
Energy: 0.6531032135422029
Energy: 0.5651148537553659
Energy: 0.5604604958857616
Energy: 0.5651148537553659
Energy: 0.5604604958745402
Energy: 0.56511485375574
Energy: 0.5604604958790288
Energy: 0.5679750051887137
Energy: 0.5683027080790477
Energy: 0.5679750051883398
Energy: 0.5683027080786737
Energy: 0.5679750051887137
Energy: 0.5683027080883991
Energy: 0.6054272196194981
Energy: 0.6101043934782612
Energy: 0.6054272196168797
Energy: 0.6101043934782612
Energy: 0.6054272196202461
Energy: 0.6101043934786351
Energy: 0.681702626526299
Energy: 0.528209189453136
Energy: 0.6817026265206882
Energy: 0.5282091894632355
Energy: 0.6817026265244288
Energy: 0.5282091894658537
Energy: 0.5554924134304877
Energy: 0.6960909885399241
Energy: 0.5554924134346023
Energy: 0.6960909885350615
Energy: 0.5554924134353504
Energy: 0.696090988531321
Energy: 0.6171968189109792
Energy: 0.6185891773605648
Energy: 0.6171968189109792
Energy: 0.6185891773676718
Energy: 0.6171968189109792
Energy: 0.6185891773613129
Energy: 0.5796833697747614
Energy: 0.5700670094129563
Energy: 0.5796833697747614
Energy: 0.5700670094137044
Energy: 0.5796833697747614
Energy: 0.5700670094133303
Energy: 0.638516638994929
Energy: 0.6106521936669838
Energy: 0.6385166389953031
Energy: 0.6106521936669838
Energy: 0.6385166389956772
Energy: 0.6106521936658615
Energy: 0.547241636389124
Energy: 0.7315961030554616
Energy: 0.547241636389124
Energy: 0.7315958819784084
Energy: 0.5472416363887501
Energy: 0.7315960430079356
Energy: 0.5923767285897619
Energy: 0.578669061995823
Energy: 0.5923767285897619
Energy: 0.5786690619860977
Energy: 0.592376728590136
Energy: 0.5786690619902123
Energy: 0.6201321629374295
Energy: 0.6462072105666526
Energy: 0.6201321629366814
Energy: 0.6462072105666526
Energy: 0.6201321629370553
Energy: 0.6462072105662786
Energy: 0.5619871487021325
Energy: 0.6396398526563524
Energy: 0.5619871487006363
Energy: 0.6396398526563524
Energy: 0.5619871486927812
Energy: 0.6396398526559783

minimum gb energy = 0.528209189453136 eV
minimum distance =  2.56293310906593 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.6441939219016808
Energy: 0.6043214830718556
Energy: 0.6441939219012214
Energy: 0.6043214830668016
Energy: 0.6441939219012214
Energy: 0.6043214830709367
Energy: 0.6311900033888368
Energy: 0.5595477137478998
Energy: 0.6311900033929718
Energy: 0.5595477137474403
Energy: 0.6311900033883773
Energy: 0.5595477137474403
Energy: 0.589208716579418
Energy: 0.6361522296962903
Energy: 0.5892087165789587
Energy: 0.6361522363650762
Energy: 0.589208716579418
Energy: 0.6361522249090578
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Energy: 0.5797110050560965
Energy: 0.6437235709178297
Energy: 0.579711005056556
Energy: 0.6437235709169108
Energy: 0.579711005056556
Energy: 0.6053553554500877
Energy: 0.5984933463117834
Energy: 0.6053553554482498
Energy: 0.5984933463122428
Energy: 0.6053553554491687
Energy: 0.5984933463122428
Energy: 0.558415082986882
Energy: 0.6057611568111453
Energy: 0.5584150829882605
Energy: 0.6057611568120643
Energy: 0.558415082986882
Energy: 0.6057611568116048
Energy: 0.6018052113028535
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Energy: 0.6018052112830968
Energy: 0.6601648321758048
Energy: 0.6018052113414268
Energy: 0.6601648321643393
Energy: 0.5916524864208362
Energy: 0.5522762337880334
Energy: 0.591652486422674
Energy: 0.5522762337861956
Energy: 0.5916524864189984
Energy: 0.5522762337907902
Energy: 0.6189551925252044
Energy: 0.6016418536338243
Energy: 0.6189551925252044
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Energy: 0.6189551925252044
Energy: 0.6016418536338243
Energy: 0.5562292790868512
Energy: 0.6258360498285236
Energy: 0.5562292790868512
Energy: 0.6258360498257668
Energy: 0.5562292790868512
Energy: 0.625836049824848
Energy: 0.6516287691533887
Energy: 0.612339729828613
Energy: 0.6516287691483348
Energy: 0.612339729828613
Energy: 0.6516287691483348
Energy: 0.612339729828613
Energy: 0.5905476262213579
Energy: 0.5940998017239404
Energy: 0.5905476262204391
Energy: 0.5940998017211838
Energy: 0.5905476262213579
Energy: 0.5940998017239404
Energy: 0.6034112320601471
Energy: 0.6108062198444218
Energy: 0.6034112320601471
Energy: 0.6108062198563676
Energy: 0.6034112320601471
Energy: 0.6108062198398272
Energy: 0.5437990817894358
Energy: 0.6721227283946345
Energy: 0.5437990817894358
Energy: 0.6721227310739067
Energy: 0.5437990817894358
Energy: 0.6721227286104741
Energy: 0.6192792195634821
Energy: 0.5626920102726843
Energy: 0.6192792195010378
Energy: 0.5626920102722249
Energy: 0.6192792195630226
Energy: 0.5626920102722249
Energy: 0.5901993779890571
Energy: 0.6066142593632797
Energy: 0.5901993779881382
Energy: 0.6066142593632797
Energy: 0.5901993779895165
Energy: 0.6066142593632797
Energy: 0.5855655317716633
Energy: 0.5899600676484852
Energy: 0.5855655304733676
Energy: 0.5899600676489446
Energy: 0.5855655317771766
Energy: 0.5899600676480257
Energy: 0.7077757692625092
Energy: 0.5842502074310582
Energy: 0.7077757692634282
Energy: 0.5842502074301392
Energy: 0.7077757692629687
Energy: 0.5842502074292203
Energy: 0.6087526660412121
Energy: 0.5620577131123146
Energy: 0.6087526718103218
Energy: 0.5620577131081794
Energy: 0.6087526649537022
Energy: 0.562057713108639
Energy: 0.5932531773601475
Energy: 0.5833924088823215
Energy: 0.5932531773587691
Energy: 0.5833924088772674
Energy: 0.5932531773601475
Energy: 0.583392408881862
Energy: 0.5897829856502262
Energy: 0.628641977429266
Energy: 0.5897829856502262
Energy: 0.628641977429266
Energy: 0.5897829856502262
Energy: 0.628641977429266
Energy: 0.6445458622619049
Energy: 0.5568433707507706
Energy: 0.6445458622577908
Energy: 0.5568433707507706
Energy: 0.64454586226604
Energy: 0.55684337075123
Energy: 0.5460540483954415
Energy: 0.632730581493129
Energy: 0.5460540483954415
Energy: 0.6327305814968046
Energy: 0.546054048394982
Energy: 0.632730581498183
Energy: 0.5902751790697739
Energy: 0.605697137337449
Energy: 0.5902751790638009
Energy: 0.6056971372947406
Energy: 0.5902751790766657
Energy: 0.6056971374067851
Energy: 0.5888525963365174
Energy: 0.5900582419402751
Energy: 0.5888525963323824
Energy: 0.5900582419379778
Energy: 0.5888525963355986
Energy: 0.5900582419361401
Energy: 0.6682054883928056
Energy: 0.5968275253620395
Energy: 0.6682054883767246
Energy: 0.5968275253620395
Energy: 0.6682054883376918
Energy: 0.5968275253620395
Energy: 0.5574532023330135
Energy: 0.6207501057218183
Energy: 0.557453202332554
Energy: 0.6207501057218183
Energy: 0.5574532023330135
Energy: 0.6207501057213589
Energy: 0.6090161080702252
Energy: 0.6081733868708332
Energy: 0.6090161080702252
Energy: 0.6081733868708332
Energy: 0.6090161080697657
Energy: 0.6081733868708332
Energy: 0.5972351510017212
Energy: 0.5417563938717075
Energy: 0.5972351511353601
Energy: 0.5417563938717075
Energy: 0.5972351510407541
Energy: 0.5417563938717075
Energy: 0.6541752829506817
Energy: 0.7093091218298969
Energy: 0.6541752829584925
Energy: 0.7093091218303564
Energy: 0.6541752829534384
Energy: 0.7093091218298969
Energy: 0.5614391165746184
Energy: 0.6032994204709807
Energy: 0.5614391165796723
Energy: 0.6032994204705213
Energy: 0.5614391165746184
Energy: 0.6032994204494073

minimum gb energy = 0.5417563938717075 eV
minimum distance =  2.51106898678289 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.6018760533731103
Energy: 0.5607678753954392
Energy: 0.6018760533725155
Energy: 0.5607678753948442
Energy: 0.6018760533725155
Energy: 0.5607678753954392
Energy: 0.5853125372978636
Energy: 0.5500393451540974
Energy: 0.5853125372978636
Energy: 0.5500393450958246
Energy: 0.5853125372984584
Energy: 0.5500393452272425
Energy: 0.556188833335159
Energy: 0.6150684229213315
Energy: 0.5561888333345641
Energy: 0.6150689120741241
Energy: 0.556188833335159
Energy: 0.615070370442377
Energy: 0.7184877459120681
Energy: 0.5865370008335757
Energy: 0.7184877459108784
Energy: 0.5865370008335757
Energy: 0.7184877459120681
Energy: 0.5865370008341706
Energy: 0.6746587226368759
Energy: 0.5812979586713453
Energy: 0.6746587226350912
Energy: 0.5812979586719402
Energy: 0.6746587226380657
Energy: 0.5812979586713453
Energy: 0.5723057904360813
Energy: 0.587171302642272
Energy: 0.5723057904360813
Energy: 0.5871713027980536
Energy: 0.5723057904360813
Energy: 0.5871713049107741
Energy: 0.6444231014443899
Energy: 0.62127897487495
Energy: 0.6444231014443899
Energy: 0.6212789748761398
Energy: 0.6444231014443899
Energy: 0.6212789748707858
Energy: 0.5861734825194783
Energy: 0.5473118292692726
Energy: 0.5861734824998738
Energy: 0.5473118292692726
Energy: 0.5861734824998738
Energy: 0.5473118292657032
Energy: 0.6443016490661789
Energy: 0.5729311524842743
Energy: 0.6443016490679636
Energy: 0.572931152484869
Energy: 0.644301649064989
Energy: 0.5729311524842743
Energy: 0.4955987018818323
Energy: 0.538477396670568
Energy: 0.4955987018871863
Energy: 0.5384773982011283
Energy: 0.4955987018883761
Energy: 0.5384773969530087
Energy: 0.5854412974946601
Energy: 0.6190892844271961
Energy: 0.5854412974916856
Energy: 0.6190892844271961
Energy: 0.5854412974976346
Energy: 0.6190892844271961
Energy: 0.6674859246351146
Energy: 0.5786764133586659
Energy: 0.6674859246345196
Energy: 0.5786764133562864
Energy: 0.6674859246339248
Energy: 0.5786764133586659
Energy: 0.5415843431442571
Energy: 0.5752907015237005
Energy: 0.5415843431436621
Energy: 0.575290701515372
Energy: 0.5415843431412826
Energy: 0.5752907015284326
Energy: 0.6452650896052398
Energy: 0.551437224358631
Energy: 0.6452650896052398
Energy: 0.551437224358631
Energy: 0.6452650896058346
Energy: 0.5514372243580361
Energy: 0.6771109952623188
Energy: 0.5383907399359691
Energy: 0.6771109952623188
Energy: 0.5383907399323997
Energy: 0.6771109952623188
Energy: 0.5383907399282354
Energy: 0.6553847358249099
Energy: 0.5808668863991101
Energy: 0.6553847358237201
Energy: 0.580866886399705
Energy: 0.6553847358207456
Energy: 0.5808668863991101
Energy: 0.5206262475776865
Energy: 0.5709750000969621
Energy: 0.5206262475776865
Energy: 0.5709750000910132
Energy: 0.5206262475776865
Energy: 0.570975000514985
Energy: 0.5763033029071084
Energy: 0.6262891361781825
Energy: 0.5763033029071084
Energy: 0.6262891361746131
Energy: 0.5763033029053237
Energy: 0.6262891361740182
Energy: 0.5273163952810501
Energy: 0.5768926191766817
Energy: 0.5273163952822398
Energy: 0.576892619180251
Energy: 0.5273163952810501
Energy: 0.5768926191766817
Energy: 0.6604696567027549
Energy: 0.5838771172875653
Energy: 0.6604696567027549
Energy: 0.5838771172875653
Energy: 0.66046965670216
Energy: 0.5838771172875653
Energy: 0.6701935522238436
Energy: 0.5372721786148099
Energy: 0.6701935522232487
Energy: 0.5372721786142151
Energy: 0.6701935522232487
Energy: 0.5372721786142151
Energy: 0.6379711690189837
Energy: 0.6807003555926625
Energy: 0.6379711690201735
Energy: 0.6807003555926625
Energy: 0.6379711690183888
Energy: 0.6807003555920678
Energy: 0.5416399634321591
Energy: 0.5860925290158008
Energy: 0.5416399634327539
Energy: 0.5860925290158008
Energy: 0.5416399634315643
Energy: 0.5860925290152057
Energy: 0.6518434710041566
Energy: 0.5860944008484812
Energy: 0.6518434710041566
Energy: 0.5860944008484812
Energy: 0.6518434710047517
Energy: 0.5860944008484812

minimum gb energy = 0.4955987018818323 eV
minimum distance =  2.59499108364894 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.6085554832963768
Energy: 0.5775321473093928
Energy: 0.6085555170902701
Energy: 0.5775321473085515
Energy: 0.6085554646553264
Energy: 0.5775321473085515
Energy: 0.5538806916871597
Energy: 0.60945668313993
Energy: 0.5538806916871597
Energy: 0.6094566831407713
Energy: 0.5538806916871597
Energy: 0.6094566831407713
Energy: 0.5481384142052874
Energy: 0.5701070469646659
Energy: 0.5481384142052874
Energy: 0.5701070469663484
Energy: 0.5481384142052874
Energy: 0.5701070469629832
Energy: 0.5918068810589652
Energy: 0.600916286384221
Energy: 0.5918068810589652
Energy: 0.600916286384221
Energy: 0.5918068810598065
Energy: 0.600916286384221
Energy: 0.5880145090752936
Energy: 0.6087892866390201
Energy: 0.5880145090752936
Energy: 0.6087892866373376
Energy: 0.5880145090752936
Energy: 0.6087892866373376
Energy: 0.5769849541482777
Energy: 0.6387009269108915
Energy: 0.5769849541474362
Energy: 0.6387009269092089
Energy: 0.5769849541482777
Energy: 0.6387009269075263
Energy: 0.6399648592065642
Energy: 0.5562089717713786
Energy: 0.6399648592107706
Energy: 0.5562089717713786
Energy: 0.6399648592090882
Energy: 0.5562089717713786
Energy: 0.5893480155032846
Energy: 0.5936674837447568
Energy: 0.5893480155032846
Energy: 0.5936674837447568
Energy: 0.5893480155032846
Energy: 0.5936674837447568
Energy: 0.5109026140092919
Energy: 0.5887154963648203
Energy: 0.5109026140092919
Energy: 0.5887154963648203
Energy: 0.5109026140092919
Energy: 0.5887154963648203
Energy: 0.5917054051456732
Energy: 0.5814637963377473
Energy: 0.5917054051465144
Energy: 0.5814637963377473
Energy: 0.5917054051465144
Energy: 0.5814637963377473
Energy: 0.6096116951578308
Energy: 0.5450122774995806
Energy: 0.6096116951561481
Energy: 0.5450122774953932
Energy: 0.6096116951569894
Energy: 0.5450122774987393
Energy: 0.5810572519776004
Energy: 0.5905366810641627
Energy: 0.5810572519784417
Energy: 0.5905366810641627
Energy: 0.5810572519776004
Energy: 0.5905366810650039
Energy: 0.5495738813321385
Energy: 0.5945406892669014
Energy: 0.5495738813321385
Energy: 0.5945406892669014
Energy: 0.5495738813321385
Energy: 0.5945406892669014
Energy: 0.5425079199398489
Energy: 0.5343235286561566
Energy: 0.5425079199440556
Energy: 0.5343235286561566
Energy: 0.5425079199432141
Energy: 0.5343235286561566
Energy: 0.5998391055891275
Energy: 0.5935888266539892
Energy: 0.5998391055899688
Energy: 0.5935888266565131
Energy: 0.5998391055891275
Energy: 0.5935888266439124
Energy: 0.5880491507898467
Energy: 0.6423226219180485
Energy: 0.5880491507948753
Energy: 0.6423226219180485
Energy: 0.5880491507890052
Energy: 0.6423226219180485
Energy: 0.5094158603803647
Energy: 0.5333198461449673
Energy: 0.5094158603795235
Energy: 0.5333198461449673
Energy: 0.5094158603761582
Energy: 0.5333198461458087

minimum gb energy = 0.5094158603761582 eV
minimum distance =  2.63186723306791 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.6151799580652212
Energy: 0.6197379351553204
Energy: 0.5876731167672486
Energy: 0.6197379351549955
Energy: 0.6151799580658709
Energy: 0.6197379351549955
Energy: 0.5371000872555585
Energy: 0.5805821576191443
Energy: 0.5197885912356331
Energy: 0.5805821576188194
Energy: 0.537100087254259
Energy: 0.5805821576188194
Energy: 0.5101697772747379
Energy: 0.5502730798101793
Energy: 0.5156275535220113
Energy: 0.5502730798101793
Energy: 0.5101697772766871
Energy: 0.5502730798095296
Energy: 0.5711663601561903
Energy: 0.5345266357989155
Energy: 0.5747695439326637
Energy: 0.5345266357989155
Energy: 0.5711663601581101
Energy: 0.5345266357982655
Energy: 0.6012150459902751
Energy: 0.5815725099487511
Energy: 0.601215045992549
Energy: 0.5815725099913108
Energy: 0.601215045992549
Energy: 0.5815725100169471
Energy: 0.5194110043483963
Energy: 0.5172404187882704
Energy: 0.5206231614585302
Energy: 0.5172404188213792
Energy: 0.5194110043470967
Energy: 0.5172404188447707
Energy: 0.6297765038353516
Energy: 0.5583050511353159
Energy: 0.6297765038369465
Energy: 0.5583050511359657
Energy: 0.6297765038366216
Energy: 0.5583050511353159
Energy: 0.5845607425253221
Energy: 0.5551626646920387
Energy: 0.5845607425259718
Energy: 0.5551626646900893
Energy: 0.5845607425256469
Energy: 0.5551626646920387
Energy: 0.5239329045237636
Energy: 0.5656297037600473
Energy: 0.5239329045234388
Energy: 0.5656297055954943
Energy: 0.5239329045234388
Energy: 0.5656297040243847
Energy: 0.5843566967444526
Energy: 0.5111777160763575
Energy: 0.5843566967457521
Energy: 0.5111777160770073
Energy: 0.5843566967457521
Energy: 0.5111777160773322
Energy: 0.5698695045704629
Energy: 0.5425808362096761
Energy: 0.5698695045717624
Energy: 0.5425808362109756
Energy: 0.5698695045704629
Energy: 0.5425808362103258
Energy: 0.5059546058634481
Energy: 0.5846504314933239
Energy: 0.5059546058627983
Energy: 0.5846504314942985
Energy: 0.5059546058637729
Energy: 0.5846504314946234
Energy: 0.5636107757933766
Energy: 0.5522434192270392
Energy: 0.5636107757956509
Energy: 0.5522434192257397
Energy: 0.5636107757950011
Energy: 0.552243419224765
Energy: 0.6169316189536367
Energy: 0.5292351329672192
Energy: 0.6169316189559108
Energy: 0.5292351329675441
Energy: 0.6169316189529868
Energy: 0.5292351329678691
Energy: 0.5900892469788039
Energy: 0.5847260441433909
Energy: 0.5900857227622395
Energy: 0.5847260441414417
Energy: 0.5900892469797786
Energy: 0.5847260441424162
Energy: 0.5322818323588366
Energy: 0.5217138578802369
Energy: 0.5323669414077487
Energy: 0.5217138578896586
Energy: 0.5322818323585117
Energy: 0.5217138578757181
Energy: 0.5061828037400714
Energy: 0.5026716628800778
Energy: 0.5061827542958264
Energy: 0.5026716628810524
Energy: 0.5061827836532906
Energy: 0.5026716628817022
Energy: 0.6172373491749271
Energy: 0.5577127819153127
Energy: 0.6172373491746022
Energy: 0.5577127819156376
Energy: 0.6172373491742772
Energy: 0.5577127819156376
Energy: 0.5611476359136861
Energy: 0.6136248574107737
Energy: 0.5611476359166101
Energy: 0.6136248574127229
Energy: 0.561147635916935
Energy: 0.613624857412398
Energy: 0.4988491131062717
Energy: 0.5201402530925469
Energy: 0.4988491130851543
Energy: 0.520140253092222
Energy: 0.4988491130997741
Energy: 0.520140253091897
Energy: 0.576719521822561
Energy: 0.5924207829356362
Energy: 0.5767195218222362
Energy: 0.592420782938885
Energy: 0.5767195218219112
Energy: 0.5924207829379103
Energy: 0.5791909180799405
Energy: 0.5626631379910754
Energy: 0.5791909177642715
Energy: 0.5626631379910754
Energy: 0.5791909180851388
Energy: 0.5626631379914002
Energy: 0.5358961597827968
Energy: 0.48360677258506196
Energy: 0.5358961603998106
Energy: 0.48360677258668644
Energy: 0.535896159347334
Energy: 0.48360677258668644
Energy: 0.5313765011559047
Energy: 0.5807913791012055
Energy: 0.5313765011552549
Energy: 0.58079137910218
Energy: 0.5313765011559047
Energy: 0.5807913790999059
Energy: 0.5659968657789389
Energy: 0.576491988317522
Energy: 0.5659968657737408
Energy: 0.5764919883360404
Energy: 0.5659968657782891
Energy: 0.5764919883363653
Energy: 0.5927215480340016
Energy: 0.5152475965955595
Energy: 0.6010939825014048
Energy: 0.5152475965952347
Energy: 0.5927215480336767
Energy: 0.5152475965955595
Energy: 0.5469922267562883
Energy: 0.5635459217758371
Energy: 0.5392038627079999
Energy: 0.5635459217748624
Energy: 0.5469922267540142
Energy: 0.5635459217758371
Energy: 0.545554952338669
Energy: 0.5842779895123503
Energy: 0.5229493041952888
Energy: 0.5842779895184937
Energy: 0.5455549523396437
Energy: 0.5842779895113758
Energy: 0.5797349263072585
Energy: 0.5595254550321496
Energy: 0.5799820913868553
Energy: 0.5595254550350736
Energy: 0.5797349263079083
Energy: 0.5595254550230824
Energy: 0.5477183983301487
Energy: 0.5067586130601647
Energy: 0.5477183983022382
Energy: 0.5067586130608144
Energy: 0.5477183983223515
Energy: 0.5067586130614642
Energy: 0.547145466758271
Energy: 0.5364349467173297
Energy: 0.5471454667576212
Energy: 0.536434946502995
Energy: 0.547145466755347
Energy: 0.536434946314326
Energy: 0.5694604567168364
Energy: 0.574078238821904
Energy: 0.5694604567187858
Energy: 0.5740782388225537
Energy: 0.5694604567168364
Energy: 0.5740782388215792
Energy: 0.6221108131407336
Energy: 0.5316499066546557
Energy: 0.6221108131400839
Energy: 0.531649906654331
Energy: 0.6221108131404087
Energy: 0.531649906654331
Energy: 0.5008229402689556
Energy: 0.5314610148846114
Energy: 0.5008229402699302
Energy: 0.5314610148842865
Energy: 0.5008229402692804
Energy: 0.5314610148859109
Energy: 0.5983024499263243
Energy: 0.561637506995933
Energy: 0.5983024499276238
Energy: 0.5616375065562172
Energy: 0.5983024499266492
Energy: 0.5616375067335153
Energy: 0.5628070043412396
Energy: 0.5552261651005552
Energy: 0.5628070043418895
Energy: 0.5552261650995806
Energy: 0.5628070043409148
Energy: 0.5552261650992557
Energy: 0.48932748730115516
Energy: 0.536991121232632
Energy: 0.48932748729335795
Energy: 0.5369911212332819
Energy: 0.48932748729173353
Energy: 0.536991121232632
Energy: 0.5288371426772431
Energy: 0.5659215598585695
Energy: 0.5288371426714248
Energy: 0.5659215598585695
Energy: 0.5288371426753234
Energy: 0.5659215598588944
Energy: 0.5876731172397187
Energy: 0.6197379351556453
Energy: 0.5876731171880917
Energy: 0.6197379351553204
Energy: 0.5876731171913405
Energy: 0.6197379351559702
Energy: 0.519788591384371
Energy: 0.5681056394478471
Energy: 0.5197885913697512
Energy: 0.56810563942416
Energy: 0.5197885913830714
Energy: 0.5681056394254597
Energy: 0.5230814112616413
Energy: 0.5337569330080483
Energy: 0.5228149096031418
Energy: 0.5337569330106473
Energy: 0.5230814112616413
Energy: 0.5337569330096726
Energy: 0.5636651816744668
Energy: 0.5420165635815966
Energy: 0.5604009487570303
Energy: 0.5420165635812717
Energy: 0.5636651816747916
Energy: 0.5420165635812717
Energy: 0.6012150459905998
Energy: 0.536885340614247
Energy: 0.6012150459899501
Energy: 0.5368853449839369
Energy: 0.6012150459905998
Energy: 0.5368853413254181

minimum gb energy = 0.48360677258506196 eV
minimum distance =  2.51960706378858 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.5782612653894348
Energy: 0.6043954525375754
Energy: 0.5782612653889059
Energy: 0.6043954525381043
Energy: 0.5782612653889059
Energy: 0.6043954525375754
Energy: 0.4853725045170185
Energy: 0.5369086995979231
Energy: 0.48537250451543157
Energy: 0.53690869959951
Energy: 0.48537250451490255
Energy: 0.5369086995989811
Energy: 0.4735487315908201
Energy: 0.5126508373262599
Energy: 0.47354873159134914
Energy: 0.512650837322028
Energy: 0.4735487315902912
Energy: 0.512650837324673
Energy: 0.5310355940595171
Energy: 0.48227898503066274
Energy: 0.531035594061104
Energy: 0.48227898503066274
Energy: 0.5310355940589881
Energy: 0.48227898503648164
Energy: 0.5359963366643905
Energy: 0.5460758417077172
Energy: 0.5359963366643905
Energy: 0.5460758417003114
Energy: 0.5359963366638615
Energy: 0.5460758417024274
Energy: 0.4527575681473768
Energy: 0.4976348480456856
Energy: 0.4527575681473768
Energy: 0.4976348480176492
Energy: 0.45275756814684787
Energy: 0.497634848025584
Energy: 0.5398023777446322
Energy: 0.504960834035614
Energy: 0.5398023777441033
Energy: 0.5049608340393168
Energy: 0.5398023777441033
Energy: 0.5049608340382589
Energy: 0.5250040644329388
Energy: 0.5274719134094875
Energy: 0.5250040644334677
Energy: 0.5274719147012302
Energy: 0.5250040644334677
Energy: 0.5274719140630291
Energy: 0.487713178410702
Energy: 0.5006565946095412
Energy: 0.487713178411231
Energy: 0.5006565946782615
Energy: 0.487713178410702
Energy: 0.5006565946063671
Energy: 0.4910025894780252
Energy: 0.4883335709982654
Energy: 0.4910025894727354
Energy: 0.48833357100091035
Energy: 0.49100258946744546
Energy: 0.48833357099932334
Energy: 0.529071624515774
Energy: 0.5393529030716133
Energy: 0.5290716245136581
Energy: 0.5393529030694973
Energy: 0.5290716245141871
Energy: 0.5393529030610335
Energy: 0.45554499592970465
Energy: 0.5618708248022017
Energy: 0.45554499593023356
Energy: 0.5618708248011438
Energy: 0.45554499592970465
Energy: 0.5618708248011438
Energy: 0.5847240872194158
Energy: 0.4738675508735631
Energy: 0.5847240872204738
Energy: 0.4738675509010706
Energy: 0.5847240872220607
Energy: 0.4738675508439397
Energy: 0.5568090757979522
Energy: 0.49964219218363637
Energy: 0.5568090758016553
Energy: 0.49964219200493426
Energy: 0.5568090758000682
Energy: 0.4996421929820729
Energy: 0.46884316976355567
Energy: 0.5533406769013127
Energy: 0.46884316976038176
Energy: 0.5533406769002548
Energy: 0.4688431697640846
Energy: 0.5533406768991967
Energy: 0.5043279107285037
Energy: 0.5074500654146054
Energy: 0.5043279107533181
Energy: 0.5074500654161923
Energy: 0.5043279107406224
Energy: 0.5074500654124894
Energy: 0.5974800571084226
Energy: 0.49785853920331274
Energy: 0.5974800569973829
Energy: 0.49785853920384177
Energy: 0.5974800571047195
Energy: 0.49785853920384177
Energy: 0.5300062042483991
Energy: 0.5457185493383806
Energy: 0.530006204252102
Energy: 0.54571854932304
Energy: 0.5300062042483991
Energy: 0.5457185493378517
Energy: 0.5046863501679805
Energy: 0.5008958086634911
Energy: 0.5046863501764444
Energy: 0.5008958086629622
Energy: 0.5046863501658645
Energy: 0.5008958086629622
Energy: 0.5188210760281708
Energy: 0.45367651611680776
Energy: 0.5188210756183969
Energy: 0.45367651611680776
Energy: 0.5188210765717309
Energy: 0.45367651611680776
Energy: 0.5671325014690503
Energy: 0.5268421864304331
Energy: 0.5671325014748693
Energy: 0.5268421864891508
Energy: 0.5671325014716952
Energy: 0.5268421864764552
Energy: 0.5087597663306266
Energy: 0.5583427836703574
Energy: 0.5087597663422643
Energy: 0.5583427836730024
Energy: 0.5087597663300976
Energy: 0.5583427837041647
Energy: 0.49457026669878634
Energy: 0.4512748723254999
Energy: 0.49457026654701464
Energy: 0.4512748723249709
Energy: 0.4945702667156659
Energy: 0.4512748723254999
Energy: 0.5454496875095798
Energy: 0.5875767146140088
Energy: 0.5454496875095798
Energy: 0.587576714612422
Energy: 0.5454496875021739
Energy: 0.5875767146140088
Energy: 0.5768206846946673
Energy: 0.5245358888373055
Energy: 0.5768206846936094
Energy: 0.5245358888383636
Energy: 0.5768206846946673
Energy: 0.5245358888415373
Energy: 0.5400050411106311
Energy: 0.45414341815519527
Energy: 0.5400050411201047
Energy: 0.45414341815519527
Energy: 0.5400050411153439
Energy: 0.45414341815519527
Energy: 0.4850865081947955
Energy: 0.5636200744875233
Energy: 0.4850865081974405
Energy: 0.5636200744864653
Energy: 0.4850865081942666
Energy: 0.5636200744854073

minimum gb energy = 0.4512748723249709 eV
minimum distance =  2.55025129700413 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.5137966037478078
Energy: 0.41294705198223614
Energy: 0.5137966037424118
Energy: 0.41294725654589287
Energy: 0.5137966037385576
Energy: 0.41294694761542405
Energy: 0.42192884027525873
Energy: 0.5199153413429084
Energy: 0.421928843930896
Energy: 0.5199153413467626
Energy: 0.4219288411235759
Energy: 0.519915341342523
Energy: 0.4117963915542976
Energy: 0.4514058243348921
Energy: 0.41179639156277686
Energy: 0.4514058243241002
Energy: 0.4117963915535267
Energy: 0.45140582435300697
Energy: 0.4977050591262243
Energy: 0.4349512634291071
Energy: 0.49770505912121377
Energy: 0.43495126342409657
Energy: 0.49770505913894325
Energy: 0.4349512634260237
Energy: 0.46351047353573777
Energy: 0.45228820750801774
Energy: 0.4635104735426755
Energy: 0.4522881860471437
Energy: 0.46351047354151914
Energy: 0.4522882205854039
Energy: 0.4036762323690515
Energy: 0.44507627217413614
Energy: 0.4036762323702077
Energy: 0.4450762721860843
Energy: 0.4036762323690515
Energy: 0.44507627217182366
Energy: 0.4933479863594907
Energy: 0.45429237759413993
Energy: 0.49334798635987615
Energy: 0.45429237759413993
Energy: 0.49334798635987615
Energy: 0.4542923775964525
Energy: 0.48785094813327806
Energy: 0.5558710233069386
Energy: 0.4878515817101764
Energy: 0.5558710233142616
Energy: 0.48785027277919946
Energy: 0.555871023307324
Energy: 0.39785783988188306
Energy: 0.4671223550474279
Energy: 0.3978578398822686
Energy: 0.46712235525433027
Energy: 0.39785783988188306
Energy: 0.4671223552142462
Energy: 0.5091403213835262
Energy: 0.4326637209611346
Energy: 0.5091403213854532
Energy: 0.4326637209619055
Energy: 0.509140321396981
Energy: 0.4326637209611346
Energy: 0.4726062868064614
Energy: 0.47029934409212054
Energy: 0.4726062868056905
Energy: 0.4702993443051547
Energy: 0.47260628674594984
Energy: 0.4702993441441177
Energy: 0.42524436911945945
Energy: 0.4440645793091587
Energy: 0.42524436911945945
Energy: 0.44406472077617654
Energy: 0.42524436911945945
Energy: 0.4440646044545769
Energy: 0.5108648965731099
Energy: 0.42263700104509955
Energy: 0.5108648965569221
Energy: 0.4226370010443288
Energy: 0.510864896565016
Energy: 0.42263700104471413
Energy: 0.4922870588118751
Energy: 0.47718448936742114
Energy: 0.4922870588072501
Energy: 0.47718448936742114
Energy: 0.4922870588095626
Energy: 0.47718448936973373
Energy: 0.4267209833770548
Energy: 0.5419186058300345
Energy: 0.42672098337821107
Energy: 0.541918605819628
Energy: 0.42672098337859643
Energy: 0.5419186058319616
Energy: 0.46301824422447263
Energy: 0.40817967518344306
Energy: 0.46301824450611206
Energy: 0.40817967518575554
Energy: 0.46301824449724743
Energy: 0.4081796751845993
Energy: 0.4982061361983924
Energy: 0.46981127410153356
Energy: 0.49820613621419474
Energy: 0.46981127410153356
Energy: 0.4982061361833609
Energy: 0.46981127410114804
Energy: 0.4146078282895379
Energy: 0.5270469742833765
Energy: 0.41460782829030873
Energy: 0.5270469742833765
Energy: 0.4146078282933921
Energy: 0.5270469742833765
Energy: 0.4373477408066388
Energy: 0.40747288291312095
Energy: 0.43734774081087835
Energy: 0.407472882923142
Energy: 0.4373477408039408
Energy: 0.40747288291813144
Energy: 0.5344381372916835
Energy: 0.461653621264551
Energy: 0.5344381372867081
Energy: 0.461653621264551
Energy: 0.534438137284781
Energy: 0.46165362126570725
Energy: 0.4445867153779199
Energy: 0.5130348106324386
Energy: 0.4445867153763782
Energy: 0.5130348106251155
Energy: 0.4445867153783054
Energy: 0.5130348106316678
Energy: 0.4529656658216333
Energy: 0.4433986757180946
Energy: 0.4529656658281855
Energy: 0.4433986751020826
Energy: 0.45296566582548753
Energy: 0.44339867550197704
Energy: 0.49751638169048795
Energy: 0.41617461341160633
Energy: 0.49751638169125884
Energy: 0.4161746134123772
Energy: 0.49751638168509205
Energy: 0.41617461341276263
Energy: 0.45497920515194845
Energy: 0.5063196409309735
Energy: 0.4549792064171188
Energy: 0.5063196409722137
Energy: 0.4549792070227243
Energy: 0.5063196409409945
Energy: 0.4666007157086896
Energy: 0.41781183138080213
Energy: 0.46660071571100215
Energy: 0.417810127154242
Energy: 0.46660071570907496
Energy: 0.4178099231734859
Energy: 0.48856193604400117
Energy: 0.40830631332590706
Energy: 0.48856193604168874
Energy: 0.40830631332667794
Energy: 0.48856193604168874
Energy: 0.40830631332590706
Energy: 0.4342894402835425
Energy: 0.47969403764382046
Energy: 0.434289439961854
Energy: 0.47969403764227875
Energy: 0.4342894401252035
Energy: 0.47969403764806007
Energy: 0.46354363370352747
Energy: 0.4982513865932768
Energy: 0.46354363370429824
Energy: 0.49825138659250595
Energy: 0.4635436337039128
Energy: 0.4982513865932768
Energy: 0.4854420517218201
Energy: 0.38770372481231496
Energy: 0.48544205172220556
Energy: 0.3877037248127003
Energy: 0.4854420517218201
Energy: 0.3877037248127003
Energy: 0.4431162630312594
Energy: 0.4757829048262877
Energy: 0.4431162630374262
Energy: 0.47578290482474606
Energy: 0.443116263030874
Energy: 0.4757829048262877
Energy: 0.5075013487556587
Energy: 0.4997401515671104
Energy: 0.5075013487564296
Energy: 0.49974015157401297
Energy: 0.5075013487583566
Energy: 0.49974015157632556
Energy: 0.4660194275406978
Energy: 0.3804005391749245
Energy: 0.4660194275395415
Energy: 0.3804005391749245
Energy: 0.46601942753799985
Energy: 0.3804005391749245
Energy: 0.43832079407152463
Energy: 0.5273369810684738
Energy: 0.43832079407537894
Energy: 0.5273369810684738
Energy: 0.4383207940742226
Energy: 0.5273369810688593
Energy: 0.4655797647368917
Energy: 0.47019867346826444
Energy: 0.46557973694172167
Energy: 0.4701986734671082
Energy: 0.46557976028840314
Energy: 0.470198673467879
Energy: 0.482435918014704
Energy: 0.4209908719409971
Energy: 0.482435918054753
Energy: 0.4209908719409971
Energy: 0.48243591818229314
Energy: 0.4209908719409971
Energy: 0.42358778660028323
Energy: 0.5006612431931622
Energy: 0.42358778659719987
Energy: 0.5006612431893079
Energy: 0.42358778660452295
Energy: 0.5006612431927767

minimum gb energy = 0.3804005391749245 eV
minimum distance =  2.49746431492773 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.0877116886107552
Energy: 0.12496791370775338
Energy: 0.08771168861090003
Energy: 0.1249679137103121
Energy: 0.08771168861090003
Energy: 0.12496791370846146
Energy: 0.25290425491545
Energy: 0.19019117889152953
Energy: 0.2529042549150316
Energy: 0.19019117889181916
Energy: 0.2529042549145971
Energy: 0.19019117889181916
Energy: 0.25290362136443445
Energy: 0.1954079250747587
Energy: 0.2529036213649977
Energy: 0.19540792508069682
Energy: 0.25290362136485284
Energy: 0.1954079251091483
Energy: 0.0877116886107552
Energy: 0.12496791370875113
Energy: 0.08771168861090003
Energy: 0.1249679137086063
Energy: 0.08771168861104485
Energy: 0.12496791370775338
Energy: 0.2529042549148867
Energy: 0.1901911788906766
Energy: 0.25290425491545
Energy: 0.19019117889040302
Energy: 0.2529042549150316
Energy: 0.19019117889152953
Energy: 0.2529036213651425
Energy: 0.19540792499634013
Energy: 0.2529036213651425
Energy: 0.1954079251261419
Energy: 0.2529036213649977
Energy: 0.19540792501431545
Energy: 0.0877116886107552
Energy: 0.12496791370916953
Energy: 0.0877116886107552
Energy: 0.12496791370889596
Energy: 0.08771168861090003
Energy: 0.1249679137064821
Energy: 0.2529042549150316
Energy: 0.19019117889123985
Energy: 0.2529042549148867
Energy: 0.19019117889181916
Energy: 0.2529042549148867
Energy: 0.1901911788911111
Energy: 0.2529036213649977
Energy: 0.19540792512174868
Energy: 0.2529036213649977
Energy: 0.1954079251466598
Energy: 0.2529036213649977
Energy: 0.1954079251684651
Energy: 0.08771168861062645
Energy: 0.12496791370818788
Energy: 0.08771168861062645
Energy: 0.1249679137086063
Energy: 0.08771168861062645
Energy: 0.12496791370889596

minimum gb energy = 0.08771168861062645 eV
minimum distance =  2.79499514768496 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5151179559092051
Energy: 0.5329452385487652
Energy: 0.5151179557584153
Energy: 0.5329452385343566
Energy: 0.5151179559845998
Energy: 0.5329452385288473
Energy: 0.42200820636449204
Energy: 0.44303670027487846
Energy: 0.4220082063572878
Energy: 0.4430367002702168
Energy: 0.42200820636237313
Energy: 0.4430367002710644
Energy: 0.48609892822995826
Energy: 0.44282636589138535
Energy: 0.48609892822616346
Energy: 0.44282636589350427
Energy: 0.48609892822995826
Energy: 0.4428263658909616
Energy: 0.48109426880314493
Energy: 0.4327331302189403
Energy: 0.4810942687963644
Energy: 0.43273313021851656
Energy: 0.4810942688039925
Energy: 0.43273313021936416
Energy: 0.4268407681939213
Energy: 0.490744682631422
Energy: 0.42684076819349753
Energy: 0.49074468263269333
Energy: 0.42684076819434513
Energy: 0.49074468263269333
Energy: 0.48762165357987286
Energy: 0.466160639615094
Energy: 0.48762165358538206
Energy: 0.4661606396311785
Energy: 0.4876216535794491
Energy: 0.4661606396206031
Energy: 0.4521180160385821
Energy: 0.4427252035100483
Energy: 0.4521180161000113
Energy: 0.4427252035100483
Energy: 0.45211801604536256
Energy: 0.4427252035100483
Energy: 0.4291833529237356
Energy: 0.45831608503645377
Energy: 0.4291833529237356
Energy: 0.45831607173177247
Energy: 0.4291833529237356
Energy: 0.4583160772372316
Energy: 0.4398211827393976
Energy: 0.4881895706566553
Energy: 0.4398199540229494
Energy: 0.4881895706562316
Energy: 0.4398209316511123
Energy: 0.4881895706558077
Energy: 0.4778680711541242
Energy: 0.4263673962770848
Energy: 0.4778680711558194
Energy: 0.4263673962770848
Energy: 0.4778680711592097
Energy: 0.4263673962770848
Energy: 0.4339865860851495
Energy: 0.4616670066483631
Energy: 0.4339865860851495
Energy: 0.4616670067051308
Energy: 0.43398658608303065
Energy: 0.4616670064259734
Energy: 0.47996174299662486
Energy: 0.462602333012968
Energy: 0.47996174299662486
Energy: 0.4626023338012618
Energy: 0.47996174299620115
Energy: 0.4626023302456084
Energy: 0.46208694628987623
Energy: 0.4206934731446096
Energy: 0.4620869464360235
Energy: 0.4206934731450334
Energy: 0.46208694645380316
Energy: 0.4206934731450334
Energy: 0.4365147760148344
Energy: 0.44995928449942646
Energy: 0.4365147760144107
Energy: 0.4499592845032405
Energy: 0.4365147760148344
Energy: 0.4499592845070545
Energy: 0.44678067164340485
Energy: 0.4942855390761897
Energy: 0.4467806716421335
Energy: 0.4942855390736471
Energy: 0.44678067164255725
Energy: 0.4942855390770373
Energy: 0.4623202560305603
Energy: 0.4251818830066222
Energy: 0.4623202560305603
Energy: 0.42518188300619836
Energy: 0.4623202561618752
Energy: 0.42518188300704596
Energy: 0.5059663969185679
Energy: 0.46500977466368554
Energy: 0.5059663965148763
Energy: 0.4650097867657868
Energy: 0.5059663965640158
Energy: 0.46500977403675664
Energy: 0.4416642379504619
Energy: 0.4551663004551358
Energy: 0.4416642379309678
Energy: 0.45516630036490857
Energy: 0.4416642379487667
Energy: 0.45516630053731105
Energy: 0.4383257520330616
Energy: 0.43475035244046567
Energy: 0.43832574223319926
Energy: 0.4347503524396181
Energy: 0.4383257449941829
Energy: 0.4347503524374992
Energy: 0.4427692344916043
Energy: 0.49614362014662144
Energy: 0.4427692345437103
Energy: 0.496143620132232
Energy: 0.4427692345085556
Energy: 0.49614362015975866
Energy: 0.4417410758272266
Energy: 0.4266413036657971
Energy: 0.44174107585560074
Energy: 0.42664130366876357
Energy: 0.4417410758488202
Energy: 0.4266413036645258
Energy: 0.4637541677883088
Energy: 0.46274848516687705
Energy: 0.4637541679221664
Energy: 0.46274848520203177
Energy: 0.4637541678315154
Energy: 0.46274848516391065
Energy: 0.429281768191876
Energy: 0.5017770538710407
Energy: 0.42928176819018093
Energy: 0.5017770539578778
Energy: 0.42928176819569014
Energy: 0.5017770540137978
Energy: 0.45444544817182203
Energy: 0.41899791018689886
Energy: 0.45444544816970317
Energy: 0.4189979101877463
Energy: 0.45444544817097454
Energy: 0.4189979101877463
Energy: 0.4632561550437968
Energy: 0.4592410156000316
Energy: 0.46325615504337303
Energy: 0.4592410155682479
Energy: 0.4632561550501343
Energy: 0.45924101561526853
Energy: 0.4135099481574041
Energy: 0.4701728878828843
Energy: 0.4135099481574041
Energy: 0.470172888361547
Energy: 0.41350994816121817
Energy: 0.47017288868304413
Energy: 0.4875213653363688
Energy: 0.43310571726457975
Energy: 0.4875213653376402
Energy: 0.43310571728195485
Energy: 0.4875213653363688
Energy: 0.43310571726373215
Energy: 0.44940122190651804
Energy: 0.4573145210510253
Energy: 0.44940129147430347
Energy: 0.457314521049754
Energy: 0.4494012866389799
Energy: 0.45731452104848264
Energy: 0.3923228417542794
Energy: 0.4627285098905292
Energy: 0.3923228417542794
Energy: 0.4627288333415055
Energy: 0.3923228417547032
Energy: 0.4627285630965795
Energy: 0.4925710227506495
Energy: 0.45745258956495377
Energy: 0.4925710227493782
Energy: 0.4574525895658012
Energy: 0.4925710227489543
Energy: 0.4574525895619872
Energy: 0.46019809809083345
Energy: 0.4447824429221552
Energy: 0.4601904902468649
Energy: 0.4447824429259692
Energy: 0.46019695492739404
Energy: 0.4447824429268168
Energy: 0.4209615860536129
Energy: 0.4560085227526213
Energy: 0.4209615860531891
Energy: 0.45600852222058125
Energy: 0.4209615860536129
Energy: 0.4560085226848353
Energy: 0.44960977128585744
Energy: 0.4760103624227189
Energy: 0.44960977102153254
Energy: 0.47601036242144756
Energy: 0.4496097712159718
Energy: 0.47601036242314276

minimum gb energy = 0.3923228417542794 eV
minimum distance =  2.62542579506743 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.5503920326801073
Energy: 0.6042724845890297
Energy: 0.5503919840519166
Energy: 0.6042724845890297
Energy: 0.5503920066786971
Energy: 0.6042724845890297
Energy: 0.4932833253459725
Energy: 0.5222914817211303
Energy: 0.49328332535077585
Energy: 0.5222914817078458
Energy: 0.4932833253471802
Energy: 0.5222914816342044
Energy: 0.5271375803086149
Energy: 0.512439792824458
Energy: 0.5271375802989535
Energy: 0.5124397928256657
Energy: 0.527137580296538
Energy: 0.5124397928268735
Energy: 0.5171516056783967
Energy: 0.4940402806442247
Energy: 0.5171516059530353
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Energy: 0.5171516057079849
Energy: 0.4940402806442247
Energy: 0.48878072086580365
Energy: 0.5164862712642524
Energy: 0.48878072133235445
Energy: 0.5164862712914253
Energy: 0.48878072092978353
Energy: 0.51648627127331
Energy: 0.5239785593649341
Energy: 0.5037694779169399
Energy: 0.5239785593631227
Energy: 0.503769477920563
Energy: 0.5239785593637264
Energy: 0.5037694779109014
Energy: 0.5461393014590091
Energy: 0.5147361286671722
Energy: 0.5461393014559899
Energy: 0.5147361286677761
Energy: 0.5461393014571977
Energy: 0.5147361286671722
Energy: 0.5293277494653211
Energy: 0.5230473283211109
Energy: 0.5293277494725673
Energy: 0.5230473283186956
Energy: 0.5293277494683404
Energy: 0.5230473283192995
Energy: 0.5752453567773397
Energy: 0.5313246550185055
Energy: 0.5752453567773397
Energy: 0.5313246549979749
Energy: 0.5752453567773397
Energy: 0.5313246549949556
Energy: 0.5144606612316207
Energy: 0.5139202886485913
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Energy: 0.5704454585736682
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Energy: 0.5704454585736682
Energy: 0.5146804867021763
Energy: 0.4996763971269385
Energy: 0.5475094854208215
Energy: 0.4996763971366
Energy: 0.5475094854250483
Energy: 0.4996763971366
Energy: 0.5475094854202176
Energy: 0.4946793092204313
Energy: 0.5041730614908382
Energy: 0.49467930919690895
Energy: 0.5041730614914419
Energy: 0.4946793092337159
Energy: 0.5041730614908382
Energy: 0.5229337466222942
Energy: 0.5356566039943897
Energy: 0.5229337466222942
Energy: 0.5356566039919743
Energy: 0.5229337466216903
Energy: 0.5356566039919743
Energy: 0.5013362145567078
Energy: 0.5019191794297122
Energy: 0.5013362145687847
Energy: 0.5019191794321277
Energy: 0.5013362145681809
Energy: 0.5019191794309199
Energy: 0.5462502912503522
Energy: 0.5053760758449255
Energy: 0.546250291250956
Energy: 0.5053760758437178
Energy: 0.5462502912503522
Energy: 0.505376075847341
Energy: 0.48698017890698486
Energy: 0.5490702855776639
Energy: 0.4869801789130233
Energy: 0.5490702855716255
Energy: 0.486980178906381
Energy: 0.5490702855680025
Energy: 0.5324579938715005
Energy: 0.4910937992671524
Energy: 0.5324579938708967
Energy: 0.4910937992671524
Energy: 0.5324579938696891
Energy: 0.49109379926295293
Energy: 0.5221328344652084
Energy: 0.5242882002810405
Energy: 0.5221328344664161
Energy: 0.5242882002810405
Energy: 0.5221328344579623
Energy: 0.5242882002810405
Energy: 0.5215137916004072
Energy: 0.5309431250875543
Energy: 0.5215137916004072
Energy: 0.5309431072271783
Energy: 0.5215137916004072
Energy: 0.5309431052432257
Energy: 0.5450913035761076
Energy: 0.5220774504750539
Energy: 0.5450913035767114
Energy: 0.5220774504750539
Energy: 0.5450913035761076
Energy: 0.5220774504744501
Energy: 0.5451975195279914
Energy: 0.5508117979339339
Energy: 0.5451975195273876
Energy: 0.5508117979363492
Energy: 0.5451975195285953
Energy: 0.5508117979345377
Energy: 0.5210732898390321
Energy: 0.5227876936991238
Energy: 0.521073289831786
Energy: 0.5227876939242473
Energy: 0.5210732898323898
Energy: 0.5227876978311917

minimum gb energy = 0.486980178906381 eV
minimum distance =  2.596137709708 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.5843645664082434
Energy: 0.5877497946645556
Energy: 0.584364566405179
Energy: 0.5877497946645556
Energy: 0.5843645664120741
Energy: 0.5877497946645556
Energy: 0.5379947837319422
Energy: 0.5478371806933136
Energy: 0.5379947837323253
Energy: 0.5478371806921644
Energy: 0.5379947837323253
Energy: 0.5478371806929305
Energy: 0.5507870551152243
Energy: 0.5329417320054587
Energy: 0.5507870551152243
Energy: 0.5329417319733158
Energy: 0.5507870551117767
Energy: 0.5329417319974141
Energy: 0.5694442076973038
Energy: 0.5181163283972935
Energy: 0.5694442076980699
Energy: 0.5181163283984428
Energy: 0.5694442076976869
Energy: 0.5181163283980598
Energy: 0.5487993271116172
Energy: 0.5560151312446435
Energy: 0.5487993271120002
Energy: 0.5560151312829154
Energy: 0.5487993271123832
Energy: 0.5560151312434942
Energy: 0.6015796064403841
Energy: 0.5848491796151521
Energy: 0.6015796064411503
Energy: 0.5848491796151521
Energy: 0.6015796064411503
Energy: 0.584849179614769
Energy: 0.5710236568647075
Energy: 0.5690681393509436
Energy: 0.5710236568635583
Energy: 0.5690681393509436
Energy: 0.571023656862792
Energy: 0.5690681393505606
Energy: 0.6038793093027711
Energy: 0.5573940667858902
Energy: 0.6038793093023881
Energy: 0.5573940667858902
Energy: 0.6038793093023881
Energy: 0.5573940667881886
Energy: 0.5421417286675113
Energy: 0.5694554973702513
Energy: 0.5421417286675113
Energy: 0.5694554973733158
Energy: 0.5421417286675113
Energy: 0.5694554973717836
Energy: 0.6670392226426012
Energy: 0.5589014264367483
Energy: 0.6670392226452827
Energy: 0.5589014264367483
Energy: 0.6670392226418351
Energy: 0.5589014264367483
Energy: 0.5470802200969118
Energy: 0.5866658103104048
Energy: 0.5470802201172144
Energy: 0.5866658103104048
Energy: 0.5470802200942303
Energy: 0.5866658103104048
Energy: 0.5401219216723997
Energy: 0.5346574472712211
Energy: 0.5401219216777627
Energy: 0.5346574472666242
Energy: 0.5401219216723997
Energy: 0.5346574472685396
Energy: 0.5893406863245364
Energy: 0.5257095756933732
Energy: 0.5893406854538618
Energy: 0.5257095756926069
Energy: 0.5893406841925988
Energy: 0.5257095756933732
Energy: 0.5441638244663933
Energy: 0.5758652009471082
Energy: 0.5441638244679257
Energy: 0.5758652009574512
Energy: 0.5441638244683087
Energy: 0.5758652009532373
Energy: 0.5610990935345904
Energy: 0.5519213417266969
Energy: 0.5610990935338243
Energy: 0.5519213417259307
Energy: 0.5610990935345904
Energy: 0.5519213417301445
Energy: 0.557680760977141
Energy: 0.54782598289674
Energy: 0.5576807609763749
Energy: 0.5478259829013368
Energy: 0.5576807609752257
Energy: 0.5478259828990385
Energy: 0.582257173845554
Energy: 0.5513178023667779
Energy: 0.582257173845554
Energy: 0.551317802367927
Energy: 0.5822571738459371
Energy: 0.5513178023744392
Energy: 0.5680883566356815
Energy: 0.5673995511762304
Energy: 0.5680883566330001
Energy: 0.5673995511754644
Energy: 0.5680883566368307
Energy: 0.5673995511762304
Energy: 0.555730270862551
Energy: 0.5711324272128923
Energy: 0.5557302708529742
Energy: 0.5711324272132752
Energy: 0.5557302708617848
Energy: 0.5711324272136583
Energy: 0.5715961879277767
Energy: 0.5666665098768455
Energy: 0.5715961879277767
Energy: 0.5666665098768455
Energy: 0.5715961879277767
Energy: 0.5666665098802931
Energy: 0.5941013604295672
Energy: 0.5432852403473715
Energy: 0.5941013604242043
Energy: 0.5432852403477545
Energy: 0.5941013604257365
Energy: 0.5432852403458392
Energy: 0.5505480418204125
Energy: 0.5500404550946116
Energy: 0.5505480422013892
Energy: 0.5500404550946116
Energy: 0.5505480417534108
Energy: 0.5500404550980591
Energy: 0.5289821904871845
Energy: 0.5826178534190594
Energy: 0.5289821904875677
Energy: 0.5826178534186762
Energy: 0.5289821904871845
Energy: 0.5826178534190594
Energy: 0.6044173905892094
Energy: 0.5514665830173727
Energy: 0.6044173905876773
Energy: 0.5514665830173727
Energy: 0.6044173905888265
Energy: 0.5514665830177558
Energy: 0.5387381160349112
Energy: 0.5419667958336957
Energy: 0.5387381160306977
Energy: 0.5419667958333126
Energy: 0.5387381160368266
Energy: 0.5419667958340788
Energy: 0.540736138443417
Energy: 0.5612515237539447
Energy: 0.540736138443417
Energy: 0.5612515237547109
Energy: 0.5407361384445661
Energy: 0.5612515237531785
Energy: 0.5539790353888783
Energy: 0.5377242855358245
Energy: 0.5539790353973058
Energy: 0.53772428553774
Energy: 0.5539790353861969
Energy: 0.53772428553774
Energy: 0.5830044135488002
Energy: 0.6013591701671416
Energy: 0.583004412993598
Energy: 0.6013591701656092
Energy: 0.5830044130778377
Energy: 0.6013591701671416
Energy: 0.5774090873891786
Energy: 0.5652205186348295
Energy: 0.5774090873872634
Energy: 0.5652205186248698
Energy: 0.5774090873891786
Energy: 0.5652205186344464
Energy: 0.5590362994334453
Energy: 0.5533188427866965
Energy: 0.559036299431147
Energy: 0.5533188427958899
Energy: 0.55903629943153
Energy: 0.5533188427874626
Energy: 0.5888758709591678
Energy: 0.5585551917976116
Energy: 0.5888758709610832
Energy: 0.5585551917968455
Energy: 0.5888758709587848
Energy: 0.5585551917968455
Energy: 0.5730951817871478
Energy: 0.565908549581677
Energy: 0.5730951817871478
Energy: 0.5659085495774632
Energy: 0.5730951817867647
Energy: 0.5659085495778463
Energy: 0.5720494922075848
Energy: 0.6113955954983038
Energy: 0.5720494922056694
Energy: 0.6113955954967716
Energy: 0.5720494922072017
Energy: 0.6113955954986868
Energy: 0.5460843740695748
Energy: 0.5574352710660563
Energy: 0.5460843740688085
Energy: 0.557435271064524
Energy: 0.5460843740699578
Energy: 0.557435271064524
Energy: 0.557547541987068
Energy: 0.5345670574136052
Energy: 0.557547541987068
Energy: 0.5345670572953074
Energy: 0.557547541987068
Energy: 0.5345670573561802
Energy: 0.5801911933490733
Energy: 0.5275116798946919
Energy: 0.5801911933525209
Energy: 0.5275116799004379
Energy: 0.580191193348307
Energy: 0.5275116798989057
Energy: 0.5269537793837143
Energy: 0.6338242453393964
Energy: 0.5269537793844805
Energy: 0.6338242453393964
Energy: 0.5269537793837143
Energy: 0.6338242453390134

minimum gb energy = 0.5181163283972935 eV
minimum distance =  2.54008448944435 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.6046614074385395
Energy: 0.601792281336856
Energy: 0.6046614074354018
Energy: 0.601792281336856
Energy: 0.6046614074406312
Energy: 0.601792281336856
Energy: 0.5861148418564075
Energy: 0.5918540047398868
Energy: 0.5861148418553616
Energy: 0.5918540047398868
Energy: 0.5861148418553616
Energy: 0.5918540047398868
Energy: 0.6280555206269515
Energy: 0.5873222567054542
Energy: 0.628055520623814
Energy: 0.5873222567054542
Energy: 0.628055520623814
Energy: 0.5873222567054542
Energy: 0.6098341671453424
Energy: 0.641678936607098
Energy: 0.6098341671432508
Energy: 0.641678936607098
Energy: 0.6098341671411589
Energy: 0.641678936606052
Energy: 0.6236917465967358
Energy: 0.5994505056225077
Energy: 0.6236917465967358
Energy: 0.5994505056225077
Energy: 0.6236917465967358
Energy: 0.5994505056225077
Energy: 0.6132486578890451
Energy: 0.6060906349781728
Energy: 0.6132486578859075
Energy: 0.6060906349907235
Energy: 0.6132486578869533
Energy: 0.6060906349802647
Energy: 0.611387533044842
Energy: 0.6129348633911788
Energy: 0.6113875330093056
Energy: 0.6129348633901328
Energy: 0.6113875329612185
Energy: 0.6129348633901328
Energy: 0.5803393701827296
Energy: 0.6057697845026475
Energy: 0.5803393702214037
Energy: 0.6057697845026475
Energy: 0.5803393701890049
Energy: 0.6057697845026475
Energy: 0.5768065257369729
Energy: 0.5885981217523549
Energy: 0.5768065257369729
Energy: 0.588598121750263
Energy: 0.5768065257369729
Energy: 0.5885981217492173
Energy: 0.6022458573789318
Energy: 0.5790809442250734
Energy: 0.6022458573810235
Energy: 0.5790809442250734
Energy: 0.6022458573799776
Energy: 0.5790809442250734
Energy: 0.6170207963771817
Energy: 0.5900519293230235
Energy: 0.6170207963761595
Energy: 0.5900519293230235
Energy: 0.6170207963771817
Energy: 0.5900519293230235
Energy: 0.6170428559943164
Energy: 0.5814811699814744
Energy: 0.6170428559943164
Energy: 0.5814811699814744
Energy: 0.6170428559943164
Energy: 0.5814811699814744
Energy: 0.6140210612433745
Energy: 0.6076521855030417
Energy: 0.6140210612611308
Energy: 0.6076521855040876
Energy: 0.6140210612601087
Energy: 0.6076521855009738
Energy: 0.6096570828047858
Energy: 0.6029045975218461
Energy: 0.6096570828047858
Energy: 0.6029045975218461
Energy: 0.6096570828058318
Energy: 0.6029045975218461

minimum gb energy = 0.5768065257369729 eV
minimum distance =  2.51342648810871 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.6162623684619325
Energy: 0.6928239375212654
Energy: 0.6162623684605542
Energy: 0.6928239375203463
Energy: 0.6162623684545813
Energy: 0.6928239375203463
Energy: 0.618524465858441
Energy: 0.6267844960516042
Energy: 0.6185244641436074
Energy: 0.6267844960539016
Energy: 0.6185244656306557
Energy: 0.6267844960506853
Energy: 0.6400147426181242
Energy: 0.5937367501007471
Energy: 0.6400147426185836
Energy: 0.5937367504603545
Energy: 0.6400147426195025
Energy: 0.593736750207299
Energy: 0.6131490511020005
Energy: 0.5771103013207747
Energy: 0.6131490511038383
Energy: 0.5771103013203152
Energy: 0.6131490511029195
Energy: 0.5771103013193962
Energy: 0.6383544931559622
Energy: 0.5973529128517449
Energy: 0.6383544931555026
Energy: 0.5973529128572584
Energy: 0.6383544931559622
Energy: 0.5973529128577177
Energy: 0.60389526135541
Energy: 0.6253984948581083
Energy: 0.6038952611781437
Energy: 0.6253984947905893
Energy: 0.6038952613434853
Energy: 0.625398494844784
Energy: 0.5935362229034856
Energy: 0.6184566927034183
Energy: 0.5935362226738622
Energy: 0.6184566927034183
Energy: 0.5935362228075011
Energy: 0.6184566927034183
Energy: 0.576182482323051
Energy: 0.6202458513981352
Energy: 0.5761824823666785
Energy: 0.6202458513972162
Energy: 0.5761824824856356
Energy: 0.6202458513967567
Energy: 0.5889889045817899
Energy: 0.612247578565721
Energy: 0.5889889048610134
Energy: 0.6122475785670992
Energy: 0.588988904790299
Energy: 0.6122475785634236
Energy: 0.5995937377967481
Energy: 0.6190199762764518
Energy: 0.5995937377967481
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Energy: 0.5995937377962886
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Energy: 0.6002869161549312
Energy: 0.6358266681473242
Energy: 0.600286916157667
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Energy: 0.6002869161553698
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Energy: 0.6329654930299375
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Energy: 0.6011953780873511
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Energy: 0.5955191537826501
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Energy: 0.6064675731456244
Energy: 0.6305909997019032
Energy: 0.6112185518119357
Energy: 0.6120437352832474
Energy: 0.6112185518137736
Energy: 0.6120437352869231
Energy: 0.6112185518110168
Energy: 0.6120437352823285
Energy: 0.6256026713007151
Energy: 0.5975081010499533
Energy: 0.6256026712979583
Energy: 0.5975081010494938
Energy: 0.6256026712979583
Energy: 0.5975081010504129
Energy: 0.5918378731133334
Energy: 0.5930026530228447
Energy: 0.5918378729181483
Energy: 0.5930026519647189
Energy: 0.5918378729783161
Energy: 0.5930026522209907
Energy: 0.6171209338356499
Energy: 0.6510265856805799
Energy: 0.617120933823704
Energy: 0.6510265856810394
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Energy: 0.6510265856833367
Energy: 0.6154172605241214
Energy: 0.6079246962062208
Energy: 0.6154172605209053
Energy: 0.6079246962080586
Energy: 0.6154172605195269
Energy: 0.6079246962039235
Energy: 0.6406837590790931
Energy: 0.6387359468103517
Energy: 0.6406837590790931
Energy: 0.6387359468103517
Energy: 0.6406837590795527
Energy: 0.6387359468112707
Energy: 0.6000452744475178
Energy: 0.6330581234485414
Energy: 0.6000452744475178
Energy: 0.6330581234485414
Energy: 0.6000452744465988
Energy: 0.6330581234485414
Energy: 0.5851622673836635
Energy: 0.6049064648560825
Energy: 0.585162267384123
Energy: 0.6049064653424367
Energy: 0.585162267384123
Energy: 0.604906465149549
Energy: 0.606881008170526
Energy: 0.6148456507545472
Energy: 0.6068810081677694
Energy: 0.6148456508385858
Energy: 0.6068810081613369
Energy: 0.6148456508197692
Energy: 0.6384357424119523
Energy: 0.5809195831954388
Energy: 0.6384357424114929
Energy: 0.5809195892846425
Energy: 0.6384357424114929
Energy: 0.5809195947180573
Energy: 0.6116494465604851
Energy: 0.6123994595621199
Energy: 0.611649446561404
Energy: 0.6123994595616606
Energy: 0.6116494465600257
Energy: 0.6123994595625795
Energy: 0.5908450662853963
Energy: 0.5823281327732371
Energy: 0.5908450662812613
Energy: 0.5823281327796694
Energy: 0.5908450662817207
Energy: 0.5823281327723182
Energy: 0.5899547240317422
Energy: 0.6649633860164804
Energy: 0.5899547216895642
Energy: 0.6649633860164804
Energy: 0.5899547246558706
Energy: 0.6649633860164804

minimum gb energy = 0.576182482323051 eV
minimum distance =  2.57209789513714 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.550578485283225
Energy: 0.5060242961397968
Energy: 0.550578485283225
Energy: 0.5060242961422496
Energy: 0.5505784852840425
Energy: 0.5060242961406144
Energy: 0.6113907035447503
Energy: 0.5703474713916085
Energy: 0.611390703560285
Energy: 0.5703474713940613
Energy: 0.6113907035463856
Energy: 0.5703474713908095
Energy: 0.607894313007388
Energy: 0.5656837058801168
Energy: 0.607894313007388
Energy: 0.5656837058801168
Energy: 0.607894313007388
Energy: 0.5656837058801168
Energy: 0.5758656429360411
Energy: 0.7311175423762036
Energy: 0.5758656429360411
Energy: 0.7311175414846034
Energy: 0.5758656429368587
Energy: 0.7311175423909205
Energy: 0.6090929717274777
Energy: 0.5623906891700887
Energy: 0.6090929717282954
Energy: 0.5623906891700887
Energy: 0.6090929717282954
Energy: 0.5623906891700887
Energy: 0.6170979647735866
Energy: 0.5936527903218202
Energy: 0.6170979647735866
Energy: 0.5936527903218202
Energy: 0.6170979647744042
Energy: 0.5936527903218202
Energy: 0.5505784852791555
Energy: 0.5060242961479728
Energy: 0.5505784852775202
Energy: 0.5060242961422496
Energy: 0.5505784852783379
Energy: 0.5060242961512433
Energy: 0.6113907033388063
Energy: 0.570347471394879
Energy: 0.611390703335536
Energy: 0.5703474713916085
Energy: 0.6113907033339007
Energy: 0.5703474713908095
Energy: 0.6078943130057528
Energy: 0.5656837058809345
Energy: 0.6078943130057528
Energy: 0.5656837058809345
Energy: 0.6078943130057528
Energy: 0.5656837058809345
Energy: 0.5758656429335883
Energy: 0.7761137560666639
Energy: 0.5758656429335883
Energy: 0.7761137560674816
Energy: 0.5758656429335883
Energy: 0.7761137560674816
Energy: 0.6090929717282954
Energy: 0.5623906891668182
Energy: 0.6090929717282954
Energy: 0.5623906891668182
Energy: 0.6090929717282954
Energy: 0.5623906891668182
Energy: 0.6170979647744042
Energy: 0.5936527903210025
Energy: 0.6170979647752218
Energy: 0.5936527903218202
Energy: 0.6170979647744042
Energy: 0.5936527903210025
Energy: 0.5505784852685266
Energy: 0.5060242960784948
Energy: 0.5505784852685266
Energy: 0.5060242960809476
Energy: 0.5505784852693442
Energy: 0.5060242960776772
Energy: 0.6113907032636237
Energy: 0.5703474713826334
Energy: 0.6113907032750702
Energy: 0.5703474713826334
Energy: 0.6113907032554476
Energy: 0.570347471383451
Energy: 0.6078943130065705
Energy: 0.5656837058801168
Energy: 0.6078943130065705
Energy: 0.5656837058801168
Energy: 0.6078943130065705
Energy: 0.5656837058801168
Energy: 0.5758656429368587
Energy: 0.7761137560674816
Energy: 0.5758656429368587
Energy: 0.7761137560674816
Energy: 0.5758656429368587
Energy: 0.7761137560666639
Energy: 0.6090929717299305
Energy: 0.5623906891668182
Energy: 0.6090929717291128
Energy: 0.5623906891676358
Energy: 0.6090929717291128
Energy: 0.5623906891668182

minimum gb energy = 0.5060242960776772 eV
minimum distance =  2.55509616942329 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.6121106994023678
Energy: 0.6509859807345234
Energy: 0.6121106993950549
Energy: 0.6509859807345234
Energy: 0.6121106993990603
Energy: 0.6509859807345234
Energy: 0.6087636936537096
Energy: 0.5996403201957661
Energy: 0.6087636936503718
Energy: 0.5996403262573304
Energy: 0.6087636936557124
Energy: 0.5996403203212395
Energy: 0.6214355158972962
Energy: 0.6124367985649883
Energy: 0.6214355155990428
Energy: 0.6124367985636532
Energy: 0.6214355158919557
Energy: 0.612436798562318
Energy: 0.5986388202606437
Energy: 0.6606360629285061
Energy: 0.598638820253968
Energy: 0.6606360629285061
Energy: 0.598638820253968
Energy: 0.6606360629285061
Energy: 0.5820325452476091
Energy: 0.5940338456428915
Energy: 0.5820324591375571
Energy: 0.5940338456368833
Energy: 0.5820325829874629
Energy: 0.5940338456655585
Energy: 0.5990477704334582
Energy: 0.6044245056613224
Energy: 0.5990477704107607
Energy: 0.6044245056666326
Energy: 0.599047770374742
Energy: 0.6044245056639928
Energy: 0.5887348027483837
Energy: 0.6348868751816584
Energy: 0.5887348027477162
Energy: 0.6348868751816584
Energy: 0.5887348027470486
Energy: 0.6348868751816584
Energy: 0.5912704191535418
Energy: 0.5982749853796865
Energy: 0.5912704191535418
Energy: 0.5982750043603698
Energy: 0.5912704191421931
Energy: 0.5982749996420536
Energy: 0.6800917456250234
Energy: 0.6200811579727346
Energy: 0.6800917456250234
Energy: 0.6200811579847508
Energy: 0.6800917456250234
Energy: 0.6200811579774076
Energy: 0.5876522693373492
Energy: 0.6170224745556534
Energy: 0.5876522693380167
Energy: 0.6170224745603263
Energy: 0.5876522693373492
Energy: 0.6170224745596588
Energy: 0.62259144728465
Energy: 0.6287032373462336
Energy: 0.62259144728465
Energy: 0.6287032373469011
Energy: 0.6225914472839823
Energy: 0.6287032373462336
Energy: 0.6024716930794308
Energy: 0.6040143427649668
Energy: 0.6024716930787632
Energy: 0.6040143427642992
Energy: 0.6024716930767606
Energy: 0.6040143427642992
Energy: 0.5968574284690248
Energy: 0.6876105071660807
Energy: 0.5968574284463273
Energy: 0.6876105071660807
Energy: 0.5968574285017055
Energy: 0.6876105071660807
Energy: 0.5761814291413906
Energy: 0.6576826223956694
Energy: 0.576181428424083
Energy: 0.6576826223943342
Energy: 0.5761814267692299
Energy: 0.657682622396337
Energy: 0.6195090770377059
Energy: 0.6606538887131339
Energy: 0.6195090770370382
Energy: 0.6606538887131339
Energy: 0.6195090770377059
Energy: 0.6606538887131339
Energy: 0.6015695029389722
Energy: 0.647388521355296
Energy: 0.601569503177842
Energy: 0.6473885213559636
Energy: 0.6015695029483182
Energy: 0.6473885213546284
Energy: 0.7021897784897733
Energy: 0.6185450377765226
Energy: 0.7021897784911084
Energy: 0.6185450377758549
Energy: 0.7021897784911084
Energy: 0.6185450377758549
Energy: 0.6420398581980178
Energy: 0.6119065913075337
Energy: 0.6420398581980178
Energy: 0.6119065913122068
Energy: 0.6420398581980178
Energy: 0.6119065913128743
Energy: 0.5732549085225711
Energy: 0.6157823033300343
Energy: 0.5732549111042585
Energy: 0.6157823026967805
Energy: 0.5732549087381061
Energy: 0.6157823029236642
Energy: 0.6514571035883716
Energy: 0.6420116734229333
Energy: 0.6514571035890392
Energy: 0.642011673424936
Energy: 0.6514571035890392
Energy: 0.6420116734222657
Energy: 0.6132291756293606
Energy: 0.6026810187641319
Energy: 0.6132291756293606
Energy: 0.6026810187654671
Energy: 0.6132291756293606
Energy: 0.6026810187668021

minimum gb energy = 0.5732549085225711 eV
minimum distance =  2.59125642314129 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.6131962348113239
Energy: 0.5633078221666056
Energy: 0.6131962348118867
Energy: 0.56330782216548
Energy: 0.6131962348107611
Energy: 0.5633078221660427
Energy: 0.5694084999627234
Energy: 0.5879814582751539
Energy: 0.5694084999638487
Energy: 0.5879814582740286
Energy: 0.5694084999694503
Energy: 0.5879814582745911
Energy: 0.6125680691435811
Energy: 0.5719844593335589
Energy: 0.6125680720734621
Energy: 0.5719844593346843
Energy: 0.6125680693646259
Energy: 0.5719844593335589
Energy: 0.671810277919661
Energy: 0.6932345064225857
Energy: 0.6718102779190982
Energy: 0.6932345064225857
Energy: 0.6718102779207864
Energy: 0.6932345064225857
Energy: 0.5847897713351555
Energy: 0.6074556317701015
Energy: 0.5847897713351555
Energy: 0.6074556317734778
Energy: 0.5847897713351555
Energy: 0.6074556317717896
Energy: 0.5796995654756014
Energy: 0.5965701216128672
Energy: 0.5796995654767269
Energy: 0.5965701227754887
Energy: 0.5796995654756014
Energy: 0.5965701205852462
Energy: 0.606388461127857
Energy: 0.585495892577888
Energy: 0.6063884611267316
Energy: 0.5854958925767626
Energy: 0.6063884611244807
Energy: 0.5854958925773253
Energy: 0.6097002674930557
Energy: 0.6046089185122407
Energy: 0.6097002674908049
Energy: 0.6046089185083017
Energy: 0.6097002674913676
Energy: 0.6046089185105525
Energy: 0.5858586219622212
Energy: 0.5986481990975873
Energy: 0.5858586219650348
Energy: 0.5986481990930855
Energy: 0.5858586219633467
Energy: 0.5986481990919601
Energy: 0.6588780999548047
Energy: 0.5753668011187544
Energy: 0.6588780999548047
Energy: 0.5753668011198542
Energy: 0.6588780999654963
Energy: 0.5753668011187544
Energy: 0.6916748674613152
Energy: 0.5697022606616301
Energy: 0.6916748674613152
Energy: 0.5697022606582537
Energy: 0.6916748674613152
Energy: 0.5697022606554402
Energy: 0.5832980004035375
Energy: 0.5973865219764858
Energy: 0.5832980004029747
Energy: 0.5973865219905536
Energy: 0.5832980003967849
Energy: 0.5973865219894282
Energy: 0.6324931638473622
Energy: 0.5992040741885357
Energy: 0.6324931638473622
Energy: 0.5992040742183596
Energy: 0.6324931638473622
Energy: 0.5992040742087935
Energy: 0.5995390215026264
Energy: 0.5803496439120764
Energy: 0.5995390215026264
Energy: 0.5803496439103883
Energy: 0.5995390215026264
Energy: 0.5803496439115138
Energy: 0.5747681645464529
Energy: 0.6014593794841725
Energy: 0.5747681645470156
Energy: 0.6014593794948385
Energy: 0.5747681645470156
Energy: 0.6014593794965267
Energy: 0.5685634479074667
Energy: 0.5645828109740602
Energy: 0.5685634479080295
Energy: 0.5645828109706839
Energy: 0.5685634479074667
Energy: 0.5645828109695584
Energy: 0.6819086475868213
Energy: 0.6888477075187008
Energy: 0.6819086475856958
Energy: 0.6888477075192636
Energy: 0.681908647587384
Energy: 0.6888477075192636
Energy: 0.6322197782305599
Energy: 0.5725931620243938
Energy: 0.6322197782344988
Energy: 0.5725931620238311
Energy: 0.632219778233936
Energy: 0.5725931620277702
Energy: 0.5987148660732555
Energy: 0.5790312643347693
Energy: 0.5987148660732555
Energy: 0.5790312643347693
Energy: 0.5987148660732555
Energy: 0.579031264327454
Energy: 0.6131962348068223
Energy: 0.5633078221626665
Energy: 0.6131962348062595
Energy: 0.5633078221626665
Energy: 0.6131962348073849
Energy: 0.5633078221626665
Energy: 0.5694084999694503
Energy: 0.5879814582734658
Energy: 0.5694084999688875
Energy: 0.5879814582734658
Energy: 0.5694084999649487
Energy: 0.5879814582734658
Energy: 0.6125680654689712
Energy: 0.5719844593386233
Energy: 0.6125680656990453
Energy: 0.5719844593386233
Energy: 0.6125680658120999
Energy: 0.5719844593374978
Energy: 0.6718102779190982
Energy: 0.6932345064299009
Energy: 0.6718102779185354
Energy: 0.6932345064293383
Energy: 0.6718102779190982
Energy: 0.6932345064287755
Energy: 0.5847897713374063
Energy: 0.6074556317740405
Energy: 0.5847897713385062
Energy: 0.6074556317740405
Energy: 0.5847897713385062
Energy: 0.6074556317701015
Energy: 0.5796995654761641
Energy: 0.5965701385616567
Energy: 0.5796995654761641
Energy: 0.596570137985129
Energy: 0.5796995654761641
Energy: 0.5965701363500309

minimum gb energy = 0.5633078221626665 eV
minimum distance =  2.60312651293078 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.5829442691461136
Energy: 0.6831101834222241
Energy: 0.5829442690101752
Energy: 0.683110183396988
Energy: 0.5829442690897909
Energy: 0.6831101833916451
Energy: 0.6262425895262772
Energy: 0.6220676239439423
Energy: 0.6262425894898695
Energy: 0.6220676239439423
Energy: 0.6262425894952125
Energy: 0.6220676239439423
Energy: 0.6327299489043611
Energy: 0.5827291700598354
Energy: 0.6327299489087105
Energy: 0.5827291700612924
Energy: 0.6327299489082248
Energy: 0.5827291700608067
Energy: 0.5641071920200503
Energy: 0.6261466888941263
Energy: 0.5641071920205362
Energy: 0.6261466888941263
Energy: 0.5641071920200503
Energy: 0.6261466888941263
Energy: 0.6111485639496133
Energy: 0.6547094429634505
Energy: 0.6111485628198033
Energy: 0.6547094429629647
Energy: 0.6111485633883513
Energy: 0.6547094429634505
Energy: 0.61364857822643
Energy: 0.5672929384770813
Energy: 0.61364857822643
Energy: 0.5672929384770813
Energy: 0.61364857822643
Energy: 0.5672929384770813
Energy: 0.5733139772122493
Energy: 0.6685945091301141
Energy: 0.5733139772132207
Energy: 0.6685945091310855
Energy: 0.5733139772112779
Energy: 0.668594509123336
Energy: 0.5962288684850335
Energy: 0.6579070606185579
Energy: 0.5962288684821192
Energy: 0.6579070605918427
Energy: 0.5962288684840622
Energy: 0.6579070605903855
Energy: 0.6176142902233234
Energy: 0.5631894900885351
Energy: 0.6176142902238091
Energy: 0.5631894900885351
Energy: 0.6176142902233234
Energy: 0.5631894900885351
Energy: 0.6114381668813682
Energy: 0.619913313754807
Energy: 0.6114381668862255
Energy: 0.6199133137572357
Energy: 0.6114381668852541
Energy: 0.6199133137572357
Energy: 0.5750108275289735
Energy: 0.6513912305555567
Energy: 0.5750108275294592
Energy: 0.6513912305584711
Energy: 0.5750108275294592
Energy: 0.6513912305536138
Energy: 0.6497602593873135
Energy: 0.5905460697727216
Energy: 0.6497602593868279
Energy: 0.5905460697732073
Energy: 0.6497602593868279
Energy: 0.5905460697722359
Energy: 0.6575918250864611
Energy: 0.6088912526137787
Energy: 0.6575918250854896
Energy: 0.6088912514572757
Energy: 0.6575918250879182
Energy: 0.6088912521428186
Energy: 0.5701483859707821
Energy: 0.6002253769443744
Energy: 0.5701483859712679
Energy: 0.6002253769448601
Energy: 0.5701483859712679
Energy: 0.6002253769448601
Energy: 0.63262494913314
Energy: 0.6005723728607645
Energy: 0.6326249491341115
Energy: 0.6005723728641648
Energy: 0.6326249491350829
Energy: 0.6005723728622218
Energy: 0.6450768632896818
Energy: 0.5672316718067475
Energy: 0.6450768632877388
Energy: 0.5672316718052902
Energy: 0.6450768632887104
Energy: 0.5672316718048045
Energy: 0.5738091751873576
Energy: 0.6383349965176964
Energy: 0.5738091751888148
Energy: 0.6383349965186679
Energy: 0.5738091751893006
Energy: 0.6383349965186679
Energy: 0.6283054242498217
Energy: 0.6175798581399402
Energy: 0.6283054242522504
Energy: 0.6175800142350193
Energy: 0.6283054242507933
Energy: 0.6175799245268707
Energy: 0.6161108317508324
Energy: 0.5732570722428406
Energy: 0.6161108317498609
Energy: 0.5732570722433264
Energy: 0.6161108317493752
Energy: 0.5732570722442979
Energy: 0.5961662847064609
Energy: 0.6376467350481821
Energy: 0.5961662847050037
Energy: 0.6376467350520679
Energy: 0.5961662847088895
Energy: 0.6376467350525535
Energy: 0.5766982460369312
Energy: 0.6340590572093832
Energy: 0.5766982460379027
Energy: 0.6340590572084118
Energy: 0.5766982460379027
Energy: 0.6340590572084118
Energy: 0.6395916731514579
Energy: 0.5650769324801381
Energy: 0.6395916733145972
Energy: 0.5650769324801381
Energy: 0.6395916735923027
Energy: 0.5650769324806239
Energy: 0.6355484278536511
Energy: 0.5971847160887254
Energy: 0.6355484279337746
Energy: 0.5971847160872682
Energy: 0.635548427738577
Energy: 0.5971847160872682
Energy: 0.6030892255778736
Energy: 0.6171749101563213
Energy: 0.603089225576902
Energy: 0.6171749101602071
Energy: 0.6030892255778736
Energy: 0.6171749101723504
Energy: 0.6342640777563142
Energy: 0.5740542617929084
Energy: 0.6342640777563142
Energy: 0.5740542617880511
Energy: 0.6342640777558284
Energy: 0.5740542617807651
Energy: 0.6625061909955026
Energy: 0.6124567990243337
Energy: 0.6625061909872452
Energy: 0.6124567990238479
Energy: 0.6625061909867594
Energy: 0.6124567990238479
Energy: 0.5826253355826522
Energy: 0.6102311194942768
Energy: 0.5826253355826522
Energy: 0.6102311194942768
Energy: 0.5826253355826522
Energy: 0.6102311194942768
Energy: 0.5992904305547767
Energy: 0.6170212301986125
Energy: 0.5992904305523481
Energy: 0.6170212302020127
Energy: 0.5992904305508908
Energy: 0.6170212302005555
Energy: 0.6465830109504207
Energy: 0.5835110822087174
Energy: 0.6465830109513921
Energy: 0.5835110822800977
Energy: 0.6465830109494493
Energy: 0.5835110822839836

minimum gb energy = 0.5631894900885351 eV
minimum distance =  2.58238673223845 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.5475407616012836
Energy: 0.613496152760372
Energy: 0.5475407616123851
Energy: 0.6134961527607989
Energy: 0.5475407616111041
Energy: 0.6134961527607989
Energy: 0.66548008940676
Energy: 0.5917843265501753
Energy: 0.6654800894050521
Energy: 0.5917843265510293
Energy: 0.665480089406333
Energy: 0.5917843265501753
Energy: 0.6076756906909366
Energy: 0.5502712943839358
Energy: 0.607675690838614
Energy: 0.5502712943860708
Energy: 0.6076756909854178
Energy: 0.5502712943899136
Energy: 0.5319432171463704
Energy: 0.6835265673986918
Energy: 0.5319432171463704
Energy: 0.6835265673982648
Energy: 0.5319432171463704
Energy: 0.6835265673986918
Energy: 0.5960785347653911
Energy: 0.6204295895421706
Energy: 0.5960785347662451
Energy: 0.6204295895519911
Energy: 0.5960785347658181
Energy: 0.6204295895404627
Energy: 0.6021740416814926
Energy: 0.5379500117048776
Energy: 0.6021740416819197
Energy: 0.5379500117053045
Energy: 0.6021740416814926
Energy: 0.5379500117053045
Energy: 0.5843407841572135
Energy: 0.665093675292486
Energy: 0.5843407841559325
Energy: 0.665093675292486
Energy: 0.5843407841555055
Energy: 0.665093675292486
Energy: 0.5525760466327637
Energy: 0.6271771434681519
Energy: 0.5525760466323367
Energy: 0.6271771436043005
Energy: 0.5525760466327637
Energy: 0.6271771435936262
Energy: 0.5978880256649592
Energy: 0.5458399450423125
Energy: 0.5978880256679481
Energy: 0.5458399450423125
Energy: 0.5978880256619704
Energy: 0.5458399450418855
Energy: 0.6266828285141735
Energy: 0.6533791308426683
Energy: 0.6266828285141735
Energy: 0.6533791308213386
Energy: 0.6266828285146006
Energy: 0.6533791308149339
Energy: 0.5226073416670732
Energy: 0.6389107113046972
Energy: 0.5226073416670732
Energy: 0.6389107113038434
Energy: 0.5226073416670732
Energy: 0.6389107113042702
Energy: 0.6866358668470931
Energy: 0.5626755403764593
Energy: 0.6866358668462391
Energy: 0.5626755403619419
Energy: 0.6866358668445313
Energy: 0.5626755404660865
Energy: 0.6159487139302954
Energy: 0.5678351540290391
Energy: 0.6159487139302954
Energy: 0.5678351540290391
Energy: 0.6159487139298685
Energy: 0.5678351540226537
Energy: 0.5599773681438545
Energy: 0.6182837624913945
Energy: 0.5599773681442815
Energy: 0.6182837624913945
Energy: 0.5599773681438545
Energy: 0.6182837624913945
Energy: 0.6523039680484936
Energy: 0.5802165050443159
Energy: 0.6523039680484936
Energy: 0.5802165050639376
Energy: 0.6523039680489205
Energy: 0.5802165050630836
Energy: 0.6405741923152318
Energy: 0.5463953571897849
Energy: 0.6405741923152318
Energy: 0.5463953571914928
Energy: 0.6405741923152318
Energy: 0.5463953571906389
Energy: 0.541605569662453
Energy: 0.6732777953621956
Energy: 0.5416055696620259
Energy: 0.6732777953634765
Energy: 0.5416055696620259
Energy: 0.6732777953626226
Energy: 0.5654500993145596
Energy: 0.6383808152405791
Energy: 0.5654500993137056
Energy: 0.6383808152444219
Energy: 0.5654500993145596
Energy: 0.6383808152418601
Energy: 0.6117542573791195
Energy: 0.5392109142607049
Energy: 0.6117542573795464
Energy: 0.5392109142611319
Energy: 0.6117542573786925
Energy: 0.5392109142607049
Energy: 0.5865991735677716
Energy: 0.6877970296090561
Energy: 0.5865991735699067
Energy: 0.6877970296030784
Energy: 0.5865991735686256
Energy: 0.6877970296103372
Energy: 0.5443633715170383
Energy: 0.6352695134082624
Energy: 0.5443633715170383
Energy: 0.6352695134074084
Energy: 0.5443633715170383
Energy: 0.6352695134078353
Energy: 0.6955726067032063
Energy: 0.550883638013286
Energy: 0.6955726067027793
Energy: 0.5508836380094433
Energy: 0.6955726067032063
Energy: 0.5508836380073083
Energy: 0.6276300024163636
Energy: 0.5983618199028212
Energy: 0.6276300024180715
Energy: 0.5983618199011133
Energy: 0.6276300024159367
Energy: 0.5983618198994053
Energy: 0.5253514243285777
Energy: 0.6187062913887331
Energy: 0.5253514243277236
Energy: 0.6187062913883061
Energy: 0.5253514243319936
Energy: 0.6187062913887331
Energy: 0.6948541907776432
Energy: 0.6179615023383938
Energy: 0.6948541907780701
Energy: 0.6179615023447984
Energy: 0.6948541907780701
Energy: 0.6179615023426634
Energy: 0.6213385349724544
Energy: 0.548659220343524
Energy: 0.6213385349724544
Energy: 0.5486592203426701
Energy: 0.6213385349724544
Energy: 0.548659220343524
Energy: 0.5670155265875493
Energy: 0.6138683454344789
Energy: 0.5670155265871224
Energy: 0.6138683454298014
Energy: 0.5670155265871224
Energy: 0.6138683454298014
Energy: 0.6241642633900634
Energy: 0.5894245520432206
Energy: 0.6241642633900634
Energy: 0.5894245520419397
Energy: 0.6241642633913443
Energy: 0.5894245520423667
Energy: 0.6089154000068007
Energy: 0.5415618571176609
Energy: 0.6089154000046657
Energy: 0.5415618571189419
Energy: 0.6089154000059467
Energy: 0.5415618571172339
Energy: 0.5774844956672991
Energy: 0.6000764010571081
Energy: 0.5774844956672991
Energy: 0.6000795969730078
Energy: 0.577484495667726
Energy: 0.6000697717127437
Energy: 0.548301373845147
Energy: 0.6039246518945582
Energy: 0.548301373845147
Energy: 0.6039246518958392
Energy: 0.548301373845147
Energy: 0.6039246518937044
Energy: 0.6139853219994293
Energy: 0.5441326805075071
Energy: 0.6139853219990022
Energy: 0.5441326805062262
Energy: 0.6139853219985753
Energy: 0.5441326805066532
Energy: 0.6604933243996105
Energy: 0.577732569847731
Energy: 0.6604933373642553
Energy: 0.577732569941201
Energy: 0.6604933046822573
Energy: 0.5777325700052095

minimum gb energy = 0.5226073416670732 eV
minimum distance =  2.59227552316821 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.011784406669739633
Energy: 0.41740873173919596
Energy: 0.011784406669739633
Energy: 0.4174087317385061
Energy: 0.011784406669739633
Energy: 0.417408731739531
Energy: 0.012758308899446319
Energy: 0.1577875081451446
Energy: 0.012758308899446319
Energy: 0.1577875081451446
Energy: 0.012758308899446319
Energy: 0.15778750814480952
Energy: 0.4582504628313435
Energy: 0.15826158225520062
Energy: 0.45825046291766963
Energy: 0.15826245608295905
Energy: 0.4582504628056822
Energy: 0.15826261161055433
Energy: 0.012758308899446319
Energy: 0.1577875081451446
Energy: 0.012758308899446319
Energy: 0.1577875081451446
Energy: 0.012758308899446319
Energy: 0.1577875081451446

minimum gb energy = 0.011784406669739633 eV
minimum distance =  2.83688713944607 Angstroms
sigma value = 1