Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450349978305028
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.020517088930838364
Energy: 0.4657888832931521
Energy: 0.4657888832931521
Energy: 0.020517088930838364
Energy: 0.46578888329467555
Energy: 0.46578888329467555
Energy: 0.020517088932361746
Energy: 0.4657888832931521
Energy: 0.46578888329467555
Energy: 0.020517088930838364
Energy: 0.46356699093103493
Energy: 0.02263961852223659
Energy: 0.46425061527560163
Energy: 0.46356699093103493
Energy: 0.02263961852223659
Energy: 0.46425061527560163
Energy: 0.46356699093103493
Energy: 0.02263961852223659
Energy: 0.46425061527560163
Energy: 0.46356699093103493
Energy: 1.2436222450942787
Energy: 0.021222474387804283
Energy: 0.7043338929686432
Energy: 1.2366534399767648
Energy: 0.021222474386280898
Energy: 0.7043338929686432
Energy: 1.2436222470799052
Energy: 0.021222474386280898
Energy: 0.7043338929686432
Energy: 1.236653440019385
Energy: 0.46356699093103493
Energy: 0.46425061527560163
Energy: 0.02263961852223659
Energy: 0.46356699093103493
Energy: 0.46425061527560163
Energy: 0.02263961852223659
Energy: 0.46356699093103493
Energy: 0.46425061527560163
Energy: 0.02263961852223659
Energy: 0.46356699093103493
Energy: 0.020517088929349604
Energy: 0.4657888832931521
Energy: 0.4657888832931521
Energy: 0.020517088929349604
Energy: 0.46578888329467555
Energy: 0.46578888329467555
Energy: 0.020517088929349604
Energy: 0.46578888329467555
Energy: 0.4657888832931521
Energy: 0.020517088929349604
Energy: 0.46356699093103493
Energy: 0.02263961852223659
Energy: 0.46425061527560163
Energy: 0.46356699093103493
Energy: 0.02263961852223659
Energy: 0.46425061527560163
Energy: 0.46356699093103493
Energy: 0.02263961852223659
Energy: 0.46425061527560163
Energy: 0.46356699093103493
Energy: 1.1446364992974774
Energy: 0.021222474387804283
Energy: 0.2754155086643848
Energy: 1.144617925253763
Energy: 0.021222474387804283
Energy: 0.2754155086643848
Energy: 1.1446511272838173
Energy: 0.021222474387804283
Energy: 0.2754155086643848
Energy: 1.1446320124247824

minimum gb energy = 0.020517088929349604 eV
minimum distance =  2.26417239293121 Angstroms
sigma value = 3


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

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Energy: 1.6032051104226042
Energy: 1.603165627765537
Energy: 1.1861077247854974
Energy: 1.6032051104263358
Energy: 1.6031656277730002
Energy: 1.287598432214002
Energy: 1.6032051104226042
Energy: 1.6031656277692685
Energy: 1.1861077247854974
Energy: 1.406365836004629
Energy: 1.2271712793393101
Energy: 1.578395100966124
Energy: 1.406365836004629
Energy: 1.2271712793355785
Energy: 1.578395100966124
Energy: 1.406365836004629
Energy: 1.2271712793355785
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Energy: 1.4063658360008977
Energy: 1.697195000741284
Energy: 1.5852530299862475
Energy: 1.637265430051754
Energy: 1.6549652255785758
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Energy: 1.697195000741284
Energy: 1.5852530299862475
Energy: 1.6372654300554856
Energy: 1.6549652255823075
Energy: 1.6307109799053223
Energy: 1.6648941529282268
Energy: 1.1877155150231293
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Energy: 1.6443229984673777
Energy: 1.6382955057659097
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Energy: 1.3823423826816383
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Energy: 1.384173453923189
Energy: 1.693787923485525
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Energy: 1.5489709368486715
Energy: 1.2241200249114315
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Energy: 1.2241200249114315
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Energy: 1.6320472986494596
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Energy: 1.7318588400352386
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Energy: 1.58058768330008
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Energy: 1.5790587148853537
Energy: 1.5805876833038115
Energy: 1.1857055445586577
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Energy: 1.5805876833038115
Energy: 1.1857055445586577
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Energy: 1.5805876833038115
Energy: 1.5616520360169823
Energy: 1.5252032035716643
Energy: 1.2270764278995219
Energy: 1.5616520360169823
Energy: 1.5252032035827912
Energy: 1.227241019318549
Energy: 1.5616520360169823
Energy: 1.5252032035716643
Energy: 1.2270764278995219
Energy: 1.5616520360169823
Energy: 1.4751893667084373
Energy: 1.7038340614672787
Energy: 1.6814574921334644
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Energy: 1.7038340614672787
Energy: 1.681457492129733
Energy: 1.4751893667084373
Energy: 1.7038340614710104
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Energy: 1.4751893667009741
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Energy: 1.6055923694163634
Energy: 1.1859516716695298
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Energy: 1.1859516716732612
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Energy: 1.7103170740824174
Energy: 1.1854707522733892
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Energy: 1.605142182332003
Energy: 1.7103179741300658
Energy: 1.1854707522771208
Energy: 1.6051421823357341
Energy: 1.6716835702162791
Energy: 1.47328427967123
Energy: 1.382119888733077
Energy: 1.6716835702162791
Energy: 1.4683526026394766
Energy: 1.382119888733077
Energy: 1.6716835702162791
Energy: 1.4732842796674983
Energy: 1.382119888733077
Energy: 1.6716835702162791
Energy: 1.1294117352646211
Energy: 1.6218562952210223
Energy: 1.6206941151211531
Energy: 1.1294117352683526
Energy: 1.6115376032845117
Energy: 1.6207037252242735
Energy: 1.1294117352720843
Energy: 1.6218562952210223
Energy: 1.6206941151248848
Energy: 1.1294117352683526
Energy: 1.583001873032507
Energy: 1.1857832177874577
Energy: 1.585951470313783
Energy: 1.58300187303997
Energy: 1.1857832177874577
Energy: 1.585951470313783
Energy: 1.5830018730362383
Energy: 1.1857832177874577
Energy: 1.585951470313783
Energy: 1.5830018730362383
Energy: 1.4617434100929427
Energy: 1.6141459337085942
Energy: 1.4746051208769269
Energy: 1.4617434100966744
Energy: 1.6141459337085942
Energy: 1.4746051208806583
Energy: 1.4617434100966744
Energy: 1.6141459337048627
Energy: 1.47460512088439
Energy: 1.4617434100966744
Energy: 1.4092314521174558
Energy: 1.5510251630737164
Energy: 1.2269226209807205
Energy: 1.4092314521174558
Energy: 1.5510251630699852
Energy: 1.2268734150530645
Energy: 1.4092314521174558
Energy: 1.5510251630699852
Energy: 1.2269226209807205
Energy: 1.4092314521211873
Energy: 1.2541273971341271
Energy: 1.6032051104226042
Energy: 1.6031656277692685
Energy: 1.1861077247854974
Energy: 1.6032051104263358
Energy: 1.6031656277692685
Energy: 1.2541273971415903
Energy: 1.6032051104226042
Energy: 1.6031656277692685
Energy: 1.1861077247818337
Energy: 1.4063658360008977
Energy: 1.2271712793355785
Energy: 1.578395100966124
Energy: 1.4063658360008977
Energy: 1.2271712793355785
Energy: 1.578395100966124
Energy: 1.4063658360008977
Energy: 1.2271712793355785
Energy: 1.578395100966124
Energy: 1.406365836004629
Energy: 1.694097795158202
Energy: 1.5852530299862475
Energy: 1.637265430051754
Energy: 1.6844776335999774
Energy: 1.5852530299862475
Energy: 1.6372654300554856
Energy: 1.6940977951544705
Energy: 1.5852530299862475
Energy: 1.637265430051754
Energy: 1.6844776335999774
Energy: 1.6307109799053223
Energy: 1.6648941529282268
Energy: 1.1877155150231293
Energy: 1.6307109799090536
Energy: 1.6648941529244958
Energy: 1.1877155150193976
Energy: 1.6307109799053223
Energy: 1.6648941529282268
Energy: 1.1877155150231293
Energy: 1.6307109799053223

minimum gb energy = 1.1275989912421591 eV
minimum distance =  2.19617232124159 Angstroms
sigma value = 75


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

Energy: 1.411827477583877
Energy: 1.2080473600295887
Energy: 1.2091555607115634
Energy: 1.3174165948364225
Energy: 1.2080473600277677
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minimum gb energy = 1.2048136413403145 eV
minimum distance =  2.19478427246246 Angstroms
sigma value = 105


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

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Energy: 1.3727675950175473
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Energy: 1.5869426046743818
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Energy: 1.5869426046702735
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Energy: 1.5110592250696298
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Energy: 1.3522970802101548
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Energy: 1.4200880646842482
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Energy: 1.6019539728252652
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Energy: 1.6019539728293735
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Energy: 1.5402305900659892
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Energy: 1.4531588725775193
Energy: 1.4892068553766562
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Energy: 1.4892068553766562
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Energy: 1.4531588725775193
Energy: 1.5778420512474571
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Energy: 1.369784115117784
Energy: 1.577852500873823
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Energy: 1.369784115119838
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Energy: 1.509611668594571
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Energy: 1.528238772067267
Energy: 1.4598643831722518
Energy: 1.467703708503801
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Energy: 1.573245158650898
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Energy: 1.600558482407591
Energy: 1.5864315398615123
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Energy: 1.600558482409645
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Energy: 1.5191683322477407
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Energy: 1.3694368154983783
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Energy: 1.4715414327486538
Energy: 1.5240638122622967
Energy: 1.4554723990363359
Energy: 1.471541432750708
Energy: 1.5240638122397014
Energy: 1.4554723990383902
Energy: 1.4715414327548164
Energy: 1.524063812268459
Energy: 1.4554723990342822
Energy: 1.471541432750708
Energy: 1.387096141956479
Energy: 1.5236205398806264
Energy: 1.5785010148388159
Energy: 1.387096141956479
Energy: 1.523620539878572
Energy: 1.5785010148408696
Energy: 1.387096141958533
Energy: 1.5236205398806264
Energy: 1.5785010148408696
Energy: 1.387096141956479
Energy: 1.445574750509024
Energy: 1.4902529801590434
Energy: 1.455446807150829
Energy: 1.445574750509024
Energy: 1.490123033596938
Energy: 1.4554468072822186
Energy: 1.445574750509024
Energy: 1.4902529801590434
Energy: 1.4554468073602382
Energy: 1.4455747505110783
Energy: 1.5535170583414002
Energy: 1.4913641415865617
Energy: 1.6004328074040177
Energy: 1.5535170583434172
Energy: 1.4913662596409099
Energy: 1.6004328074040177
Energy: 1.5535170583434172
Energy: 1.4913641415865617
Energy: 1.6004328074060719
Energy: 1.5535170583414002
Energy: 1.5001363932244325
Energy: 1.491438975157709
Energy: 1.4187436887417795
Energy: 1.5001363932223784
Energy: 1.491438975157709
Energy: 1.4187436887417795
Energy: 1.5001363932223784
Energy: 1.491438975157709
Energy: 1.4187436887417795
Energy: 1.5001363932244325
Energy: 1.4147305072457463
Energy: 1.5250668415844668
Energy: 1.4503638153867373
Energy: 1.4147305072478007
Energy: 1.5251702246468257
Energy: 1.4503638153867373
Energy: 1.4147305072478007
Energy: 1.5250668415824127
Energy: 1.4503638153887914
Energy: 1.4147305072457463
Energy: 1.509731674459985
Energy: 1.4374157327599482
Energy: 1.5908111565562777
Energy: 1.509731674459985
Energy: 1.4373445193669665
Energy: 1.590811156554224
Energy: 1.509731674459985
Energy: 1.4374157327599482
Energy: 1.590811156554224
Energy: 1.509731674462039
Energy: 1.5413648704295941
Energy: 1.3717158304248207
Energy: 1.5709545034111656
Energy: 1.5413648704295941
Energy: 1.3717156396521444
Energy: 1.5709545034091486
Energy: 1.5413648704275398
Energy: 1.3717158304248207
Energy: 1.5709545034091486
Energy: 1.5413648704295941

minimum gb energy = 1.3522970802101548 eV
minimum distance =  2.17741435819338 Angstroms
sigma value = 165


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

Energy: 1.3460423064347469
Energy: 1.4513623603716328
Energy: 1.451411679486681
Energy: 1.3460423064347469
Energy: 1.451362360241237
Energy: 1.4514116794824496
Energy: 1.3460423064347469
Energy: 1.4513623603744537
Energy: 1.4514116794845653
Energy: 1.346042306435452
Energy: 1.543779270637967
Energy: 1.3452284481554346
Energy: 1.5960107726010162
Energy: 1.543779270637967
Energy: 1.3452284485981014
Energy: 1.5960107725087003
Energy: 1.5437792706372617
Energy: 1.345228448226659
Energy: 1.5960107725841557
Energy: 1.543779270638672
Energy: 1.389021721993642
Energy: 1.4185717632493966
Energy: 1.3044394796529288
Energy: 1.3890217219957575
Energy: 1.4185717632508072
Energy: 1.3044394795126601
Energy: 1.389021721993642
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Energy: 1.3044394829383426
Energy: 1.3890217219957575
Energy: 1.5932224048552193
Energy: 1.6216661802394003
Energy: 1.3636404048087998
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Energy: 1.3753031310471788
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Energy: 1.3776004635602395
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Energy: 1.389711656999869
Energy: 1.6489534647101278
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Energy: 1.4422307809278025
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Energy: 1.4368705639758483
Energy: 1.4108990805329622
Energy: 1.4422307809249817
Energy: 1.4520429081826316
Energy: 1.4497387096325542
Energy: 1.3901686582134598
Energy: 1.4520429081833368
Energy: 1.4497387096276177
Energy: 1.3901686582134598
Energy: 1.4520429081833368
Energy: 1.4497387096304388
Energy: 1.3901686582134598
Energy: 1.4520429081833368
Energy: 1.3896916057749509
Energy: 1.5951749077978303
Energy: 1.648519229933652
Energy: 1.3896916057721942
Energy: 1.5951749077971253
Energy: 1.648519229933652
Energy: 1.3896916057763613
Energy: 1.59517490779642
Energy: 1.648519229933652
Energy: 1.3896916057721942
Energy: 1.3754539498352445
Energy: 1.3775436661702072
Energy: 1.3887186980312825
Energy: 1.3754539498345393
Energy: 1.3775436661687968
Energy: 1.3887186980319877
Energy: 1.3754539498359497
Energy: 1.3775436661702072
Energy: 1.3887186980319877
Energy: 1.375453949833834
Energy: 1.5928759884302806
Energy: 1.363628822053152
Energy: 1.6220047129641098
Energy: 1.592875988431691
Energy: 1.3636288220538573
Energy: 1.622004713289779
Energy: 1.5928759884302806
Energy: 1.3636288220538573
Energy: 1.62200471298315
Energy: 1.5928759884309858
Energy: 1.3889449548010901
Energy: 1.3042210596576043
Energy: 1.4185363785453315
Energy: 1.3889449547989747
Energy: 1.3042210597034418
Energy: 1.4185363785453315
Energy: 1.388944954800385
Energy: 1.3042210596667718
Energy: 1.4185363785460365
Energy: 1.3889449547982695
Energy: 1.544005348398751
Energy: 1.5963665773328186
Energy: 1.3456134963914648
Energy: 1.544005348398751
Energy: 1.596366577329998
Energy: 1.3456134964655093
Energy: 1.5440053483980458
Energy: 1.5963665773321134
Energy: 1.345613496418967
Energy: 1.544005348398751
Energy: 1.3460423064326312
Energy: 1.4513623602123242
Energy: 1.4514116794831549
Energy: 1.3460423064340417
Energy: 1.4513623603357324
Energy: 1.4514116794902068
Energy: 1.3460423064326312
Energy: 1.4513623602440577
Energy: 1.4514116794845653
Energy: 1.3460423064340417

minimum gb energy = 1.3042210596576043 eV
minimum distance =  2.26217110749857 Angstroms
sigma value = 41


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

Energy: 1.5218482751597322
Energy: 1.3133178846013747
Energy: 1.3135400053666337
Energy: 1.4385370045898924
Energy: 1.3133178846068467
Energy: 1.3135400053666337
Energy: 1.5218482751569964
Energy: 1.3133178846068467
Energy: 1.3135400053638977
Energy: 1.4385370045898924
Energy: 1.5992308998630385
Energy: 1.205642371003241
Energy: 1.345133846318789
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Energy: 1.205642371000505
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Energy: 1.345133846318789
Energy: 1.5992308998603022
Energy: 1.4458986131990146
Energy: 1.2596426947643558
Energy: 1.3951249368284693
Energy: 1.4051597687073034
Energy: 1.2596426947643558
Energy: 1.4009265351080298
Energy: 1.4458986131990146
Energy: 1.2596426947588837
Energy: 1.3951249368339413
Energy: 1.4051597687100394
Energy: 1.2178786011792657
Energy: 1.2177191101755565
Energy: 1.2859652999610118
Energy: 1.217878601693449
Energy: 1.2177191101618758
Energy: 1.2876390211271989
Energy: 1.2178786014609821
Energy: 1.2177191101919727
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Energy: 1.2178786016195753
Energy: 1.2467653998407944
Energy: 1.3955877575080515
Energy: 1.2882624890104581
Energy: 1.2467653998407944
Energy: 1.3955877575080515
Energy: 1.2883779498460004
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Energy: 1.3955877575080515
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Energy: 1.2467653998407944
Energy: 1.252715409865801
Energy: 1.5099817574837433
Energy: 1.3482244611296863
Energy: 1.252715409865801
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Energy: 1.252715409863065
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Energy: 1.3482244611378946
Energy: 1.252715409865801
Energy: 1.3864312420227156
Energy: 1.2625032064079058
Energy: 1.321687410100221
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Energy: 1.2625032064106416
Energy: 1.321687410100221
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Energy: 1.2625032064133777
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Energy: 1.188285755413399
Energy: 1.3769955052000002
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Energy: 1.5200465579219933
Energy: 1.4922991110534707
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Energy: 1.3155104227532797
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Energy: 1.3435673130777102
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Energy: 1.2682639371262008
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Energy: 1.2587200462860952
Energy: 1.3616684932324103
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Energy: 1.3473400517190504
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Energy: 1.2587200462860952
Energy: 1.416913607655773
Energy: 1.2457170826123896
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Energy: 1.3127118750341462
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Energy: 1.2639843201097356
Energy: 1.3149619032598394
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Energy: 1.2639843201124714
Energy: 1.2581603954667389
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Energy: 1.2378069681512627
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Energy: 1.286804571550183
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Energy: 1.318265556974216
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Energy: 1.3275052878470928
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Energy: 1.4880258372558892
Energy: 1.414578411843866
Energy: 1.3517565694838052
Energy: 1.358646090060588
Energy: 1.4146871216571348
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Energy: 1.2445617991207985
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Energy: 1.313387092744233
Energy: 1.2445515978805342
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Energy: 1.2445515978832702
Energy: 1.497086913163167
Energy: 1.2453188075820485
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Energy: 1.497086913160431
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Energy: 1.497086913165903
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Energy: 1.2681421046732302
Energy: 1.268002854877884
Energy: 1.2296556151000189
Energy: 1.2681421046759664
Energy: 1.26800285488062
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Energy: 1.2296556151000189
Energy: 1.2681421046787025
Energy: 1.2835485750359446
Energy: 1.2937574966947583
Energy: 1.2592266898981146
Energy: 1.2835485750386808
Energy: 1.2937574966974943
Energy: 1.2592266898981146
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Energy: 1.2937574966974943
Energy: 1.2592266898953786
Energy: 1.2835485750386808
Energy: 1.522139638401343
Energy: 1.3829457655310229
Energy: 1.3495689888690365
Energy: 1.4496358403788365
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Energy: 1.5221396383986072
Energy: 1.3829457655310229
Energy: 1.3495689888717726
Energy: 1.4496358403788365
Energy: 1.4807980158535354
Energy: 1.2080023746089572
Energy: 1.3484827048751957
Energy: 1.4807980158562715
Energy: 1.2080023746144295
Energy: 1.3484827048779318
Energy: 1.4807980158562715
Energy: 1.2080023746116935
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Energy: 1.4807980158562715
Energy: 1.3015841555807404
Energy: 1.3488506441168198
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Energy: 1.233300105506989
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Energy: 1.348850644119556
Energy: 1.2332690907117514
Energy: 1.301584155578004
Energy: 1.3727576005880586
Energy: 1.5527149501603577
Energy: 1.2454075792479764
Energy: 1.3727576005907949
Energy: 1.5527149501576216
Energy: 1.2453669481777747
Energy: 1.3727576005907949
Energy: 1.5527149501576216
Energy: 1.2454075792507122
Energy: 1.3727576005907949
Energy: 1.287983583566204
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Energy: 1.2469734411144495
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Energy: 1.2469734411171858
Energy: 1.287983583566204
Energy: 1.471891686457253
Energy: 1.2469734411144495
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Energy: 1.2584206290786486
Energy: 1.2153377958964573
Energy: 1.2225726487870319
Energy: 1.2584206290786486
Energy: 1.2153377958937213
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Energy: 1.2584206290786486
Energy: 1.2153377958909855
Energy: 1.2225726487870319
Energy: 1.2584206290759123
Energy: 1.3167748744095151
Energy: 1.377190047233488
Energy: 1.2989401556029931
Energy: 1.3167748744122514
Energy: 1.377190047230752
Energy: 1.2989401556002569
Energy: 1.3167748744095151
Energy: 1.377190047233488
Energy: 1.2989401556029931
Energy: 1.3167748744095151
Energy: 1.417268284874796
Energy: 1.2051070985093468
Energy: 1.4424595086054288
Energy: 1.41726828487206
Energy: 1.2051070985093468
Energy: 1.4424595086054288
Energy: 1.41726828487206
Energy: 1.205107098514819
Energy: 1.4424595086054288
Energy: 1.41726828487206
Energy: 1.3135511818315602
Energy: 1.3106246851219023
Energy: 1.4812393822723307
Energy: 1.3135511818315602
Energy: 1.3106246851219023
Energy: 1.4397464292476132
Energy: 1.3135511818315602
Energy: 1.3106246851219023
Energy: 1.4812393822723307
Energy: 1.3135511818315602
Energy: 1.2063589843390827
Energy: 1.353158113825905
Energy: 1.250488579170654
Energy: 1.2063589843390827
Energy: 1.3476290699091729
Energy: 1.2250081673012831
Energy: 1.2063589843363465
Energy: 1.353158113825905
Energy: 1.250488579170654
Energy: 1.2063589843363465
Energy: 1.2594972961252957
Energy: 1.2685013717770413
Energy: 1.2680024163536177
Energy: 1.2594972961280317
Energy: 1.2682488409876627
Energy: 1.2677517927508064
Energy: 1.2594972961307676
Energy: 1.2685013717770413
Energy: 1.2680024163508816
Energy: 1.2594972961280317
Energy: 1.225625142707211
Energy: 1.2844178393816046
Energy: 1.2178570632056522
Energy: 1.225625142704475
Energy: 1.2844046509356086
Energy: 1.217857063727994
Energy: 1.2256251427017388
Energy: 1.2844178393761325
Energy: 1.2178570635694013
Energy: 1.225625142707211
Energy: 1.4031148347582814
Energy: 1.256831996196953
Energy: 1.2673225807226058
Energy: 1.4031148347582814
Energy: 1.2565428062632489
Energy: 1.2673225807253417
Energy: 1.4031148347610174
Energy: 1.256831996196953
Energy: 1.2673225807253417
Energy: 1.4031148347610174
Energy: 1.512097268190069
Energy: 1.348211693994746
Energy: 1.2488876733553707
Energy: 1.512097268190069
Energy: 1.348211693997482
Energy: 1.2488876733553707
Energy: 1.512097268192805
Energy: 1.348211693994746
Energy: 1.2488876733526348
Energy: 1.512097268190069

minimum gb energy = 1.1882481398793692 eV
minimum distance =  2.19397012930233 Angstroms
sigma value = 185


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

Energy: 0.9308707197528452
Energy: 0.7100688688020824
Energy: 0.7097078155914645
Energy: 0.5503360213905434
Energy: 0.7100688688014329
Energy: 0.709707815587567
Energy: 0.9308707197508964
Energy: 0.7100688688017872
Energy: 0.7097078155859726
Energy: 0.5503360213905434
Energy: 0.8350663052277164
Energy: 0.7001250359810683
Energy: 0.8975193352393348
Energy: 0.7973050908656065
Energy: 0.700125035982013
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Energy: 0.8350663052277164
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Energy: 0.8975193352370319
Energy: 0.7973050908682048
Energy: 0.6052980762484074
Energy: 0.7823926933264249
Energy: 0.8138355319093379
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Energy: 0.7614370385100192
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Energy: 0.7102177999794678
Energy: 0.8558915642979567
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Energy: 0.8194387476814062
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Energy: 0.8979453136663519
Energy: 0.7101979072362938
Energy: 0.7370880975672773
Energy: 0.6627218005745408
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Energy: 0.6624968035684728
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Energy: 0.9641552952578787
Energy: 0.9586005540384384
Energy: 0.786779677252949
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Energy: 0.9423750248782615
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Energy: 0.7100242912731134
Energy: 0.8222598209649976
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Energy: 0.7218034506491737
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Energy: 0.8669707678970177
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Energy: 0.8669707678953642
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Energy: 0.7024025036221104
Energy: 0.5503282191141409
Energy: 0.552526487041028
Energy: 0.7374030813402144
Energy: 0.7151076894729583
Energy: 0.7139995225430206
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Energy: 0.5503282191121922
Energy: 0.5525264870407328
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Energy: 0.7151076894732534
Energy: 0.8044722707239628
Energy: 0.9130880237303668
Energy: 0.7375520923218216
Energy: 0.8044722707233132
Energy: 0.9130880237303668
Energy: 0.7375520923218216
Energy: 0.8044722707207149
Energy: 0.9130880237281228
Energy: 0.737552092321172
Energy: 0.8044722707236674
Energy: 0.6601574120192684
Energy: 0.710068868802732
Energy: 0.7097078155914645
Energy: 0.5503360213908977
Energy: 0.7100688688011376
Energy: 0.7097078155882165
Energy: 0.6601574120179692
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Energy: 0.7097078155862679
Energy: 0.5503360213908977
Energy: 0.7973050908682048
Energy: 0.700125035982013
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Energy: 0.7973050908672601
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Energy: 1.0706809883031836
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Energy: 0.7823926933267793
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Energy: 0.7151835711081037
Energy: 0.7823926933257753
Energy: 0.5520930414367888
Energy: 0.5503491394597719
Energy: 0.7823926933251257
Energy: 0.6725763493346858
Energy: 0.7151835711087532
Energy: 0.8979453136692455
Energy: 0.7102177999781686
Energy: 0.8558915642976023
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Energy: 0.8194387476820558
Energy: 0.8979453136663519
Energy: 0.7102177999801175
Energy: 0.8558915642963032
Energy: 0.8979453136672968
Energy: 0.7101979072346404
Energy: 0.7370880975666277
Energy: 0.6057807060376109
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Energy: 0.7370880975663325
Energy: 0.7214306595140636
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Energy: 0.7370880975676316
Energy: 0.6057807060389101
Energy: 0.710197907237593
Energy: 0.9641552952565795
Energy: 0.9659565577636748
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Energy: 0.9641552952559299
Energy: 0.9423817592658146
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Energy: 0.9659565577662732
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Energy: 0.7100242912734088
Energy: 0.7879455470352779
Energy: 0.9140914181695349
Energy: 0.7100242912708105
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Energy: 0.9140914181682357
Energy: 0.7100242912701609
Energy: 0.7879455470381715
Energy: 0.9140914181679405
Energy: 0.7100242912705151
Energy: 0.9596338861931616
Energy: 0.662589166247677
Energy: 0.6991048541926327
Energy: 0.9596338861938112
Energy: 0.6625846430546521
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Energy: 0.9596338861948152
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Energy: 0.6991048541952309
Energy: 0.9596338861944608
Energy: 0.702402503620516
Energy: 0.8669707678953642
Energy: 0.7099558976207144
Energy: 0.6178224835104509
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Energy: 0.709955897617821
Energy: 0.702402503621461
Energy: 0.8669707678944193
Energy: 0.7099558976204192
Energy: 0.6178224835113957
Energy: 0.6052694738835146
Energy: 0.6361921140492665
Energy: 0.737403081340864
Energy: 0.7612142312217102
Energy: 0.750062276241096
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Energy: 0.605269473879617
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Energy: 0.9308707197508964
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Energy: 0.9308707197508964
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Energy: 0.5503360213905434
Energy: 0.8350663052277164
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Energy: 0.8975193352389805
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Energy: 0.8975193352350831
Energy: 0.7973050908669057
Energy: 0.6052980762487025
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Energy: 0.6098364427907864
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Energy: 0.7823926933251257
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Energy: 0.710217799978523
Energy: 0.8558915642969527
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Energy: 0.8194387476824101
Energy: 0.8979453136650528
Energy: 0.7102177999798222
Energy: 0.8558915642963032
Energy: 0.8979453136666472
Energy: 0.7101979072356442
Energy: 0.7370880975689308
Energy: 0.6627218005735961
Energy: 0.7101979072359396
Energy: 0.7370880975663325
Energy: 0.6624968035691224
Energy: 0.710197907236589
Energy: 0.737088097565978
Energy: 0.6627218005774934
Energy: 0.710197907237593
Energy: 0.9641552952559299
Energy: 0.9586005540380841
Energy: 0.7867796772539528
Energy: 0.9641552952559299
Energy: 0.9423750248776119
Energy: 0.8236859717540262
Energy: 0.9641552952585282
Energy: 0.9586005540393832
Energy: 0.7867796772539528
Energy: 0.9641552952575834
Energy: 0.7100242912721096
Energy: 0.8222598209646435
Energy: 0.9140914181692397
Energy: 0.7100242912705151
Energy: 0.787945547037522
Energy: 0.9140914181679405
Energy: 0.7100242912695113
Energy: 0.8222598209662969
Energy: 0.9140914181672909
Energy: 0.7100242912695113
Energy: 0.9596338861931616
Energy: 0.7218034506501186
Energy: 0.6991048541926327
Energy: 0.9596338861928664
Energy: 0.6058561691079478
Energy: 0.6991048541932823
Energy: 0.95963388619576
Energy: 0.7218034506511225
Energy: 0.6991048541962348
Energy: 0.9596338861954647
Energy: 0.7024025036218153
Energy: 0.8669707678960138
Energy: 0.7099558976204192
Energy: 0.7024025036234096
Energy: 0.8669707678966633
Energy: 0.7099558976174666
Energy: 0.702402503621461
Energy: 0.8669707678957185
Energy: 0.7099558976217183
Energy: 0.7024025036231144
Energy: 0.5503282191147905
Energy: 0.5525264870420319
Energy: 0.737403081340864
Energy: 0.7151076894729583
Energy: 0.7139995225427255
Energy: 0.7374030813392105
Energy: 0.5503282191111883
Energy: 0.5525264870407328
Energy: 0.7374030813369665
Energy: 0.715107689473903
Energy: 0.8044722707220141
Energy: 0.9130880237307213
Energy: 0.7375520923224711
Energy: 0.804472270723018
Energy: 0.9130880237297173
Energy: 0.7375520923221167
Energy: 0.8044722707223683
Energy: 0.9130880237281228
Energy: 0.7375520923214671
Energy: 0.8044722707226636

minimum gb energy = 0.5503282191111883 eV
minimum distance =  2.31733511785137 Angstroms
sigma value = 33


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

Energy: 1.24117837051699
Energy: 1.2670788214970927
Energy: 1.2557373172766113
Energy: 1.24117837051699
Energy: 1.2670788214970927
Energy: 1.2557373172748283
Energy: 1.24117837051699
Energy: 1.2670788214970927
Energy: 1.2557373172766113
Energy: 1.24117837051699
Energy: 1.2604792798161621
Energy: 1.2029806631742046
Energy: 1.23930314257759
Energy: 1.2604792798161621
Energy: 1.2029806631742046
Energy: 1.239303142575807
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Energy: 1.2029806631742046
Energy: 1.23930314257759
Energy: 1.2604792798179452
Energy: 1.252636895688064
Energy: 1.1813597814920778
Energy: 1.2341612257545538
Energy: 1.252636895682715
Energy: 1.1813597814920778
Energy: 1.2345572886504375
Energy: 1.252636895686281
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Energy: 1.2341612257563368
Energy: 1.252636895686281
Energy: 1.302822664674114
Energy: 1.1436571852166781
Energy: 1.3279955189868478
Energy: 1.302822664674114
Energy: 1.1436571852184612
Energy: 1.3279955189868478
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Energy: 1.1436571852166781
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Energy: 1.3028226646758971
Energy: 1.307267685486394
Energy: 1.2112761281704667
Energy: 1.1796352778435995
Energy: 1.307267685484611
Energy: 1.2112761281704667
Energy: 1.1796352778453825
Energy: 1.307267685484611
Energy: 1.2112761281704667
Energy: 1.1796352778418164
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Energy: 1.1871828291689428
Energy: 1.2784868697416576
Energy: 1.2596475811902075
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Energy: 1.2159663269743033
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Energy: 1.3095130566122233
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Energy: 1.244207976912015
Energy: 1.2439564597195996
Energy: 1.2972016658717112
Energy: 1.2139993165892224
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Energy: 1.2972016658717112
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Energy: 1.2972016658734618
Energy: 1.2139993165892224
Energy: 1.2439564597195996
Energy: 1.1505739025669168
Energy: 1.2021921220202267
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Energy: 1.1505739025651338
Energy: 1.2021921220220098
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Energy: 1.2021921220202267
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Energy: 1.1505739025669168
Energy: 1.1810862575327752
Energy: 1.2012744943710396
Energy: 1.2449175348701595
Energy: 1.1810862575327752
Energy: 1.2012744943728226
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Energy: 1.1810862575345256
Energy: 1.2012744943692566
Energy: 1.2449175348701595
Energy: 1.1810862575327752
Energy: 1.1544080779761754
Energy: 1.2515536255794724
Energy: 1.2033829246498657
Energy: 1.1544080779761754
Energy: 1.2515536255812554
Energy: 1.2033829246516488
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Energy: 1.2515536255794724
Energy: 1.2033829246516488
Energy: 1.1544080779761754
Energy: 1.2617086779166642
Energy: 1.2092091787846795
Energy: 1.2553768278437158
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Energy: 1.2092091787828965
Energy: 1.2553768278437158
Energy: 1.2617086779166642
Energy: 1.2092091787846795
Energy: 1.2553768278437158
Energy: 1.2617086779184472
Energy: 1.225548873495409
Energy: 1.256774322794443
Energy: 1.1941062323257374
Energy: 1.225548873491843
Energy: 1.25677432279266
Energy: 1.1941062323239544
Energy: 1.225548873495409
Energy: 1.256774322794443
Energy: 1.1941062323257374
Energy: 1.225548873493626
Energy: 1.230384947226031
Energy: 1.3278716226161968
Energy: 1.1900425408439441
Energy: 1.2303849472295971
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Energy: 1.3278716226161968
Energy: 1.1900425408439441
Energy: 1.2303849472295971
Energy: 1.3111763462354789
Energy: 1.2616372217569503
Energy: 1.1657324814869108
Energy: 1.311176346233696
Energy: 1.2616372217605163
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Energy: 1.1921155708479039
Energy: 1.175264202717333
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Energy: 1.1921155708479039
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Energy: 1.2682845925890855
Energy: 1.223848666511748
Energy: 1.2792032459181852
Energy: 1.237656494796237
Energy: 1.2238486665099653
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Energy: 1.23765649479802
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Energy: 1.237656494796237
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Energy: 1.2366812222781483
Energy: 1.1804587582655042
Energy: 1.3192202560256867
Energy: 1.2366812222799313
Energy: 1.1804587594649347

minimum gb energy = 1.1252422436700256 eV
minimum distance =  2.20118077538827 Angstroms
sigma value = 219


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

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Energy: 1.3845761126902727
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Energy: 1.7567155401638324
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Energy: 1.7567155401638324
Energy: 1.5374052623678915
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Energy: 1.7567155401638324
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Energy: 1.4632847418640795
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Energy: 1.4722518794212045
Energy: 1.5387830055015428
Energy: 1.4632847418640795
Energy: 1.4722518794212045
Energy: 1.5387830055003626
Energy: 1.4632847418640795

minimum gb energy = 1.3738728245667131 eV
minimum distance =  2.24451970269753 Angstroms
sigma value = 15


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

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Energy: 1.5811360682878137
Energy: 1.7641098692794783
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minimum gb energy = 1.5178063226476013 eV
minimum distance =  2.17359168400065 Angstroms
sigma value = 293


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

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Energy: 1.5298031583897047
Energy: 1.5175949416870076
Energy: 1.5355631904838676
Energy: 1.6058435793385346
Energy: 1.6383748903581272
Energy: 1.5398156208176539
Energy: 1.6058435793385346
Energy: 1.6383748903581272
Energy: 1.5398156208176539
Energy: 1.6058435793385346
Energy: 1.6383748903607926
Energy: 1.5398156208176539
Energy: 1.6058435793385346
Energy: 1.5432083208748688
Energy: 1.5747432981202893
Energy: 1.5748597319839217
Energy: 1.5432083208748688
Energy: 1.574743298117624
Energy: 1.5748597319839217
Energy: 1.5432083208748688
Energy: 1.5747432981202893
Energy: 1.5748597319839217
Energy: 1.5432083208748688
Energy: 1.6059037430257976
Energy: 1.5398511281569662
Energy: 1.6386324320835397
Energy: 1.6059037430257976
Energy: 1.5398511281569662
Energy: 1.6386324320835397
Energy: 1.6059037430257976
Energy: 1.5398511281569662
Energy: 1.6386324320835397
Energy: 1.6059037430257976
Energy: 1.5353299740870163
Energy: 1.5175589395770508
Energy: 1.529769852365793
Energy: 1.5353299740870163
Energy: 1.5175589395743851
Energy: 1.5297698523684584
Energy: 1.5353299740870163
Energy: 1.5175589395743851
Energy: 1.529769852365793
Energy: 1.5353299740870163
Energy: 1.590254675826009
Energy: 1.5119002781920765
Energy: 1.5740719082247911
Energy: 1.590254675826009
Energy: 1.511900278189411
Energy: 1.5740719082247911
Energy: 1.590254675826009
Energy: 1.5119002781920765
Energy: 1.5740719082247911
Energy: 1.590254675826009
Energy: 1.7342094349929547
Energy: 1.5113099606156812
Energy: 1.5205643417347203
Energy: 1.7342094349929547
Energy: 1.5113099606156812
Energy: 1.5205643417347203
Energy: 1.7342094349929547
Energy: 1.5113099606156812
Energy: 1.5205643417347203
Energy: 1.73420943499562
Energy: 1.641139001715624
Energy: 1.642138414153
Energy: 1.6647765076297891
Energy: 1.641139001715624
Energy: 1.642138414153
Energy: 1.6647765076297891
Energy: 1.641139001715624
Energy: 1.642138414153
Energy: 1.664776507627124
Energy: 1.641139001715624
Energy: 1.511358066636703
Energy: 1.7057327642952775
Energy: 1.5274685202993494
Energy: 1.511358066636703
Energy: 1.7057327642952775
Energy: 1.5274685202993494
Energy: 1.511358066636703
Energy: 1.7057327642952775
Energy: 1.5274685203020149
Energy: 1.511358066636703
Energy: 1.7074679372731336
Energy: 1.578002456172385
Energy: 1.5782037867517211
Energy: 1.7074679372704684
Energy: 1.578002456172385
Energy: 1.5782037867517211
Energy: 1.7074679372731336
Energy: 1.578002456172385
Energy: 1.5782037867517211
Energy: 1.7074679372704684
Energy: 1.5131202288134222
Energy: 1.6936435348699264
Energy: 1.7053950899905144
Energy: 1.5131202288160877
Energy: 1.6936435348699264
Energy: 1.7053950899905144
Energy: 1.5131202288134222
Energy: 1.6936435348699264
Energy: 1.7053950899905144
Energy: 1.5131202288134222
Energy: 1.6285383783575371
Energy: 1.6648157821417522
Energy: 1.6420853389867354
Energy: 1.6285383783548717
Energy: 1.6648157821417522
Energy: 1.6420853389867354
Energy: 1.6285383783575371
Energy: 1.6648157821417522
Energy: 1.6420853389867354
Energy: 1.6285383783575371
Energy: 1.7343645865810458
Energy: 1.5206901368214865
Energy: 1.511445317959489
Energy: 1.7343645865810458
Energy: 1.5206901368214865
Energy: 1.511445317959489
Energy: 1.7343645865810458
Energy: 1.5206901368214865
Energy: 1.5114453179621545
Energy: 1.7343645865810458
Energy: 1.5901813607217612
Energy: 1.5727488218680308
Energy: 1.5124114405392208
Energy: 1.5901813607217612
Energy: 1.5727488218706962
Energy: 1.5124114405365559
Energy: 1.5901813607217612
Energy: 1.5727488218706962
Energy: 1.5124114405392208
Energy: 1.5901813607217612

minimum gb energy = 1.5113099606156812 eV
minimum distance =  2.18051030063409 Angstroms
sigma value = 293


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

Energy: 1.5216042107303405
Energy: 1.5227728983175524
Energy: 1.5225948318136526
Energy: 1.521604210731304
Energy: 1.522772898316589
Energy: 1.5225948318131708
Energy: 1.521604210730822
Energy: 1.522772898316107
Energy: 1.5225948318141345
Energy: 1.521604210731304
Energy: 1.520056878686738
Energy: 1.5221159949851637
Energy: 1.52229260705008
Energy: 1.520056878686738
Energy: 1.522115994984682
Energy: 1.522292607049598
Energy: 1.520056878686738
Energy: 1.5221159949851637
Energy: 1.52229260705008
Energy: 1.5200568786877013
Energy: 1.5202570657741552
Energy: 1.520254441939553
Energy: 1.6026311280603718
Energy: 1.520257065774637
Energy: 1.520254441940998
Energy: 1.6026952795529785
Energy: 1.5202570657741552
Energy: 1.5202544419400346
Energy: 1.6026833282752841
Energy: 1.520257065774637
Energy: 1.602681094900835
Energy: 1.5203455740681102
Energy: 1.5202081701396597
Energy: 1.6026515147375926
Energy: 1.520345574067147
Energy: 1.5202081701391779
Energy: 1.6026815535228862
Energy: 1.5203455740681102
Energy: 1.5202081701396597
Energy: 1.602643062766474
Energy: 1.52227748868345
Energy: 1.5219860244945878
Energy: 1.520182029858781
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Energy: 1.521986024494106
Energy: 1.520182029858781
Energy: 1.52227748868345
Energy: 1.5219860244945878
Energy: 1.520182029858781
Energy: 1.5222774886844133
Energy: 1.5227728983156255
Energy: 1.5225948318141345
Energy: 1.5216042107303405
Energy: 1.5227728983170707
Energy: 1.5225948318136526
Energy: 1.521604210731304
Energy: 1.522772898316589
Energy: 1.522594831815098
Energy: 1.521604210730822
Energy: 1.522772898316589
Energy: 1.5221159949851637
Energy: 1.522292607049598
Energy: 1.5200568786872195
Energy: 1.5221159949856455
Energy: 1.52229260705008
Energy: 1.5200568786872195
Energy: 1.5221159949851637
Energy: 1.522292607049598
Energy: 1.5200568786877013
Energy: 1.5221159949856455
Energy: 1.520254441940998
Energy: 1.6026386055671629
Energy: 1.520257065774637
Energy: 1.5202544419400346
Energy: 1.6026767968157316
Energy: 1.520257065774637
Energy: 1.5202544419405164
Energy: 1.602653206463992
Energy: 1.5202570657741552
Energy: 1.5202544419405164
Energy: 1.5203455740676286
Energy: 1.5202081701382144
Energy: 1.6026481355312983
Energy: 1.5203455740676286
Energy: 1.520208170140623
Energy: 1.6026702700356765
Energy: 1.5203455740681102
Energy: 1.5202081701386962
Energy: 1.6026714340863888
Energy: 1.520345574067147
Energy: 1.521986024494106
Energy: 1.5201820298592628
Energy: 1.5222774886829682
Energy: 1.5219860244945878
Energy: 1.5201820298602262
Energy: 1.5222774886839314
Energy: 1.5219860244936243
Energy: 1.520182029858299
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Energy: 1.521986024494106
Energy: 1.5225948318126892
Energy: 1.521604210731304
Energy: 1.522772898316589
Energy: 1.5225948318141345
Energy: 1.521604210730822
Energy: 1.522772898316107
Energy: 1.5225948318136526
Energy: 1.521604210731304
Energy: 1.522772898316589
Energy: 1.5225948318141345
Energy: 1.522292607049598
Energy: 1.520056878688183
Energy: 1.5221159949851637
Energy: 1.52229260705008
Energy: 1.5200568786872195
Energy: 1.5221159949851637
Energy: 1.5222926070505616
Energy: 1.5200568786877013
Energy: 1.5221159949851637
Energy: 1.522292607049598
Energy: 1.6026925136303
Energy: 1.520257065774637
Energy: 1.5202544419405164
Energy: 1.6026864954624502
Energy: 1.5202570657741552
Energy: 1.5202544419400346
Energy: 1.6026971346935628
Energy: 1.520257065774637
Energy: 1.5202544419400346
Energy: 1.6026971775249863
Energy: 1.5202081701396597
Energy: 1.6026885812098648
Energy: 1.5203455740676286
Energy: 1.5202081701396597
Energy: 1.6026439860348622
Energy: 1.520345574068592
Energy: 1.5202081701396597
Energy: 1.6026908319725364
Energy: 1.5203455740676286
Energy: 1.5202081701391779
Energy: 1.5201820298592628
Energy: 1.5222774886844133
Energy: 1.5219860244936243
Energy: 1.520182029858299
Energy: 1.52227748868345
Energy: 1.5219860244945878
Energy: 1.5201820298597444
Energy: 1.5222774886844133
Energy: 1.5219860244936243
Energy: 1.5201820298602262
Energy: 1.521604210730822
Energy: 1.522772898316107
Energy: 1.5225948318141345
Energy: 1.521604210731304
Energy: 1.522772898316589
Energy: 1.522594831814616
Energy: 1.521604210730822
Energy: 1.5227728983170707
Energy: 1.522594831814616
Energy: 1.521604210731304
Energy: 1.5200568786872195
Energy: 1.5221159949856455
Energy: 1.522292607049598
Energy: 1.5200568786877013
Energy: 1.5221159949851637
Energy: 1.522292607049116
Energy: 1.5200568786877013
Energy: 1.5221159949856455
Energy: 1.52229260705008
Energy: 1.5200568786872195
Energy: 1.5202570657741552
Energy: 1.520254441939553
Energy: 1.602704996291429
Energy: 1.520257065774637
Energy: 1.5202544419400346
Energy: 1.6027054045635574
Energy: 1.5202570657741552
Energy: 1.5202544419405164
Energy: 1.6027004877710145
Energy: 1.5202570657751184
Energy: 1.6026792483154464
Energy: 1.5203455740681102
Energy: 1.5202081701401415
Energy: 1.6026752209590063
Energy: 1.5203455740681102
Energy: 1.5202081701391779
Energy: 1.6026707972630425
Energy: 1.520345574067147
Energy: 1.5202081701411048
Energy: 1.6026906116602324
Energy: 1.5222774886829682
Energy: 1.521986024494106
Energy: 1.5201820298578173
Energy: 1.5222774886839314
Energy: 1.5219860244936243
Energy: 1.520182029858299
Energy: 1.5222774886829682
Energy: 1.5219860244950694
Energy: 1.520182029858781
Energy: 1.5222774886844133
Energy: 1.522772898316589
Energy: 1.5225948318141345
Energy: 1.521604210730822
Energy: 1.522772898316107
Energy: 1.5225948318136526
Energy: 1.521604210731304
Energy: 1.5227728983156255
Energy: 1.522594831814616
Energy: 1.5216042107303405
Energy: 1.522772898316589
Energy: 1.5221159949851637
Energy: 1.522292607049116
Energy: 1.5200568786872195
Energy: 1.5221159949856455
Energy: 1.52229260705008
Energy: 1.5200568786877013
Energy: 1.522115994984682
Energy: 1.52229260705008
Energy: 1.5200568786872195
Energy: 1.5221159949856455

minimum gb energy = 1.520056878686738 eV
minimum distance =  2.26324035822967 Angstroms
sigma value = 15


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

Energy: 1.5073479074008125
Energy: 1.5720074891708795
Energy: 1.570921125686417
Energy: 1.5073479073986285
Energy: 1.572007489166512
Energy: 1.570921125686417
Energy: 1.5073479074008125
Energy: 1.5720074891686957
Energy: 1.570921125686417
Energy: 1.5073479074008125
Energy: 1.5321605938091536
Energy: 1.5351531149260234
Energy: 1.5003178465716025
Energy: 1.5321605938091536
Energy: 1.5351531149260234
Energy: 1.500317846569419
Energy: 1.5321605938091536
Energy: 1.5351531149260234
Energy: 1.500317846569419
Energy: 1.5321605938091536
Energy: 1.5600540873978601
Energy: 1.4928086409871077
Energy: 1.7806932318744602
Energy: 1.5600540873978601
Energy: 1.4928086409892913
Energy: 1.7806932318722761
Energy: 1.5600540873978601
Energy: 1.4928086409871077
Energy: 1.7806932318744602
Energy: 1.5600540873978601
Energy: 1.5052357720497418
Energy: 1.492252841043384
Energy: 1.4862953543492277
Energy: 1.5052357720497418
Energy: 1.4922528410455675
Energy: 1.4862953543492277
Energy: 1.5052357720497418
Energy: 1.492252841043384
Energy: 1.4862953543492277
Energy: 1.5052357720497418
Energy: 1.6240349945002306
Energy: 1.534506235741529
Energy: 1.6007168412176842
Energy: 1.6240349945002306
Energy: 1.534506235743713
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Energy: 1.6240349945002306
Energy: 1.534506235741529
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Energy: 1.6240349945002306
Energy: 1.5521251634838287
Energy: 1.497489204293369
Energy: 1.479808163818159
Energy: 1.5521251634838287
Energy: 1.497489204293369
Energy: 1.479808163818159
Energy: 1.5521251634838287
Energy: 1.497489204293369
Energy: 1.479808163818159
Energy: 1.5521251634838287
Energy: 1.5147554124964604
Energy: 1.659389238222354
Energy: 1.535417204732612
Energy: 1.5147554124964604
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Energy: 1.535417204732612
Energy: 1.5147554124964604
Energy: 1.659389238222354
Energy: 1.535417204732612
Energy: 1.5147554124964604
Energy: 1.5320402760370047
Energy: 1.6670040683171463
Energy: 1.5984541222163142
Energy: 1.5320402760370047
Energy: 1.6670040683171463
Energy: 1.5984541222184978
Energy: 1.5320402760370047
Energy: 1.6670040683171463
Energy: 1.5984541222184978
Energy: 1.5320402760370047
Energy: 1.9000214593765268
Energy: 1.5089776595745714
Energy: 1.510526813418618
Energy: 1.9000214593765268
Energy: 1.5089776595680202
Energy: 1.5105268134208016
Energy: 1.900021459374343
Energy: 1.5089776595723878
Energy: 1.5105268134208016
Energy: 1.9000214593765268
Energy: 1.5286217480998825
Energy: 1.7693785867587193
Energy: 1.5514964845985673
Energy: 1.5286217480998825
Energy: 1.7693785867587193
Energy: 1.5514964845985673
Energy: 1.5286217480998825
Energy: 1.7693785867587193
Energy: 1.5514964845985673
Energy: 1.528621748102066
Energy: 1.513537032368273
Energy: 1.4884798048641745
Energy: 1.5873808736423765
Energy: 1.513537032368273
Energy: 1.4884798048641745
Energy: 1.5873808736401926
Energy: 1.513537032368273
Energy: 1.4884798048641745
Energy: 1.5873808736423765
Energy: 1.513537032368273
Energy: 1.559151811756952
Energy: 1.4789896821076998
Energy: 1.6947458693683446
Energy: 1.559151811756952
Energy: 1.4789896821076998
Energy: 1.6947458693683446
Energy: 1.559151811756952
Energy: 1.4789896821076998
Energy: 1.6947458693683446
Energy: 1.559151811756952
Energy: 1.7552275439025224
Energy: 1.4866227313469964
Energy: 1.6870206075798138
Energy: 1.7552275439025224
Energy: 1.4866227313469964
Energy: 1.6870206075819973
Energy: 1.7552275439025224
Energy: 1.4866227313469964
Energy: 1.6870206075819973
Energy: 1.7552275439025224
Energy: 1.476855076255008
Energy: 1.4757611498152996
Energy: 1.6868470626412355
Energy: 1.476855076255008
Energy: 1.4757611498152996
Energy: 1.6868470397967714
Energy: 1.476855076255008
Energy: 1.4757611498152996
Energy: 1.6868470450047823
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Energy: 1.5744784340720739
Energy: 1.7327705290641764
Energy: 1.4878148876439414
Energy: 1.5744784340720739
Energy: 1.7327705290641764
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Energy: 1.5744784340720739
Energy: 1.7327705290619928
Energy: 1.4878148876439414
Energy: 1.5744784340720739
Energy: 1.5114932589805214
Energy: 1.7504483670966742
Energy: 1.6601872282487034
Energy: 1.511493258982705
Energy: 1.7504483670966742
Energy: 1.6601872282487034
Energy: 1.5114932589805214
Energy: 1.7504483670988578
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Energy: 1.511493258982705
Energy: 1.5095947857754937
Energy: 1.5349979538671563
Energy: 1.76734038730041
Energy: 1.5095947857776773
Energy: 1.5349979538976883
Energy: 1.7673403872982265
Energy: 1.5095947857776773
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Energy: 1.7660494457559692
Energy: 1.5288834601111434
Energy: 1.6225706230489716
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Energy: 1.6225706230489716
Energy: 1.7660494457559692
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Energy: 1.6225706230489716
Energy: 1.7660494457559692
Energy: 1.5129980042286733
Energy: 1.687588685455792
Energy: 1.6047651873869062
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Energy: 1.6875886855693047
Energy: 1.6047651873869062
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Energy: 1.6875886855431004
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Energy: 1.657227177711171
Energy: 1.5016344950023761
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Energy: 1.5016344950001925
Energy: 1.5475572071470254
Energy: 1.657227177711171
Energy: 1.5601031351159727
Energy: 1.5311352960722786
Energy: 1.6878386631579196
Energy: 1.5601031351159727
Energy: 1.5311352960722786
Energy: 1.6878386631601032
Energy: 1.5601031351159727
Energy: 1.5311352960722786
Energy: 1.6878386631601032
Energy: 1.5601031351159727
Energy: 1.5819052097224446
Energy: 1.756153502748247
Energy: 1.4794417933946913
Energy: 1.5819052097224446
Energy: 1.756153502748247
Energy: 1.4794417933925077
Energy: 1.5819052097224446
Energy: 1.756153502748247
Energy: 1.4794417933946913
Energy: 1.5819052097224446
Energy: 1.511883236926091
Energy: 1.494785875282096
Energy: 1.5955914180779975
Energy: 1.511883236926091
Energy: 1.494785875282096
Energy: 1.5955914180779975
Energy: 1.511883236926091
Energy: 1.494785875282096
Energy: 1.595591418075814
Energy: 1.511883236926091
Energy: 1.4787676875682625
Energy: 1.498616563720326
Energy: 1.501809789111834
Energy: 1.4787676875704463
Energy: 1.498616563720326
Energy: 1.501809789111834
Energy: 1.4787676875682625
Energy: 1.498616563720326
Energy: 1.501809789111834
Energy: 1.4787676875682625
Energy: 1.6626254243053062
Energy: 1.5112894239860792
Energy: 1.5334042296417536
Energy: 1.6626254243053062
Energy: 1.5112894239838954
Energy: 1.5334042296417536
Energy: 1.6626254243053062
Energy: 1.5112894239838954
Energy: 1.5334042296439374
Energy: 1.6626254243053062
Energy: 1.5349491665067083
Energy: 1.6778736099535911
Energy: 1.563144433468495
Energy: 1.5349491665067083
Energy: 1.6778736099535911
Energy: 1.563144433468495
Energy: 1.5349491665067083
Energy: 1.6778736099535911
Energy: 1.5631444334663112
Energy: 1.5349491665067083
Energy: 1.5509984889542958
Energy: 1.4865681792434113
Energy: 1.5860705823907935
Energy: 1.5509984889542958
Energy: 1.4865681792434113
Energy: 1.5860705823929773
Energy: 1.5509984889542958
Energy: 1.4865681792434113
Energy: 1.5860705823907935
Energy: 1.5509984889542958
Energy: 1.663713450376455
Energy: 1.6820164436715743
Energy: 1.6613112331335962
Energy: 1.6637134503786386
Energy: 1.6820164436693907
Energy: 1.6613112331335962
Energy: 1.6637134503786386
Energy: 1.6820164436715743
Energy: 1.66131123313578
Energy: 1.6637134503786386
Energy: 1.762838449527569
Energy: 1.4796078413065767
Energy: 1.5823034665067452
Energy: 1.762838449527569
Energy: 1.4796078413065767
Energy: 1.5823034665045614
Energy: 1.762838449527569
Energy: 1.4796078413065767
Energy: 1.5823034665045614
Energy: 1.762838449527569
Energy: 1.6133365793256549
Energy: 1.4920454520151105
Energy: 1.7016030356526737
Energy: 1.6133365793256549
Energy: 1.4920454520151105
Energy: 1.7016030356526737
Energy: 1.6133365793278387
Energy: 1.4920454520151105
Energy: 1.7016030356526737
Energy: 1.6133365793256549
Energy: 1.662319008586546
Energy: 1.6919046508481206
Energy: 1.4846868738202745
Energy: 1.662319008595281
Energy: 1.6919046508503044
Energy: 1.4846868738202745
Energy: 1.662319008593097
Energy: 1.6919046508503044
Energy: 1.4846868738202745
Energy: 1.6623190085909134
Energy: 1.4881528074785946
Energy: 1.6455414504577228
Energy: 1.693486355964069
Energy: 1.4881528074785946
Energy: 1.6455414504577228
Energy: 1.693486355964069
Energy: 1.4881528074785946
Energy: 1.6455414504577228
Energy: 1.693486355964069
Energy: 1.4881528074785946
Energy: 1.5093628902522502
Energy: 1.6376901879819952
Energy: 1.5309168119250645
Energy: 1.5093628902522502
Energy: 1.6376901879819952
Energy: 1.5309168119250645
Energy: 1.5093628902522502
Energy: 1.6376901879819952
Energy: 1.5309168119250645
Energy: 1.5093628902522502
Energy: 1.5071993631353893
Energy: 1.7263077748030309
Energy: 1.6503375940158125
Energy: 1.5071993631353893
Energy: 1.7263077748052147
Energy: 1.6503375940158125
Energy: 1.507199363133206
Energy: 1.7263077748052147
Energy: 1.6503375940158125
Energy: 1.5071993631353893
Energy: 1.488012288211478
Energy: 1.7840235268801448
Energy: 1.6415272332025779
Energy: 1.488012288211478
Energy: 1.7840235268801448
Energy: 1.6415272332025779
Energy: 1.488012288211478
Energy: 1.784023526877961
Energy: 1.6415272332025779
Energy: 1.488012288211478
Energy: 1.4820963432324943
Energy: 1.485325078848662
Energy: 1.700275263687711
Energy: 1.4820961899130083
Energy: 1.485325078848662
Energy: 1.7002752636898948
Energy: 1.4820961477251502
Energy: 1.485325078848662
Energy: 1.700275263687711
Energy: 1.4820959083208238
Energy: 1.6143386633211523
Energy: 1.6736538747052598
Energy: 1.4787926741653519
Energy: 1.6143386633211523
Energy: 1.673653874703076
Energy: 1.4787926741653519
Energy: 1.6143386633211523
Energy: 1.673653874703076
Energy: 1.4787926741653519
Energy: 1.6143386633211523
Energy: 1.7121604291779366
Energy: 1.5880373326822443
Energy: 1.4790523789552097
Energy: 1.7121604291779366
Energy: 1.5880373326822443
Energy: 1.4790523789552097
Energy: 1.712160429175753
Energy: 1.5880373326844284
Energy: 1.4790523789552097
Energy: 1.7121604291779366
Energy: 1.6664466684686803
Energy: 1.6609480382349378
Energy: 1.5086160634469163
Energy: 1.6664466684686803
Energy: 1.6609480382371213
Energy: 1.5086160634469163
Energy: 1.6664466684686803
Energy: 1.6609480382349378
Energy: 1.5086160634469163
Energy: 1.6664466684686803
Energy: 1.9390335892841126
Energy: 1.6134081251321
Energy: 1.4964169961995486
Energy: 1.9390335892841126
Energy: 1.6134081251321
Energy: 1.4964169961995486
Energy: 1.9390335892819293
Energy: 1.6134081251321
Energy: 1.4964169961995486
Energy: 1.9390335892841126
Energy: 1.529661369164668
Energy: 1.5108441923738418
Energy: 1.5357609266001766
Energy: 1.529661369166852
Energy: 1.5108441923738418
Energy: 1.5357609266001766
Energy: 1.529661369164668
Energy: 1.5108441923738418
Energy: 1.5357609266001766
Energy: 1.529661369166852
Energy: 1.674605852036351
Energy: 1.533650700710366
Energy: 1.5121887580876274
Energy: 1.674605852036351
Energy: 1.533650700710366
Energy: 1.5121887580876274
Energy: 1.674605852036351
Energy: 1.5336507007125495
Energy: 1.5121887580876274
Energy: 1.674605852036351
Energy: 1.9351002807629507
Energy: 1.4984822772951698
Energy: 1.613585136648939
Energy: 1.9351002807629507
Energy: 1.4984822772951698
Energy: 1.613585136648939
Energy: 1.9351002807629507
Energy: 1.4984822772951698
Energy: 1.613585136648939
Energy: 1.9351002807629507
Energy: 1.4936702808757027
Energy: 1.9961683823879735
Energy: 1.493174406928942
Energy: 1.4936702808757027
Energy: 1.9961683823857896
Energy: 1.493174406928942
Energy: 1.4936702808757027
Energy: 1.9961683823857896
Energy: 1.493174406928942
Energy: 1.4936702808757027
Energy: 1.4897737252862673
Energy: 1.4782548742237045
Energy: 1.7469388137200452
Energy: 1.4897737252862673
Energy: 1.4782548742237045
Energy: 1.746938813722229
Energy: 1.4897737252862673
Energy: 1.4782548742237045
Energy: 1.746938813722229
Energy: 1.4897737252862673
Energy: 1.74949759634667
Energy: 1.5035784624181958
Energy: 1.6606642655170198
Energy: 1.74949759634667
Energy: 1.5035784624181958
Energy: 1.6606642655170198
Energy: 1.74949759634667
Energy: 1.5035784624181958
Energy: 1.6606642655170198
Energy: 1.74949759634667
Energy: 1.5040149069331643
Energy: 1.5357429145839254
Energy: 1.4863245144580597
Energy: 1.5040149069309805
Energy: 1.5357429145839254
Energy: 1.4863245144580597
Energy: 1.5040149069309805
Energy: 1.5357429145839254
Energy: 1.4863245144580597
Energy: 1.5040149069309805
Energy: 1.49777933565332
Energy: 1.5677583691707804
Energy: 1.7548483514338944
Energy: 1.49777933565332
Energy: 1.5677583691707804
Energy: 1.7548483514317108
Energy: 1.49777933565332
Energy: 1.5677583691707804
Energy: 1.754848351429527
Energy: 1.49777933565332
Energy: 1.5077677474308184
Energy: 1.6529419006117316
Energy: 1.6879495155171333
Energy: 1.5077677474308184
Energy: 1.6529419006117316
Energy: 1.687949515519317
Energy: 1.5077677474308184
Energy: 1.6529419006117316
Energy: 1.6879495155171333
Energy: 1.5077677474308184

minimum gb energy = 1.4757611498152996 eV
minimum distance =  2.20797178336793 Angstroms
sigma value = 437


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

Energy: 1.4278868569824552
Energy: 1.4517587697570349
Energy: 1.4599598433760368
Energy: 1.4278868569824552
Energy: 1.4517587697562393
Energy: 1.4599598433752412
Energy: 1.4278868569816596
Energy: 1.4517587697578305
Energy: 1.4599598433760368
Energy: 1.4278868569816596
Energy: 1.6252507249859454
Energy: 1.3946647752579397
Energy: 1.5835444203626032
Energy: 1.6252507249867412
Energy: 1.3946647752571444
Energy: 1.5835444203626032
Energy: 1.6252507249867412
Energy: 1.3946647752571444
Energy: 1.5835444203626032
Energy: 1.6252507249859454
Energy: 1.5813248358252323
Energy: 1.383391201284209
Energy: 1.6320069018010732
Energy: 1.6044367352829294
Energy: 1.383391201284209
Energy: 1.7503637641004788
Energy: 1.6044367352805429
Energy: 1.383391201284209
Energy: 1.6320069018042556
Energy: 1.6044367352813385
Energy: 1.5475245720311996
Energy: 1.715830384008905
Energy: 1.5450010454204866
Energy: 1.5475245720304038
Energy: 1.7158303840073137
Energy: 1.5450010454204866
Energy: 1.5475245720311996
Energy: 1.715830384008905
Energy: 1.5450010454204866
Energy: 1.5475245720304038
Energy: 1.5538995747322961
Energy: 1.4113594526272968
Energy: 1.746222146035088
Energy: 1.5538995747330917
Energy: 1.4113594526257056
Energy: 1.746222146035088
Energy: 1.5538995747322961
Energy: 1.4113594526265012
Energy: 1.7462221460342924
Energy: 1.5538995747322961
Energy: 1.5534029496898858
Energy: 1.6691683286979486
Energy: 1.3950562959926796
Energy: 1.5534029496898858
Energy: 1.6691683286963572
Energy: 1.3950562959910886
Energy: 1.5534029496898858
Energy: 1.6691683286963572
Energy: 1.3950562959926796
Energy: 1.5534029496906814
Energy: 1.6573583875439128
Energy: 1.5050799315993806
Energy: 1.3834939151915449
Energy: 1.6573583875447082
Energy: 1.4269981442228228
Energy: 1.383493915193136
Energy: 1.6573583875439128
Energy: 1.4269981442220272
Energy: 1.3834939151915449
Energy: 1.6573583875447082
Energy: 1.5226384313714978
Energy: 1.6720386235005633
Energy: 1.5388353109314357
Energy: 1.5226384313714978
Energy: 1.6720386235005633
Energy: 1.5388353109314357
Energy: 1.5226384313714978
Energy: 1.6720386235005633
Energy: 1.5388353109314357
Energy: 1.5226384313714978
Energy: 1.6302397874959276
Energy: 1.4116903689605695
Energy: 1.4112270934857771
Energy: 1.6302397874967232
Energy: 1.4116903689605695
Energy: 1.4112270934857771
Energy: 1.6302397874959276
Energy: 1.4116903689613651
Energy: 1.4112270934857771
Energy: 1.630239787495132
Energy: 1.5426407125515786
Energy: 1.5985327964459446
Energy: 1.5751297885863476
Energy: 1.5426407125507833
Energy: 1.5985327964467402
Energy: 1.5751298035282864
Energy: 1.5426407125515786
Energy: 1.5985327964467402
Energy: 1.5751298571483785
Energy: 1.5426407125507833
Energy: 1.5111348679234855
Energy: 1.3959689204043255
Energy: 1.5307362464492937
Energy: 1.5111348679234855
Energy: 1.3959689204043255
Energy: 1.5307362464500893
Energy: 1.51113486792269
Energy: 1.3959689204043255
Energy: 1.5307362464492937
Energy: 1.5111348679234855
Energy: 1.5917590661725254
Energy: 1.394700436812139
Energy: 1.431155026361813
Energy: 1.591759066173321
Energy: 1.3947004368129348
Energy: 1.4311550263824975
Energy: 1.5917590661725254
Energy: 1.394700436812139
Energy: 1.4311550262155022
Energy: 1.591759066173321
Energy: 1.4121909874088046
Energy: 1.5015214757314215
Energy: 1.4114481421852816
Energy: 1.4121909874072136
Energy: 1.501521475732217
Energy: 1.4114481421868725
Energy: 1.4121909874096001
Energy: 1.5015214757314215
Energy: 1.411448142184486
Energy: 1.4121909874072136
Energy: 1.4236238549002682
Energy: 1.4470442883030035
Energy: 1.5638858839408738
Energy: 1.4236238549002682
Energy: 1.4470442883022079
Energy: 1.5638858839400784
Energy: 1.4236238548994726
Energy: 1.4470442883037988
Energy: 1.5638858839400784
Energy: 1.4236238548994726

minimum gb energy = 1.383391201284209 eV
minimum distance =  2.20832813189948 Angstroms
sigma value = 33