Model name: model_name=EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.65840482711792
cohesive_energy=3.892708402587109
mass=55.845
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: 0.014678262314545798
Energy: 1.0858431882067499
Energy: 0.014678262314545798
Energy: 1.0858431882058655
Energy: 0.014678262314545798
Energy: 1.0858431882058655
Energy: 1.0858431882061375
Energy: 0.9367059063241236
Energy: 1.0858431882064437
Energy: 0.9367059063241236
Energy: 1.0858431882064437
Energy: 0.93670590632443
Energy: 0.014678262314545798
Energy: 1.0858431882058655
Energy: 0.014678262314545798
Energy: 1.0858431882061375
Energy: 0.014678262314545798
Energy: 1.0858431882061375
Energy: 1.0858431882055593
Energy: 0.9367059063283086
Energy: 1.0858431882055593
Energy: 0.9367059063241236
Energy: 1.085843188205253
Energy: 0.936705906327424
Energy: 0.014678262314545798
Energy: 1.0858431882058655
Energy: 0.014678262314545798
Energy: 1.0858431882055593
Energy: 0.014678262314545798
Energy: 1.0858431882049469
Energy: 1.0858431882055593
Energy: 0.9367059063253144
Energy: 1.0858431882064437
Energy: 0.9367059063217421
Energy: 1.0858431882055593
Energy: 0.9367059063247362

minimum gb energy = 0.014678262314545798 eV
minimum distance =  2.44239944618793 Angstroms
sigma value = 1


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

Energy: -3.072904777613078
Energy: -2.7754000764321636
Energy: -3.690109771388078
Energy: -2.723504523314635
Energy: -3.692564489158672
Energy: -2.8121467826409448
Energy: -2.55918806346265
Energy: 0.3373499925009112
Energy: -2.5272825768738416
Energy: 0.3373399932920886
Energy: -2.637637473667467
Energy: 0.3373471423949263
Energy: -2.9478224528225083
Energy: 0.6301836745409835
Energy: -2.7380481847795894
Energy: 0.6301836745019515
Energy: -3.942844545046432
Energy: 0.6301836744599374
Energy: -2.5985858150406136
Energy: 0.5022584188656478
Energy: -2.663676186259486
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Energy: -2.6526815404676984
Energy: 0.5775376341541801
Energy: -2.7880639667730107
Energy: 0.6436209161504438
Energy: -2.2365498909468484
Energy: 0.6436209207463479
Energy: -3.6544708222754245
Energy: 0.6436209193362002
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Energy: 0.6716819321057726
Energy: 0.5901163714171375
Energy: 0.6716819211494118
Energy: 0.5901163714193487
Energy: 0.6716819301047159
Energy: 0.5336599195863336
Energy: 0.789441714198862
Energy: 0.5336599195797332
Energy: 0.7894417141509513
Energy: 0.5336599195870706
Energy: 0.7894417141811719
Energy: -2.5987746550225492
Energy: -3.4782047918364123
Energy: -2.6106941775828165
Energy: -3.4601708960220123
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Energy: 0.46068347039404445
Energy: 0.9169525201947258
Energy: 0.46067880623480484
Energy: 0.9169525202013595
Energy: 0.46067116668950364
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Energy: -3.253005659753502
Energy: 0.3857591701466161
Energy: -3.051436294416115
Energy: 0.38575917014440486
Energy: -3.129911127355512
Energy: -5.010245027153124
Energy: 0.3433949736244646
Energy: -2.3545893031471063
Energy: 0.3433949736296242
Energy: -5.162381913064484
Energy: 0.34339497362815
Energy: 0.568768126966251
Energy: 0.5856650243154894
Energy: 0.5687681269404866
Energy: 0.5856651975939932
Energy: 0.5687681268535438
Energy: 0.5856651506211552
Energy: -2.7882386825463676
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Energy: -3.561627100144819
Energy: -2.432189404006226
Energy: -3.184838068671207
Energy: -2.490532834911718
Energy: 0.8052098370368165
Energy: -2.7544851412081424
Energy: 0.8052098287887807
Energy: -2.646151994188695
Energy: 0.8052099285556
Energy: -2.8607722970649214
Energy: 0.627739223283801
Energy: -2.4565972542761094
Energy: 0.6277392233515796
Energy: -2.6260731060351707
Energy: 0.6277392233464201
Energy: -2.6642911653159573
Energy: 0.630495355401333
Energy: 0.5402199515296896
Energy: 0.6304953554138634
Energy: 0.5402199515282154
Energy: 0.6304953554050183
Energy: 0.5402199515613508
Energy: -3.6774997366744926
Energy: 0.5308242689859344
Energy: -3.7280220837625944
Energy: 0.5308242689888827
Energy: -3.218993165994497
Energy: 0.5308242689800377
Energy: -2.9861723081517666
Energy: 0.5454804362072412
Energy: -3.684585937642049
Energy: 0.5454804362109266
Energy: -3.2561553984498954
Energy: 0.5454804362094524
Energy: 0.4656696708083459
Energy: -3.6034525462314013
Energy: 0.4656696708083459
Energy: -2.773526279979752
Energy: 0.4656696708083459
Energy: -3.6524089912338606
Energy: -2.5342043573870763
Energy: -2.687253041772485
Energy: -2.609690398900286
Energy: -3.8264995519493445
Energy: -2.684179414448316
Energy: -5.0908803583115
Energy: -2.861262735497525
Energy: -2.463377738007219
Energy: -2.8039160101279252
Energy: -2.9950928426577863
Energy: -2.8642087563407843
Energy: -2.4564786922746564

minimum gb energy = -5.162381913064484 eV
minimum distance =  2.3339863467563 Angstroms
sigma value = 33


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

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Energy: -2.1721497659121316
Energy: -2.462174288555402
Energy: -2.955210821421583
Energy: -3.149270094848697
Energy: -1.889567314018847
Energy: 0.8479116217608216
Energy: -2.5116501549194914
Energy: 0.847911616654899
Energy: -2.4107329866227913
Energy: 0.8479116034082381
Energy: -2.262899118725866
Energy: 0.5923664688442534
Energy: -2.72288451054734
Energy: 0.5923671367508005
Energy: -2.6996156229743113
Energy: 0.5923686899499636
Energy: -2.742358593280751
Energy: -3.336030212768498
Energy: -2.7219141361220456
Energy: -2.553311020601273
Energy: -2.4449899445801933
Energy: -2.4989347225408416
Energy: -3.311225329340767
Energy: -3.1351778637697785
Energy: 0.6971795290940666
Energy: -2.1748883718891943
Energy: 0.6971795290944859
Energy: -2.2377844757099092
Energy: 0.6971795290957437
Energy: -2.9573669879343085
Energy: 0.6032698391001601
Energy: -3.182600912643594
Energy: 0.6032698389664567
Energy: -2.8728661603504397
Energy: 0.6032698387849967
Energy: 0.7568792686581468
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Energy: 0.7568811547153628
Energy: -2.363420210942067
Energy: 0.7568776391931598
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Energy: -2.625630522178174
Energy: -2.841276481636259
Energy: -3.6874150748255365
Energy: -2.7341550916994115
Energy: -2.3713437775299724
Energy: -2.308524540326035
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Energy: 0.58580460366425
Energy: 0.43236570470251695
Energy: 0.5858046036894051
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Energy: -2.5596189411887735
Energy: 0.5978941479099008
Energy: -2.3461680262114557
Energy: 0.6921399894144608
Energy: -3.695704708247736
Energy: 0.6921399579203725
Energy: -3.6535183658146724
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Energy: -3.643183524969087
Energy: -3.8975084973291576
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Energy: -2.2697364980490984
Energy: -2.9576415103158493
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Energy: 0.5725725221154501
Energy: 0.5868308005898851
Energy: -2.6346871069874327
Energy: 0.9451532548740106
Energy: -2.982324729643115
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Energy: -2.99635759921823
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Energy: -2.5746962388804686
Energy: 0.7984095904112473
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Energy: 0.798409590412467
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Energy: -3.2398323611629065
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Energy: 0.5835518804422422
Energy: -2.9325793162064797
Energy: -2.3434446976630916
Energy: 0.7109628638261095
Energy: -2.6223678798049197
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Energy: 0.7109628638340753
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Energy: -2.8012165896084444
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Energy: -2.8574373503225443
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Energy: -3.068962923962768
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Energy: -2.054356089321125
Energy: -2.5870255470659163
Energy: 0.6028356407843034
Energy: -2.94450513635182
Energy: 0.6028356404247373
Energy: -2.3196843436313155
Energy: 0.6028356404075479
Energy: 0.7306855545216242
Energy: 0.6978325728579596
Energy: 0.7306855584172413
Energy: 0.6978353939219796
Energy: 0.7306855586913181
Energy: 0.6978334533899265
Energy: -2.254530008348961
Energy: -1.945355657591952
Energy: -2.6153034673233138
Energy: -2.181385023960482
Energy: -2.1441149735497866
Energy: -1.940070591379191
Energy: -2.446247608721926
Energy: 0.45337856566436163
Energy: -2.5397593248062718
Energy: 0.45337856571467194
Energy: -2.8402963560154495
Energy: 0.45337856566394247
Energy: -2.1459892708672403
Energy: -2.0017788567475465
Energy: -2.3351320193994574
Energy: -2.0370390519612283
Energy: -2.315487767212137
Energy: -2.2318355322282426
Energy: -2.6822456423760066
Energy: 0.3582432589042139
Energy: -3.6629335591310546
Energy: 0.35824325873616986
Energy: -2.7907500159031153
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Energy: 0.6222542546514414
Energy: 0.43593432718676817
Energy: 0.6222542546506029
Energy: 0.4359343271871874
Energy: 0.622254254651022
Energy: 0.4359343271838334

minimum gb energy = -4.043903669918241 eV
minimum distance =  2.34859036421417 Angstroms
sigma value = 51


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

Energy: 0.7106264958579538
Energy: 0.6590783991736128
Energy: 0.7106264958569823
Energy: 0.6590784000474769
Energy: 0.7106264958589251
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Energy: 0.37718796361241075
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Energy: 0.4873643162036126
Energy: -1.618298016924852
Energy: 0.5999876048260121
Energy: -1.842654292447278
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Energy: -1.6283607453057825
Energy: 0.5999878127787371
Energy: -1.5960950193757923
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Energy: -1.5048943589944455
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Energy: -1.4865591826561242
Energy: 0.6485402820210746
Energy: -1.5724828729777538
Energy: -1.607454592581746
Energy: -1.604498575249076
Energy: -1.560562774873706
Energy: -1.6498350475074777
Energy: -1.5923930617342192
Energy: 0.6379443328657556
Energy: -1.4399266800121118
Energy: 0.637720081388846
Energy: -1.3292000157372343
Energy: 0.6379473017213528
Energy: -1.7535254930077075
Energy: 0.5477345300193142
Energy: 0.6310369490533195
Energy: 0.5477343603723127
Energy: 0.631036940884538
Energy: 0.5477347112858693
Energy: 0.6310369508350467

minimum gb energy = -2.070461805005287 eV
minimum distance =  2.34565970156189 Angstroms
sigma value = 19


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

Energy: 0.5164216511763905
Energy: 0.24296853474262112
Energy: 0.5164216511769667
Energy: 0.24296853474665459
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Energy: 0.24296853474895938
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Energy: 0.5364524013246615
Energy: 0.24720762521735615
Energy: 0.39850483861503844
Energy: 0.51392638400343
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Energy: 0.5140769721321558
Energy: 0.39859691070482595
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Energy: -1.6145619409959358
Energy: 0.242196163491309
Energy: -1.4129117065611183
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Energy: 0.7404807700642221
Energy: 0.8501175024559313
Energy: 0.7414734975820176
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Energy: 0.5364771850456415
Energy: 0.2461589071889196
Energy: 0.24219616348958034
Energy: 0.7404780565390163
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Energy: 0.7404802877365303
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Energy: -1.4634116456507456
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Energy: 0.7414734975929657
Energy: 0.8501175024570837
Energy: 0.7414734975866274
Energy: 0.8501175024455597
Energy: 0.7414734975716721
Energy: 0.5164216511763905
Energy: 0.24296853473861385
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Energy: 0.2429685347414687
Energy: 0.5164216511769667
Energy: 0.2429685347420449
Energy: 0.8498267879104761
Energy: 0.7415724672104912
Energy: 0.8498267879018329
Energy: 0.7415724672081863
Energy: 0.8498267879156618
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Energy: 0.7401755304591958
Energy: 0.24241636552948728
Energy: 0.7401744843481339
Energy: 0.2424163655375542
Energy: 0.7401844928214263

minimum gb energy = -1.6145619409959358 eV
minimum distance =  2.33665701267372 Angstroms
sigma value = 27


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

Energy: 0.43407079805612475
Energy: 0.2621208084901292
Energy: 0.4340707980589476
Energy: 0.2621208084901292
Energy: 0.4340707980589476
Energy: 0.2621208084901292
Energy: -1.7261983389102074
Energy: 0.027101797267081822
Energy: -1.7398286217897398
Energy: 0.02707747065996052
Energy: -1.710578170582023
Energy: 0.030847506509475504
Energy: -0.4379779459246706
Energy: 0.5814708426443158
Energy: -0.4369947055023441
Energy: 0.5814708426429044
Energy: -0.4365249216774651
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Energy: -0.9749589902559093
Energy: 0.24297017237734841
Energy: -1.0234860728580188
Energy: 0.24297017237593702
Energy: -1.0546465841185801
Energy: 0.24297017237593702
Energy: -0.47362410974572483
Energy: 0.23614112016093408
Energy: -0.5172237565448883
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Energy: -0.6634398573247698
Energy: 0.2361411201623455
Energy: -0.002544318200054286
Energy: 0.7264581716610823
Energy: -0.0024156829954271033
Energy: 0.7264580314725559
Energy: -0.10611304599166074
Energy: 0.7264580882130312
Energy: -0.5836014516736178
Energy: 0.02962887181666766
Energy: -0.553858480521658
Energy: 0.03486960976363004
Energy: -0.5534200347798484
Energy: 0.03516577263951263
Energy: 0.436046665367951
Energy: 0.25163134884940286
Energy: 0.436046665367951
Energy: 0.25163134884940286
Energy: 0.436046665367951
Energy: 0.2516313488508143
Energy: -2.245416661226185
Energy: 0.15723285674491322
Energy: -0.47233946756007583
Energy: 0.15723285674491322
Energy: -2.226553902626027
Energy: 0.15723285674632462
Energy: 0.28275301864612484
Energy: -1.5871887858597757
Energy: 0.28275301864612484
Energy: -1.670376680732962
Energy: 0.282753018643302
Energy: -1.7255665100974433
Energy: -0.9501912266254026
Energy: 0.24636995004265805
Energy: -0.945042912818022
Energy: 0.24636995004830373
Energy: -0.9619721387401357
Energy: 0.2463699500454809
Energy: -0.8066939836494031
Energy: -0.5065477047006385
Energy: -0.728760519807564
Energy: -0.5612011605205882
Energy: -0.6333156063695774
Energy: 0.04330743299736723

minimum gb energy = -2.245416661226185 eV
minimum distance =  2.34882366757145 Angstroms
sigma value = 9


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

Energy: 0.6046733266607771
Energy: -4.360124157266283
Energy: 0.6046733266580011
Energy: -3.958576066828509
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Energy: -2.9262634710178346
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Energy: -2.746799799704733
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Energy: -6.237833361197813
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Energy: -5.916220006436109
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Energy: -4.470471760417257
Energy: -5.707167939084472
Energy: -3.7521690708999036
Energy: -3.661541535998022
Energy: -5.124276718652113
Energy: -5.480036953519327
Energy: -5.560290784447454
Energy: -5.910114104199079
Energy: -5.862884882649953
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Energy: -2.5604267260838993
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Energy: -2.607340240403226
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Energy: -2.9246026846136814
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Energy: -5.204243698708181
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Energy: -2.59554718280517
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Energy: 0.2716502433208715
Energy: -5.568080136820409
Energy: 0.2716502433196818
Energy: -5.4952014030330725
Energy: 0.27165024332047494
Energy: 0.604673326665536
Energy: -5.316160241995125
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Energy: -5.895324976360691
Energy: 0.6046733266663291
Energy: -6.287519747211397
Energy: -4.453127954262894
Energy: -5.783372291151415
Energy: -5.875248910763666
Energy: -5.919820406225509
Energy: -5.845854926977254
Energy: -3.3431701635085864
Energy: -2.8995195832700817
Energy: -2.643803741169806
Energy: -3.543941169623581
Energy: -4.575128480861414
Energy: -2.988771082030479
Energy: -2.6963253759550327
Energy: -4.606587056253285
Energy: 0.3255312617205925
Energy: -5.819640274410911
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Energy: -5.4134427964435226
Energy: 0.32553126171979935
Energy: -5.240167305090097
Energy: -6.732196490932414
Energy: -5.24927365361461
Energy: -4.818011578687269
Energy: -5.571764950590986
Energy: -5.561158460028215

minimum gb energy = -6.751466644420587 eV
minimum distance =  2.20550062875007 Angstroms
sigma value = 57


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

Energy: 0.7118826934719824
Energy: -2.4879965329578195
Energy: 0.3877114354921159
Energy: -2.4879965329569167
Energy: 0.7118826934755934
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Energy: -2.6668556227271463
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Energy: -2.614478984089252
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Energy: -2.8455997458782103
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Energy: -2.7451469425626396
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Energy: -2.2795100113233935
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Energy: -2.2738707196597967
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Energy: -2.4879965329623333
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Energy: -2.6652835534644472
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Energy: -2.668279508138853
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Energy: -2.091113327634622
Energy: -2.614478984088349
Energy: -2.589254663982744
Energy: -2.6144789840901543
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Energy: -2.614478984083835
Energy: -2.5892546638798724
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Energy: -4.137270309933608
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Energy: -4.137270436423095
Energy: 0.44692784458477247
Energy: -4.137270156895421
Energy: 0.10673462050177161
Energy: -2.7569685814746094
Energy: 0.10673462052610465
Energy: -2.757015477948998
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Energy: -2.756990207901984
Energy: 0.13164284178390834
Energy: -2.954958995440209
Energy: 0.13164284178838098
Energy: -2.954958995926583
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Energy: -2.9549589958535014
Energy: -3.8666384612580575
Energy: 0.443775430468956
Energy: -3.8666371987734225
Energy: 0.44377543047166423
Energy: -3.8666387110806313
Energy: 0.4437754304770807

minimum gb energy = -4.530128269788893 eV
minimum distance =  2.47449389354116 Angstroms
sigma value = 11


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

Energy: -2.7339673626017165
Energy: 0.32097807692534186
Energy: -2.5782665937810068
Energy: 0.3209780769246806
Energy: -2.7017993630797537
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Energy: -3.7565006871391047
Energy: -3.1701229826596573
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Energy: -3.108619662932469
Energy: -3.7512983191964624
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Energy: -3.4183656177217863
Energy: 0.0192658827067286
Energy: -3.68412253920456
Energy: -3.76278892225037
Energy: -0.17120441378832615
Energy: -3.5522030287996835
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minimum gb energy = -4.303278956515929 eV
minimum distance =  2.30846561182424 Angstroms
sigma value = 41


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

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minimum gb energy = -3.421789792962881 eV
minimum distance =  2.33241013571942 Angstroms
sigma value = 33


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

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Energy: 0.30928956986926753
Energy: -0.21633060333917967
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Energy: 0.144665416239972
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Energy: 0.14507555765864752
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Energy: 0.14434095045316236
Energy: -3.945929805203744
Energy: -3.6250736702096673
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Energy: 0.13683757665121393
Energy: -0.49477973377056694
Energy: 0.15320333953614185

minimum gb energy = -6.377482809302243 eV
minimum distance =  2.40249836158214 Angstroms
sigma value = 67


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

Energy: 0.08120131816941713
Energy: -0.45828771723189715
Energy: 0.08120131816963937
Energy: -0.45828771723311945
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Energy: -0.4582877172333695
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Energy: -0.4582877172297026
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Energy: -0.24246290367343934
Energy: 0.403670500525628
Energy: -0.24246290367368936
Energy: 0.4036705005254057

minimum gb energy = -0.4582877172333695 eV
minimum distance =  2.41895750733331 Angstroms
sigma value = 3


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

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Energy: -3.8106470426050385
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minimum gb energy = -6.2983527687990595 eV
minimum distance =  2.39426206323167 Angstroms
sigma value = 81


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

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Energy: -1.6186520196160339
Energy: -0.5467083839175125
Energy: -0.6373295885115409
Energy: -0.5467083839207085
Energy: -0.6373295885156502
Energy: -0.5467083839138598
Energy: -0.6373295885151937
Energy: -0.90262878968671
Energy: -0.6983211817794017
Energy: -0.902628789682642
Energy: -0.6983211818021897
Energy: -0.9026287896871666
Energy: -0.6983211818236494

minimum gb energy = -3.607409199597258 eV
minimum distance =  2.39989944947287 Angstroms
sigma value = 43


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

Energy: -0.14360714649041564
Energy: -0.45825046888434656
Energy: -0.14360714648929393
Energy: -0.45825046888434656
Energy: -0.14360714649041564
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Energy: -0.5380520981385136
Energy: -0.7888169935647039
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Energy: -0.48137873538565185
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Energy: -0.8893984909756225
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Energy: -0.7866146918106969
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Energy: -0.8720765517091463
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Energy: -0.3936970665930499
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Energy: -2.2720071706086484
Energy: -0.3799241958863418
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Energy: -0.5015100679273388
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Energy: -0.9623761947775763
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Energy: -0.9625542819707815
Energy: -0.3093527961785119
Energy: -0.9623945783462603
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Energy: -0.6977125976755079
Energy: -0.28862424178113955
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Energy: -0.28862424178001783
Energy: -2.0726669188799876
Energy: -0.38515729762505424
Energy: -2.5987606433641526
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Energy: -2.548547908489399
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Energy: -0.3508198449704096
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Energy: -0.6431428484125926
Energy: -0.2941706958243306
Energy: -0.6431428484540693
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Energy: -0.6431428484361479
Energy: -0.8550652677092988
Energy: -0.48641561745915357
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Energy: -0.4864156174602752
Energy: -0.8549832356225564
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Energy: -0.6793459388582774
Energy: -0.5038844055821454
Energy: -0.67934593885996
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Energy: -0.6793459388588383
Energy: -0.35327110869883094
Energy: -0.6741058534415705
Energy: -0.3532710332372527
Energy: -0.6749119114215607
Energy: -0.3532710228512024
Energy: -0.6759752298814878
Energy: -0.3233536453044824
Energy: -0.4254970928763581
Energy: -0.32335364530055655
Energy: -0.4254970938315944
Energy: -0.3233536452882181
Energy: -0.4254970948456933
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Energy: -0.3781659306223766
Energy: -0.5554337550236285
Energy: -0.3781659306257416
Energy: -0.5441178991100667
Energy: -0.37816593061845066

minimum gb energy = -2.727935829327923 eV
minimum distance =  2.39628610989317 Angstroms
sigma value = 57


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

Energy: -0.6478691183031325
Energy: -1.1764232052321728
Energy: -0.6450807828423941
Energy: -1.1807581949933532
Energy: -0.6481465666392393
Energy: -1.1804641652939198
Energy: -0.8430411824209679
Energy: -1.166635775164115
Energy: -0.9092770274611759
Energy: -1.1668223760852279
Energy: -0.8424448045652965
Energy: -1.1825440836179122
Energy: -1.4575733238910662
Energy: -0.6446154627200529
Energy: -1.45238362861242
Energy: -0.645122959541261
Energy: -1.4588148884067809
Energy: -0.6454414075707366
Energy: -0.6266741322752175
Energy: -1.166252598795224
Energy: -0.6360110652806907
Energy: -1.142491596244055
Energy: -0.6256408361392574
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Energy: -1.0399824505190294
Energy: -1.6558492889804681
Energy: -1.0745794588020485
Energy: -1.6676165367877598
Energy: -1.049768958794873
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Energy: -1.4505403809342172
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Energy: -1.1830005720064463
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Energy: -1.4904679679833812
Energy: -1.1965649663748734
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Energy: -1.7099751677382944
Energy: -0.9281304667369008
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Energy: -0.9377838597887578
Energy: -1.7096541374140588
Energy: -0.9003082191993868
Energy: -0.9558246686293507
Energy: -1.1811781147705902
Energy: -0.9558246687389359
Energy: -1.1804024878244497
Energy: -0.9558246697210101
Energy: -1.1813124370928758
Energy: -1.1838991673671782
Energy: -1.1721911643818268
Energy: -1.1510929661355291
Energy: -1.1729609243884584
Energy: -1.1524397649757923
Energy: -1.173278352008188
Energy: -1.0556700579112237
Energy: -1.175677366210145
Energy: -1.0899173532750328
Energy: -1.1758363718202174
Energy: -1.0544793923033995
Energy: -1.176283891665677
Energy: -2.5773067534533527
Energy: -1.1938834621355168
Energy: -1.5549466158746907
Energy: -1.1916974054764993
Energy: -2.4954352410984324
Energy: -1.194190242787771
Energy: -1.082499717163144
Energy: -2.5756120895010315
Energy: -1.0828346822236377
Energy: -1.1918852858836169
Energy: -1.0829544992476012
Energy: -2.4260840183054917

minimum gb energy = -2.581282255747377 eV
minimum distance =  2.39062986462094 Angstroms
sigma value = 17


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

Energy: -1.3570745446622698
Energy: -1.3758525092334992
Energy: -1.357074542750921
Energy: -1.3758525090107432
Energy: -1.3570745459997846
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Energy: -1.4931516328415217
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Energy: -1.9097311894457123
Energy: -1.964177197050612
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Energy: -1.8459586966326011
Energy: -1.8595879170663248
Energy: -1.845915461509443
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Energy: -1.845939709769606
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Energy: -1.6770733676813954
Energy: -1.4088858779073248
Energy: -1.6772744979062026
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Energy: -1.6667306789238636
Energy: -1.4088857218056712
Energy: -1.402864021938678
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Energy: -1.395369403193377
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Energy: -1.3553252129570745
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Energy: -1.9643219788272421
Energy: -1.8520699549051187
Energy: -2.031794344919931
Energy: -1.853552017380575
Energy: -2.0371436248090653
Energy: -1.8557941518242977
Energy: -2.0156165297394595
Energy: -1.7853375046788342
Energy: -1.2985070596290815
Energy: -1.7611972114195218
Energy: -1.298507059476112
Energy: -1.7602665680618657
Energy: -1.2985070589957308
Energy: -1.372504782421664
Energy: -2.0987738391025945
Energy: -1.372504782422691
Energy: -2.098773839207297
Energy: -1.3725047824370684
Energy: -2.098773839161084

minimum gb energy = -2.098773839207297 eV
minimum distance =  2.38722283711105 Angstroms
sigma value = 17


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

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Energy: -2.2620298315819793
Energy: -2.4516268195732063
Energy: -2.2620298429454926
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Energy: -2.658062224914703
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Energy: -2.5248572923902417
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Energy: -2.738695759589504
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Energy: -2.4431218952243303
Energy: -2.2620298345656513
Energy: -2.4501991781841292
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Energy: -2.6716249632795543
Energy: -2.636870754866587
Energy: -2.6716249621006507
Energy: -2.6300588544816343
Energy: -2.671624962610031
Energy: -2.645939193207624
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Energy: -2.421149080713974
Energy: -2.667811490438392
Energy: -2.4211490802173206
Energy: -2.668690368803281
Energy: -2.421149080726268
Energy: -2.587065181573606
Energy: -2.531913290221602
Energy: -2.5870651727224554
Energy: -2.503192541745544
Energy: -2.587065172595228
Energy: -2.505347479631719
Energy: -2.7165895930077
Energy: -2.1262090413295835
Energy: -2.850837535677268
Energy: -2.1262090411900623
Energy: -2.85903036668824
Energy: -2.1262090417763413

minimum gb energy = -3.6853844980760204 eV
minimum distance =  2.37917491558088 Angstroms
sigma value = 57


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

Energy: -3.0970596045588508
Energy: -3.360366159696882
Energy: -3.097059887843534
Energy: -3.360366271250276
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Energy: -3.301706907090848
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Energy: -3.653446312300907
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Energy: -3.3265987621858977
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Energy: -3.6614753377894247
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Energy: -3.7324701150665383
Energy: -3.035407759447226
Energy: -3.64819964223421
Energy: -3.035407764261507
Energy: -3.3956190774009447
Energy: -3.0354077632042946
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Energy: -3.760401345513152
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Energy: -3.7604013477218525
Energy: -3.755020989901473
Energy: -3.760401369105553
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Energy: -3.4240930123696405
Energy: -3.7449745462932946
Energy: -3.4160259636532957
Energy: -3.787223415924506
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Energy: -3.8136133500816123
Energy: -3.0317419104419465
Energy: -3.8552389614276388
Energy: -3.0462790703207356
Energy: -3.8243935645275147
Energy: -3.113182344107362
Energy: -3.7850512563331726
Energy: -2.9434363720615275
Energy: -3.8728182418038246
Energy: -3.186093465585881
Energy: -3.764350688136561
Energy: -2.9467066803886746
Energy: -3.0643466949445965
Energy: -3.9435993676730297
Energy: -3.0643466920291895
Energy: -3.9435996370602657
Energy: -3.0643466966491686
Energy: -3.943599672647308
Energy: -3.4552833183889096
Energy: -3.161017924371488
Energy: -3.475064285706559
Energy: -3.16101831724747
Energy: -3.4210846540186153
Energy: -3.1610179935498994
Energy: -3.7173581763656567
Energy: -3.847177277965552
Energy: -3.715471794789119
Energy: -3.883681731270877
Energy: -3.7123534473218114
Energy: -3.9850771591526155
Energy: -3.5586440730353472
Energy: -4.237141090098373
Energy: -3.558644085614126
Energy: -4.2455274759249715
Energy: -3.5586440828239296
Energy: -4.243691496341597
Energy: -3.36877299471276
Energy: -2.93597021005695
Energy: -3.41595660595294
Energy: -2.935970210013041
Energy: -3.420977717582295
Energy: -2.935970210030475

minimum gb energy = -4.2949351702807474 eV
minimum distance =  2.3743075187665 Angstroms
sigma value = 43


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

Energy: -1.9902696552938126
Energy: -2.5430010492028905
Energy: -1.990269495061295
Energy: -2.5430010487636414
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Energy: -2.017113873896222
Energy: -2.1221541902328935
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Energy: -1.952786664202888
Energy: -2.0170521596580206
Energy: -2.0990903703531685
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Energy: -2.377074562520329
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Energy: -2.4549423024059367
Energy: -2.6994108792111153
Energy: -2.445431702313092
Energy: -2.597760484997293
Energy: -2.3959046811372393
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Energy: -2.3854771032206057
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Energy: -2.3915694012524398
Energy: -2.078906674147004
Energy: -2.3915693992509697
Energy: -2.0768262881827457
Energy: -2.3915694139801
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Energy: -1.9688667457104638
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Energy: -1.96777365023973
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Energy: -2.8155800458081237
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Energy: -2.3691028416261823
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Energy: -2.658475113560574
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Energy: -2.4620930291789014
Energy: -3.1512561105892143
Energy: -2.462093029240019
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Energy: -3.151256109984017
Energy: -2.8518536983785294
Energy: -2.691949818897523
Energy: -2.8505807823500318
Energy: -2.69194981883448
Energy: -2.832851243950689
Energy: -2.6919498188683537
Energy: -2.650374869751646
Energy: -2.7430014694752534
Energy: -2.6540440358122424
Energy: -2.7430013660790906
Energy: -2.675602541971444
Energy: -2.7430013345630733
Energy: -2.5148920255088516
Energy: -3.1371568993714196
Energy: -2.4510305337150955
Energy: -3.2118470867258915
Energy: -2.4605867229046408
Energy: -3.2204336803779987
Energy: -2.81642923772168
Energy: -2.6338071284193094
Energy: -2.8137212650018926
Energy: -2.633807128384067
Energy: -2.855749390326792
Energy: -2.6338071283924926

minimum gb energy = -3.2204336803779987 eV
minimum distance =  2.37441693333006 Angstroms
sigma value = 81


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

Energy: 0.004179981186297778
Energy: -0.10610970791947447
Energy: 0.004179981186297778
Energy: -0.10610970791601722
Energy: 0.004179981186297778
Energy: -0.10610970791774584
Energy: 0.626522412067077
Energy: -0.10669783144896997
Energy: 0.626522412067077
Energy: -0.10669783144896997
Energy: 0.626522412067077
Energy: -0.10669783144896997
Energy: 0.6265370416883052
Energy: -0.10671283048896606
Energy: 0.6265370416883052
Energy: -0.10671283048723744
Energy: 0.6265370416883052
Energy: -0.10671283048723744
Energy: 0.004179981186297778
Energy: -0.10610970791601722
Energy: 0.004179981186297778
Energy: -0.10610970791601722
Energy: 0.004179981186297778
Energy: -0.10610970791601722
Energy: 0.6265224120688059
Energy: -0.10669783145069858
Energy: 0.626522412067077
Energy: -0.10669783145069858
Energy: 0.6265224120688059
Energy: -0.10669783144896997
Energy: 0.6265370416900338
Energy: -0.10671283048896606
Energy: 0.6265370416900338
Energy: -0.10671283048723744
Energy: 0.6265370416900338
Energy: -0.10671283048896606
Energy: 0.004179981186297778
Energy: -0.10610970791601722
Energy: 0.004179981186297778
Energy: -0.10610970791774584
Energy: 0.004179981186297778
Energy: -0.10610970791774584
Energy: 0.626522412067077
Energy: -0.10669783144896997
Energy: 0.626522412067077
Energy: -0.10669783144896997
Energy: 0.626522412067077
Energy: -0.10669783145069858
Energy: 0.6265370416900338
Energy: -0.10671283048723744
Energy: 0.6265370416883052
Energy: -0.10671283048723744
Energy: 0.6265370416883052
Energy: -0.10671283048723744
Energy: 0.004179981186297778
Energy: -0.10610970791774584
Energy: 0.004179981186297778
Energy: -0.10610970791774584
Energy: 0.004179981186297778
Energy: -0.10610970791774584

minimum gb energy = -0.10671283048896606 eV
minimum distance =  2.4321965261691 Angstroms
sigma value = 3


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

Energy: -1.2933464435613584
Energy: -1.1289223087820264
Energy: -1.2933462331969674
Energy: -1.1415925165355771
Energy: -1.2933464013832907
Energy: -1.1139742677822493
Energy: -1.0794629083191773
Energy: -2.838676597612273
Energy: -1.1041295759021401
Energy: -2.5213467126144598
Energy: -1.0668689975409427
Energy: -2.9546586827553782
Energy: -0.9234632455990416
Energy: -3.407806025386686
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Energy: -3.5328570083005584
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Energy: -4.411729466967017
Energy: -0.9951432902205225

minimum gb energy = -5.3151161330300996 eV
minimum distance =  2.31532601466976 Angstroms
sigma value = 67


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

Energy: -4.422083058029566
Energy: -1.7584483649580973
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Energy: -1.8548041464388552
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Energy: -1.3759959030782685
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Energy: -3.9531713316321797
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Energy: -1.7443550543122777
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Energy: -1.629940912029807
Energy: -7.719465008616534
Energy: -1.6062822267184271
Energy: -7.706671550734369

minimum gb energy = -8.178156410665464 eV
minimum distance =  2.40685108316654 Angstroms
sigma value = 33


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

Energy: -3.468273720989414
Energy: -3.336335967641877
Energy: -4.586512359661197
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Energy: -4.778118672636401
Energy: -0.6572931106746542
Energy: -5.201491016573273
Energy: -0.6546247201824045

minimum gb energy = -5.888050122628511 eV
minimum distance =  2.3287020787667 Angstroms
sigma value = 41


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

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Energy: -0.6278262550037935
Energy: -1.8996374370691536
Energy: -0.650629054806002
Energy: -2.006745786821905
Energy: -0.537790361710636
Energy: -1.4241596082468377
Energy: -0.46982511275879246
Energy: -1.4243061844768312
Energy: -0.4692322514315698
Energy: -1.431233549884445
Energy: -3.982856443077484
Energy: -0.855936561100433
Energy: -3.8684730853402742
Energy: -0.8689992386421298
Energy: -1.5211495222885596
Energy: -0.8973807893868903
Energy: -2.5865871363216986
Energy: -0.36083221869474164
Energy: -2.969922829836387
Energy: -0.3494069410715839
Energy: -2.849572893038327
Energy: -0.3485474528849918
Energy: -3.7944669331505527
Energy: -1.3548127597498996
Energy: -3.9538743767815983
Energy: -1.3548127769696503
Energy: -4.231301839350685
Energy: -1.3548127828754766
Energy: -0.6872261543999543
Energy: -1.384573026164745
Energy: -0.6872261527639862
Energy: -1.3845725126459818
Energy: -0.6872260878536046
Energy: -1.3845273099710065
Energy: -1.6757315623696494
Energy: -2.3936674673835605
Energy: -1.6824574171607718
Energy: -2.3677867543697158
Energy: -1.6200475699615469
Energy: -2.3682117650464822
Energy: -1.4690312821314573
Energy: -1.4022964409195156
Energy: -1.5644728737215023
Energy: -1.3889624193333667
Energy: -1.6441738569688675
Energy: -1.3613714109741646

minimum gb energy = -4.231301839350685 eV
minimum distance =  2.39059888443689 Angstroms
sigma value = 11


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

Energy: -0.09508028807193483
Energy: -3.8974440799365793
Energy: -0.09508028669849106
Energy: -2.8653238624695607
Energy: -0.09508028272558394
Energy: -2.2495095832717613
Energy: -1.4714628641940992
Energy: -1.5299445669444791
Energy: -1.369236768567364
Energy: -2.2955394986629982
Energy: -0.7724611488960119
Energy: -2.6976689718373468
Energy: -1.4047052973787169
Energy: -0.3308597861279843
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Energy: -0.33084378533149067
Energy: -2.702804826746896
Energy: -0.3308768216222975
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Energy: -1.8917142775244016
Energy: -1.7479618712323857
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Energy: -1.7025279488986969
Energy: -1.9739137991333133
Energy: -2.112781285726058
Energy: -2.1474058495617565
Energy: -1.8468639375518772
Energy: -2.406541242826209
Energy: -1.8336350603138505
Energy: -2.9132125959353345
Energy: -2.8757393122366324
Energy: -1.6118408207173551
Energy: -2.122456056968366
Energy: -2.4198006552315436
Energy: -1.7074137261982487
Energy: -3.5628120108423706
Energy: -1.4929881260551723
Energy: -2.711966002230801
Energy: -1.9287352080771067
Energy: -3.2421814881052744
Energy: -2.142168041066421
Energy: -3.079478318433039
Energy: -2.575326152838838
Energy: -0.4898882880836377
Energy: -2.373671889615726
Energy: -0.41497808319775054
Energy: -2.4264430251838496
Energy: -0.40584041735500775
Energy: -0.19972755110642482
Energy: -0.3471641332814266
Energy: -0.20301610211431897
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Energy: -3.1878498427447313
Energy: -1.381107678289898
Energy: -2.8454261185479384
Energy: -2.391228654127014
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Energy: -2.0761641170087746
Energy: -2.6282964123926575
Energy: -2.019697522361897
Energy: -2.2633504540964116
Energy: -2.0465131194758133
Energy: -2.8694819842269426
Energy: -2.540945444994355
Energy: -1.2696486568046244
Energy: -2.5041876951168778
Energy: -1.3176550160729545
Energy: -2.5655631436796438
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Energy: -2.5273361197098185
Energy: -1.7824751021676635
Energy: -2.479299321157947
Energy: -1.5521838376854997
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Energy: -2.3715568594128
Energy: -2.080723421741228
Energy: -1.6304900867787986
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Energy: -2.687756463966484
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Energy: -1.8448073223208736
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Energy: -2.312088064690997
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Energy: -1.8744634590857376
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Energy: -1.4405385191461078
Energy: -2.5810097600820767
Energy: -1.2499090644911564
Energy: -2.9374081674314976
Energy: -1.9743568220570833
Energy: -3.5127118189167907
Energy: -1.9011240611528006
Energy: -3.203418413619982
Energy: -1.6855374738152316
Energy: -2.184824672061444
Energy: -1.588007449772865
Energy: -2.448003093392312
Energy: -1.9335746236657696
Energy: -1.6594123498296023
Energy: -1.805500702170803
Energy: -3.275247574918499
Energy: -2.4466455803346436
Energy: -0.44614609881302375
Energy: -1.6515966993884568
Energy: -0.4430696733589277
Energy: -1.7951893889275004
Energy: -2.391278177128146
Energy: -2.12144709323831
Energy: -2.286995801688238
Energy: -1.6604450680673175
Energy: -2.652214916710349
Energy: -3.3860294343582527
Energy: -2.1832498767318023
Energy: -2.74409794580034
Energy: -2.278378954131606
Energy: -2.542455794006877
Energy: -2.8421600956236235
Energy: -1.82758633352943
Energy: -2.2369872626623857
Energy: -2.13809338257826
Energy: -2.4802862052223946
Energy: -1.9193926792936309
Energy: -2.356014733744226
Energy: -3.180986027380679
Energy: -2.9384979899868613
Energy: -1.01429313300611
Energy: -2.2508768102646357
Energy: -2.05273905152799
Energy: -2.64730287709997
Energy: -1.5317221782479578
Energy: -1.663645232969616
Energy: -3.9583546907078917
Energy: -1.5988316914461922
Energy: -3.9759491374231986
Energy: -1.9088051744629606
Energy: -1.7402328263426472
Energy: -2.428975534170524
Energy: -2.7075624094317883
Energy: -2.519548664096488
Energy: -1.6550734579797384
Energy: -2.346159563379157
Energy: -0.9235049278800014
Energy: -2.7346516491260298
Energy: -1.0293673389654736
Energy: -2.812327295404884
Energy: -1.1537848759097142
Energy: -1.0398962113270769

minimum gb energy = -3.9759491374231986 eV
minimum distance =  2.32584828616185 Angstroms
sigma value = 57


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

Energy: -0.5655178690371572
Energy: -3.3819450812103673
Energy: -0.2439327718252688
Energy: -1.4423889734143567
Energy: -0.22156680018690084
Energy: -1.8189857283204356
Energy: -0.8287670201997503
Energy: -1.5887508836639557
Energy: -0.8151320227777062
Energy: -1.4575582093664226
Energy: -0.8119232163703621
Energy: -1.2150593097017441
Energy: -1.0303439883864687
Energy: -1.6089737154607442
Energy: -1.044167854391228
Energy: -1.608120672991939
Energy: -1.0310542472651112
Energy: -1.5759392525368854
Energy: 0.6505353268119766
Energy: -1.139298637884572
Energy: 0.6505353266813266
Energy: -1.1428582863227414
Energy: 0.6505353268548915
Energy: -1.1286133179207292
Energy: -0.8100748731696985
Energy: -1.7142579159357918
Energy: -3.3725074074680528
Energy: -1.7297982158783298
Energy: -0.8139858523777408
Energy: -1.6121208085340384
Energy: -0.8394248865543119
Energy: -0.9351552522033131
Energy: -0.7780377743056065
Energy: -1.3786565977130243
Energy: -0.7899946064942859
Energy: -1.3661352412999237
Energy: -0.5531144947638528
Energy: -1.5925185060253442
Energy: -0.19335740414454464
Energy: -1.5912680589799253
Energy: -0.20409256818250543
Energy: -1.3521335704619468
Energy: -0.8873189668261724
Energy: -1.4330004060534325
Energy: -0.8154238483228883
Energy: -1.4959060609549883
Energy: -0.8123693689719214
Energy: -1.0356913361686773
Energy: -2.2375003825811346
Energy: -1.403243685623114
Energy: -0.8123055012102125
Energy: -1.4116332907503306
Energy: -0.8539222232566563
Energy: -1.613587348899303
Energy: 0.6505353267361724
Energy: -1.0188988406309252
Energy: 0.6505353267122199
Energy: -1.0512367334891184
Energy: 0.6505353267431586
Energy: -1.052447014171824
Energy: -0.8175226338623173
Energy: -1.5700791020324372
Energy: -2.8587671629754303
Energy: -1.7456629894488194
Energy: -1.798677708423784
Energy: -1.672211852207276
Energy: -0.7913884853436293
Energy: -1.3346050606121687
Energy: -0.8051700500626455
Energy: -1.3656770677338508
Energy: -0.8123981407927894
Energy: -1.370550512172106
Energy: -0.5523564811898263
Energy: -1.5083469742830697
Energy: -0.2432455784939291
Energy: -1.6566436171944723
Energy: -0.5604456227005203
Energy: -1.4123060230448687
Energy: -0.7975521379002589
Energy: -1.457587149693046
Energy: -0.8247758681330367
Energy: -1.599244459348118
Energy: -0.9134587264536016
Energy: -1.3951248428073482
Energy: -1.0037117530802324
Energy: -1.5713546415634307
Energy: -1.0201770536985657
Energy: -1.665797590024164
Energy: -1.0267824327302348
Energy: -1.6623433000181385
Energy: 0.6505353266643603
Energy: -1.0421369719913811
Energy: 0.6505353266404078
Energy: -1.1629122401090735
Energy: 0.6505353266962516
Energy: -3.454451730806058
Energy: -3.2437647075006764
Energy: -1.6693152018956805
Energy: -1.5924675352645528
Energy: -1.6107528373664908
Energy: -0.8210753023233224
Energy: -1.5294534027834272

minimum gb energy = -3.454451730806058 eV
minimum distance =  2.38344815808361 Angstroms
sigma value = 9


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

Energy: -2.4223158659040047
Energy: -2.8442563147707394
Energy: -2.2514210546802733
Energy: -2.395246313477603
Energy: -2.2279958129318027
Energy: -2.4274720213800602
Energy: -2.359965960017695
Energy: -2.3668829069994595
Energy: -1.9880189946527551
Energy: -2.393209954299842
Energy: -2.761567701453645
Energy: -2.641448863430395
Energy: -1.9509189891211722
Energy: -2.293158226800981
Energy: -1.9033489108965316
Energy: -2.0206108004271774
Energy: -1.9153576211035186
Energy: -2.1796341897120906
Energy: -2.7871571841206983
Energy: -2.3042290858504924
Energy: -2.3095955437989417
Energy: -2.027607362476903
Energy: -2.5786403784465053
Energy: -2.1033601326447227
Energy: -3.613417464016679
Energy: -1.9587629498188412
Energy: -2.633376463891939
Energy: -3.29092775806326
Energy: -1.791464543271934
Energy: -2.090424463807104
Energy: -3.1901219003617927
Energy: -1.75735496419401
Energy: -2.2559062835498525
Energy: -1.894985041887786
Energy: -3.0523289773883464
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Energy: -2.664569879597233
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Energy: -2.5391486372846805
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Energy: -2.0187088236766764
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Energy: -2.57240838973643
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Energy: -2.3351009164691714
Energy: -2.2676199194028457
Energy: -2.5697180102552553
Energy: -2.762613070665122
Energy: -2.2386125529763947
Energy: -2.156035125510462
Energy: -2.2381542986790626
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Energy: -2.0174363747018362
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Energy: -1.9796827489638325
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Energy: -3.456881165219057
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Energy: -1.9768016239701673
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Energy: -2.401906045967923
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Energy: -2.748641824934588
Energy: -2.3894112025150096
Energy: -3.9847954713839235
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Energy: -4.183689760894227
Energy: -1.8736490713482428
Energy: -4.407935960622053
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Energy: -1.9395498495581052
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Energy: -1.9810099188736174
Energy: -2.5243389262794342
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Energy: -1.8374133106369526
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Energy: -1.9445107160017594
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Energy: -2.035696169526139
Energy: -2.4918932160718503
Energy: -5.12705338514408
Energy: -1.924618911926865
Energy: -3.776392369710174
Energy: -1.8028382384958122
Energy: -3.5680947017577322
Energy: -2.222765160302158
Energy: -2.2278015851701145
Energy: -2.1832936256842106
Energy: -2.1497879444177035
Energy: -2.1996468330849357
Energy: -2.2001909234786323
Energy: -2.3963199267441193
Energy: -1.8643267048331866
Energy: -2.3558597879797376
Energy: -2.134344821696625
Energy: -2.3573086522197118
Energy: -1.8802372208642182
Energy: -1.995436564462589
Energy: -2.96352493472296
Energy: -1.8644852579644866
Energy: -2.087365312710086
Energy: -1.5646722095943606
Energy: -3.372167538454375
Energy: -2.095687430789689
Energy: -2.6722151704076986
Energy: -3.315904783865813
Energy: -2.1486919984512594
Energy: -3.6290999623039717
Energy: -2.356607636715719
Energy: -3.3035348882367077

minimum gb energy = -5.12705338514408 eV
minimum distance =  2.27135622090791 Angstroms
sigma value = 27


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

Energy: -2.1771718194141627
Energy: -2.4364100440956427
Energy: -1.6686403790531643
Energy: -2.0506396120557544
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Energy: -1.7724771079513366
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Energy: -1.1292741538171092
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Energy: -2.319483863603278
Energy: -2.3738091109289807
Energy: -2.0077569958936703
Energy: -1.9590457879161725
Energy: -1.8436131112204968
Energy: -2.291893038807568
Energy: -1.7378164173832864
Energy: 0.7741768324160737
Energy: -2.1380146658925483
Energy: 0.7741768324147
Energy: -2.278263133718128
Energy: 0.7741768324153869
Energy: -2.0900944461627446
Energy: -1.0584303237890265
Energy: -2.0241766869912903
Energy: -0.8318651645941234
Energy: -2.0896637725957974
Energy: -0.8748184808311559
Energy: -1.8327158981954637
Energy: -1.5562578739803858
Energy: 0.7500141501681961
Energy: -1.3903638736137478
Energy: 0.7500141501681961
Energy: -1.3974497090068159
Energy: 0.7500141501702567
Energy: -2.057465734442355
Energy: -1.1303645145164434
Energy: -1.9332683121974763
Energy: -1.208097087573269
Energy: -2.1781814209829897
Energy: -2.9566428353975844

minimum gb energy = -4.043844917258886 eV
minimum distance =  2.29118655770233 Angstroms
sigma value = 19


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

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Energy: -1.142973148489671
Energy: -0.9782213866939106
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Energy: -1.0997447760012675
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Energy: -1.105526302704063
Energy: -0.7308675295341769
Energy: -1.8520006873259651
Energy: -1.279805780659397
Energy: -1.6898530942892598
Energy: -1.288987531804306
Energy: -1.756370724147033
Energy: -1.2535701674546669
Energy: -1.0746788473551594
Energy: -1.1880395412075309
Energy: -1.192962291438383
Energy: -1.5132532977434163
Energy: -1.1467081666082168
Energy: -1.2534369371467278
Energy: -1.2633849532938168
Energy: -1.1904398290828397
Energy: -1.3543237967412733
Energy: -1.1093782686789952
Energy: -1.2058060586856492
Energy: -1.1538005974763568
Energy: -1.3962718642151954
Energy: -1.4065021274779481
Energy: -1.3611998018441107
Energy: -1.2922570585279767
Energy: -0.9731300224867796
Energy: -1.0047286231511494
Energy: -1.5317306491697034
Energy: -1.4045160541162824
Energy: -1.0477159104561755
Energy: -1.2827614691065767
Energy: -0.7398344452128772
Energy: -1.0579524699982896
Energy: -1.7587576806137897
Energy: -1.5512218236920043
Energy: -1.4100709466067156
Energy: -1.5047941554243311
Energy: -1.7559457972561159
Energy: -1.3821400712024683
Energy: -1.2551777890595939
Energy: -0.9962925702229373
Energy: -1.2903530209731078
Energy: -0.954698799378572
Energy: -1.2938575595576733
Energy: -1.0460771669798603
Energy: -1.3499616111270079
Energy: -1.0614165015102013
Energy: -1.2765054848457291
Energy: -1.3553708071652084
Energy: -1.4720230067795586
Energy: -1.3194462076865026

minimum gb energy = -2.6103203237811194 eV
minimum distance =  2.30672607066532 Angstroms
sigma value = 101


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

Energy: -1.7209900291225968
Energy: -1.0267112822156186
Energy: -1.2479448180231656
Energy: -0.8017472485857012
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Energy: -1.4515504618328041
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Energy: -1.1995640637758778
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Energy: -1.381624163858797
Energy: -1.2925400275339252
Energy: -1.2721498701915224
Energy: 0.7514112648146947
Energy: -1.4109404262178387
Energy: 0.7514112648131311
Energy: -1.2627105635690412
Energy: 0.7514112648167796
Energy: -1.1354459140116542
Energy: -1.6260850970703224
Energy: -1.197819975303189
Energy: -1.688383117883887
Energy: -1.520085050111114
Energy: -1.6665851203517623
Energy: -1.354392967940273
Energy: -1.5794847520744044
Energy: -1.3214412722527247
Energy: -4.071118904344034
Energy: -1.379601274218649
Energy: -3.7024564177894708
Energy: -2.9542598418181343
Energy: -1.1696241781543255
Energy: -1.104636907173945
Energy: -1.3373230052015208
Energy: -1.1786704848266478
Energy: -1.1761197429355388
Energy: -1.4043572479789892
Energy: -1.085838722838037
Energy: -1.2898158313269867
Energy: -1.0545384739522454
Energy: -3.3439509651422537
Energy: -1.016688614586648
Energy: -1.5764849493500024

minimum gb energy = -4.334730352687934 eV
minimum distance =  2.28358779573955 Angstroms
sigma value = 33


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

Energy: 0.016602357397502494
Energy: 0.4819258847986546
Energy: 0.01660235739793554
Energy: 0.4819258847990636
Energy: 0.016602357397502494
Energy: 0.4819258847986546
Energy: 0.017249962187231332
Energy: -5.397223249612687
Energy: 0.017249962185956248
Energy: -5.397223249614371
Energy: 0.017249962186798286
Energy: -5.397223249609729
Energy: 0.48163330261811604
Energy: -5.398849359121054
Energy: 0.48163329454192555
Energy: -5.398849359132482
Energy: 0.48163329470910593
Energy: -5.398849359132073
Energy: 0.017249962187231332
Energy: -5.397223249609295
Energy: 0.017249962186365243
Energy: -5.397223249612255
Energy: 0.017249962187231332
Energy: -5.397223249614371

minimum gb energy = -5.398849359132482 eV
minimum distance =  2.45522386146535 Angstroms
sigma value = 1