Model name: model_name=EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700475549697878
cohesive_energy=4.000384142553119
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.58308598695566e-20, 1.4747523219447118e-19, 2.0469729111310797e-19, 2.6357407805934e-19, 3.16516402753236e-19, 3.6464739101522997e-19, 4.0767544669793395e-19, 4.44914838201996e-19, 4.771938908471939e-19, 5.059930158433439e-19, 5.32145345040126e-19, 5.5559480225535e-19, 5.760065325725099e-19, 5.932587705674219e-19, 6.073707423596939e-19, 6.18436976370732e-19, 6.266080772041319e-19, 6.322317171894719e-19, 6.35931143037378e-19, 6.38222255623998e-19, 6.39513609991002e-19, 6.402377938295699e-19, 6.407056294066979e-19, 6.40881868836438e-19, 6.406607684609459e-19, 6.398789062635539e-19, 6.38334407988378e-19, 6.357837427870499e-19, 6.320426603466599e-19, 6.27354691515576e-19, 6.220899390962519e-19, 6.166249145976779e-19, 6.114146361839099e-19, 6.067442912958e-19, 6.018464373256619e-19, 5.95804629238848e-19, 5.87508558627996e-19, 5.75282348733942e-19, 5.539717973251079e-19, 5.13250875995364e-19, 4.391213674934519e-19, 3.16963410034122e-19, 1.362519848733012e-19, -1.12667464167831e-19, -4.51371610037016e-19]
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: 0.014723270313520328
Energy: 0.015739690077401985
Energy: -3.6619320783642437
Energy: -5.2071508469537084
Energy: 0.015739690078000558
Energy: -3.0995659916684324
Energy: -5.034152544906976
Energy: -3.0609966158691635
Energy: -3.5763995951628913
Energy: -5.2148320485486375
Energy: 0.014723270313520328
Energy: 0.015739690078000558
Energy: -5.131282481563013
Energy: -3.0251207448270465
Energy: 0.015739690077401985
Energy: -3.1305131575933074

minimum gb energy = -5.2148320485486375 eV
minimum distance =  2.36369938323268 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: -5.003419599832731
Energy: -4.395316901015418
Energy: -4.644826516775677
Energy: -4.379775694664086
Energy: -4.686594981512608
Energy: -4.386646020102715
Energy: -4.867604212898072
Energy: -4.596152601382057
Energy: -4.660268902210031
Energy: -4.589687313338972
Energy: -4.492163081238717
Energy: -4.685680210167908
Energy: -4.638536713974011
Energy: -4.274911595680941
Energy: -4.741435509766414
Energy: -4.250787950678174
Energy: -4.731810618319483
Energy: -4.2001528657572065
Energy: -4.809052391976455
Energy: -3.6975627865962473
Energy: -4.5483530939405785
Energy: -3.9363890220699087
Energy: -4.892677489160008
Energy: -3.763098816766019
Energy: -4.231413010136618
Energy: -3.864337657207752
Energy: -4.417152956342457
Energy: -3.4322913613414503
Energy: -4.267821177215428
Energy: -4.263166253128356
Energy: -4.434055134216214
Energy: -4.0620944137243225
Energy: -4.72772238432108
Energy: -3.7743113677481066
Energy: -3.936961435533393
Energy: -3.4608788447862917
Energy: -4.88739248983115
Energy: -4.1556556391827275
Energy: -4.610577769560597
Energy: -4.335941779492409
Energy: -4.549266730846782
Energy: -5.314574009305054
Energy: -4.014115295588443
Energy: -5.493996698312592
Energy: -4.54088089976154
Energy: -5.298485637997897
Energy: -4.516340265396267
Energy: -5.41408602924782
Energy: -4.887919314659583
Energy: -3.7197454676468773
Energy: -4.280086768499169
Energy: -3.699876367511658
Energy: -4.5038798524264445
Energy: -4.099147700715381
Energy: -4.754281218045781
Energy: -4.0390336852833295
Energy: -4.728276127149642
Energy: -4.313411083618886
Energy: -4.484402163481252
Energy: -4.283450599562208
Energy: -4.483559340518603
Energy: -4.368006737458595
Energy: -4.472886872852515
Energy: -4.515898195222525
Energy: -4.784664793554249
Energy: -4.765346590062397
Energy: -4.413201098959996
Energy: -4.807819027169804
Energy: -4.649277871231715
Energy: -4.905560936763134
Energy: -5.230495479205483
Energy: -4.549638824003047
Energy: -4.657353944099333
Energy: -4.4004440854161615
Energy: -4.463933133756816
Energy: -4.645746699479427
Energy: -4.69933358427823
Energy: -4.592445739450666
Energy: -4.779639246624409
Energy: -4.59845899705438
Energy: -5.000624158708904
Energy: -4.460894045286569
Energy: -4.743845390629123
Energy: -4.521802129782625
Energy: -4.730094872850666
Energy: -4.442747658470638
Energy: -4.465100176293818
Energy: -4.254844537564068
Energy: -4.328534992855869
Energy: -3.6707091107904644
Energy: -4.7333359927083505
Energy: -3.72873036470617
Energy: -4.9122782840566135
Energy: -3.5740737767562476
Energy: -4.652536511703265
Energy: -3.880199587767079
Energy: -4.295185611891612
Energy: -5.220623285031084
Energy: -4.583118292888642
Energy: -5.420728569387721
Energy: -4.760999105624907
Energy: -4.107308393906129
Energy: -5.053122848208498
Energy: -4.369505975612054
Energy: -3.7622535899469463
Energy: -4.44848188429173
Energy: -4.5937830707591445
Energy: -3.98753644820095
Energy: -4.541624356167539
Energy: -4.1280229019592625
Energy: -4.539980661412511
Energy: -3.9493517361892017
Energy: -4.565795910432964
Energy: -3.8691056098357426
Energy: -4.014158622992526
Energy: -3.950016547042599
Energy: -4.432952316309568
Energy: -4.044885450484139
Energy: -4.836283764793037
Energy: -4.424940055504221
Energy: 0.16476313882347662
Energy: -3.8092841658428807
Energy: -4.718761803919546
Energy: -3.5677967733881797
Energy: -4.332999705267035
Energy: -4.758514420817748
Energy: -4.268701468689329
Energy: -4.6774918650021835
Energy: -4.6292363918453745
Energy: -4.466963648788469
Energy: -4.633565069015473
Energy: -4.600124943051751

minimum gb energy = -5.493996698312592 eV
minimum distance =  2.16442259222939 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: -3.675336439384305
Energy: -3.880791534400518
Energy: -3.839740827047304
Energy: -3.6880757376157396
Energy: -3.4376388844974963
Energy: 0.22228262967660045
Energy: -3.7945660081386
Energy: 0.22228334076579767
Energy: -3.785639570752962
Energy: -3.4697032911064234
Energy: -3.8495727035670884
Energy: -3.360477610007922
Energy: -3.6288158295114874
Energy: -3.8017164479507857
Energy: -3.6085762615929737
Energy: -3.636475824265997
Energy: -3.569420348083499
Energy: 0.37368802911060767
Energy: -3.9336634900690903
Energy: 0.373688018700259
Energy: -3.9724221232848804
Energy: -2.976111835356752
Energy: -3.5248339289690005
Energy: -3.0746366961556775
Energy: -3.8998138065354335
Energy: -4.350023554675447
Energy: -3.933718431645451
Energy: -4.291008392540632
Energy: -3.8916707631012195
Energy: -4.109019214132581
Energy: -3.815794475449366
Energy: -4.172927565368622
Energy: -3.9318114690137134
Energy: -4.248843775827173
Energy: -4.0608489194044175
Energy: -4.205740595624734
Energy: -3.97102848311071
Energy: -4.132141299729059
Energy: -4.141511305490861
Energy: -4.104531463313443
Energy: -3.519519523904226
Energy: -4.160268117199294
Energy: -3.885665795741733
Energy: -4.0456971056755515
Energy: -3.798622893639241
Energy: -3.9898718595650267
Energy: -3.6946977698960315
Energy: -4.055218347243376
Energy: 0.3305441017492849
Energy: -3.5529905884888935
Energy: -3.801560792420984
Energy: -3.56018442453431
Energy: -3.9994569908010686
Energy: -3.670641841276922
Energy: -3.759931010272052
Energy: -3.594311862376349
Energy: -4.075192539424914
Energy: -3.5161868049493896
Energy: -3.799491143382757
Energy: -3.601845217320584
Energy: -3.9627428846561408
Energy: -3.7464643108648303
Energy: -4.003955280625517
Energy: -3.7626551289739387
Energy: -3.767306884349982
Energy: -3.799760683557554
Energy: -3.8792645656012246
Energy: -3.553669061620705
Energy: -3.972955786750738
Energy: -3.637463855326711
Energy: -3.858286272158503
Energy: -3.304717418298952
Energy: -3.8387435376897985
Energy: -3.422324014037923
Energy: -3.9099150518869004
Energy: -3.340291654041144
Energy: -3.8600321838574185
Energy: -3.7581478403939483
Energy: -3.756964655316931
Energy: -3.518507603664136
Energy: -3.9127798588030687
Energy: -4.275753096634973
Energy: -3.967626969192068
Energy: -4.256224530894842
Energy: -4.1266387131818245
Energy: -3.1336733129932206
Energy: -4.117416668072818
Energy: -3.109931061240842
Energy: -3.491614775179228
Energy: -3.9790774218595657
Energy: -3.9762876368569104
Energy: -3.9710305574149825
Energy: -3.8399192476794224
Energy: -4.045638098821631
Energy: -3.834834308345002
Energy: -3.978212317416954
Energy: -3.584875036064944
Energy: -3.6283867116342177
Energy: -3.636127719817335
Energy: -3.470062909162309
Energy: -3.753245342403012
Energy: -3.4524837158549637
Energy: -3.5420175664060927
Energy: -3.466526196851928
Energy: 0.3178623345334077
Energy: 0.3101326833339172
Energy: -3.84630175922744
Energy: 0.3101326782210128
Energy: -3.645041130671966
Energy: -3.0773333365490516
Energy: -3.835023579326361
Energy: -3.2064283703390406
Energy: -3.7265565925071433
Energy: -3.72870158230597
Energy: -3.788279204756286
Energy: -3.438981887715059

minimum gb energy = -4.350023554675447 eV
minimum distance =  2.16426890155209 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: -2.6809174444559574
Energy: 0.2451834229503527
Energy: 0.10791435863734489
Energy: 0.09404108592461241
Energy: -2.4211321782273703
Energy: 0.3045907636278003
Energy: -2.6647403246666377
Energy: 0.30459076365377924
Energy: -2.512021086871533
Energy: -2.936731181105543
Energy: -2.670878229182827
Energy: -2.9844411708494607
Energy: -2.635463965093241
Energy: -2.4942829496492926
Energy: 0.1907248462502051
Energy: -2.3353452155948617
Energy: -2.617718381777772
Energy: -2.7665973848463943
Energy: -2.857952059283867
Energy: -2.7250259616122103
Energy: -2.5931040774790772
Energy: 0.38799607190518653
Energy: -2.94673071569218
Energy: 0.3842191689206022
Energy: -2.522589581945685
Energy: -2.630379116766679
Energy: -2.4851812923618155
Energy: -2.564934679460174
Energy: -2.9705915228278488
Energy: -2.255340240256759
Energy: -2.623204706242577
Energy: -2.2322385524504016
Energy: -2.6648002748342776
Energy: -2.8524220330200465
Energy: -2.472905113127703
Energy: -2.9270155048828843
Energy: -2.9077454084541197
Energy: -2.8497952445691084
Energy: -2.8637919635681754
Energy: -2.875372608244875
Energy: 0.18665357868678037
Energy: 0.34326046948792194
Energy: -2.823457878268072
Energy: 0.3432621309279733
Energy: 0.19430482377615083
Energy: -2.4888995105712355
Energy: -2.810138865976112
Energy: -2.493883879064532
Energy: 0.1154165445800954
Energy: -2.886241764074591
Energy: -2.8644910351598196
Energy: -2.7831529464886064
Energy: 0.16139347875738036
Energy: -2.896565710820359
Energy: -2.678523670478027
Energy: -2.987540094363063
Energy: -2.7004154026292277
Energy: -2.5898147649550856
Energy: -2.641503928447177
Energy: -2.4964344351311394
Energy: -2.368009269102417
Energy: -2.502059123825403
Energy: -2.8473625146500035
Energy: -2.4887510294627764
Energy: -2.685417592653076
Energy: -2.70747599510975
Energy: -2.637463329664343
Energy: -2.9854940652031137
Energy: -2.443863545538272
Energy: -2.9432929994734414
Energy: -2.5220062177338014
Energy: -2.8504471955863755
Energy: -2.6781864341630253
Energy: -2.444665905479108
Energy: -2.8550074726412955
Energy: -2.5725322556151204
Energy: -2.820645027075468
Energy: -2.9762464126183255
Energy: -2.7558397699954997
Energy: -3.0716274003737016
Energy: -2.551958224295505
Energy: 0.11208040449284375
Energy: -2.564157655885054
Energy: 0.14316577869355707
Energy: -2.7677775081194036
Energy: 0.23002901287680916
Energy: -2.0878953580683
Energy: 0.22962292938574394
Energy: 0.42381773757749275
Energy: -2.4198347887244678
Energy: -2.426233563516943
Energy: -2.3257192308210333
Energy: -2.78544383304525
Energy: -2.8669786528717527
Energy: 0.19899444442586678
Energy: -3.0240251131189098
Energy: -2.459197272574052
Energy: 0.08830299872651091
Energy: -2.6516733744885324
Energy: 0.08830299879574444

minimum gb energy = -3.0716274003737016 eV
minimum distance =  2.24678288934701 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: -1.6028325102230891
Energy: -2.074737424622588
Energy: -2.0476678740664647
Energy: -2.2831635459243005
Energy: 0.28400511961351144
Energy: -2.165717178944216
Energy: -1.4740001731946306
Energy: -2.2168962852482625
Energy: -2.145033326579066
Energy: -1.3855216702801798
Energy: -2.4389847119214783
Energy: -1.2897423991909236
Energy: -1.9258829958183696
Energy: -1.874965895057967
Energy: -1.950614345576606
Energy: -1.9723726570910494
Energy: -1.5788335643867883
Energy: -2.0226968419457894
Energy: -1.9824080217288795
Energy: -2.0057670043148703
Energy: -2.200150947938279
Energy: -1.9249280702413232
Energy: -1.7245219104125915
Energy: -2.0042534624298285
Energy: -1.760412408420841
Energy: -2.047981581208176
Energy: -1.901643380221757
Energy: -2.017805886433938
Energy: -1.8734157926351231
Energy: -1.9252225910211547
Energy: -2.1461174262523297
Energy: -1.851394227459872
Energy: -1.7230364419563902
Energy: -2.0183087523544554
Energy: -1.8960645851064997
Energy: -2.047162542805098
Energy: -2.099597109731928
Energy: -2.080461804503988
Energy: -1.6955529122188646
Energy: -2.015700332474283
Energy: -1.9578330784783546
Energy: -2.287713394954212
Energy: -2.022680013895917
Energy: -2.4271910514064263
Energy: -1.5599238692947193
Energy: -2.2196154495196323
Energy: -2.0071986403030824
Energy: -2.2080405353373234
Energy: -2.212911268485347
Energy: -1.4069513379646403
Energy: -1.9575906350629506
Energy: -1.3785477077330464
Energy: -1.9111000977478292
Energy: -2.1906475197546325
Energy: -2.1428668082839444
Energy: -2.1797263217029976
Energy: -1.9283846982213835
Energy: -1.968992707301346
Energy: -2.0398741894327066
Energy: -1.8989654305358359
Energy: -2.370607650911498
Energy: -1.818435999705597
Energy: -1.9664897996907187
Energy: -1.9569180933005972
Energy: -1.7207163631125344
Energy: -2.0886852968860756
Energy: -2.0826116859482373
Energy: -2.0379683327131546
Energy: -1.683195011158307
Energy: -1.9627105426814637
Energy: -1.859529765843997
Energy: -1.9518895477533467
Energy: -1.790029352428899
Energy: -1.9527878917386945
Energy: -1.6656969383026745
Energy: -2.005000659619337
Energy: -2.1309022244285396
Energy: -1.9651135461429663
Energy: -1.8584771747377582
Energy: -2.046194100685296
Energy: -1.702050052091164
Energy: -2.2602569308700518
Energy: -2.1368544647678616
Energy: -2.2427451057563537

minimum gb energy = -2.4389847119214783 eV
minimum distance =  2.19358614135008 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: -1.6716117557298171
Energy: -1.6703027456875963
Energy: -1.5988102859214866
Energy: -1.7520444319716817
Energy: -1.6329513570337213
Energy: -1.3822743589700819
Energy: -1.6601565934625837
Energy: -1.339818606383193
Energy: -1.7147934123650281
Energy: -1.5479980235208173
Energy: -1.1176147727429955
Energy: -1.5815030036744595
Energy: -1.5211922410593877
Energy: -1.4325939314880227
Energy: -1.4621808637660507
Energy: -1.4415624769464135
Energy: -1.2238863202955588
Energy: -1.5595894752346007
Energy: -1.5268780282799026
Energy: -1.484050293325794
Energy: -1.773656620532905
Energy: -1.4487746041508058
Energy: -1.3523084311958713
Energy: -1.4455482475513777
Energy: 1.0054489959627342
Energy: -1.557871183117634
Energy: -1.2535396314196212
Energy: -1.494473548048356
Energy: -1.4045253915941909
Energy: -1.5631915941729326
Energy: -1.4720181011537767
Energy: -1.616053952452618
Energy: -1.6527621997997781
Energy: -1.918204640059225
Energy: -2.1657498121120042
Energy: -1.8286540934712299
Energy: -1.6033916803688133
Energy: -1.940285762341743
Energy: -1.6475838577602806
Energy: -1.8225911023653583
Energy: 0.8337606804196083
Energy: -1.611137608452711
Energy: -1.7015269512280145
Energy: -1.801864150222472
Energy: -1.5569560873402166
Energy: -1.7571176875257695
Energy: -1.6960997264056226
Energy: -1.6515503588258018
Energy: -1.3850508265105106
Energy: -1.4471730706118768
Energy: -1.2277161458219543
Energy: -1.4420585018695635
Energy: -1.2150937361327996
Energy: -1.4828904438996429
Energy: -1.5714254212774763
Energy: -1.7274600072110013
Energy: -1.2120095389003174
Energy: -1.4697623476571111
Energy: -1.2788817322360486
Energy: -1.4342258426943464
Energy: -1.4153194172584533
Energy: -1.53940903753561
Energy: -1.4648260820350993
Energy: -1.6252846603386353
Energy: -2.1498679436190242
Energy: -1.7818044686380032
Energy: -1.7067497586901739
Energy: -1.8619554887708203

minimum gb energy = -2.1657498121120042 eV
minimum distance =  2.18760090834406 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.6063853562227044
Energy: 0.5858040294854742
Energy: 0.5921591930145637
Energy: -1.883467846987586
Energy: 0.6082252164427465
Energy: 0.8203290419175904
Energy: 0.5176968424628173
Energy: 0.8203290588449985
Energy: 0.642858989984365
Energy: 0.5384642557339328
Energy: 0.5621519254411176
Energy: 0.5383757985348991
Energy: -0.7437249804039624
Energy: 0.7759245630764525
Energy: 0.5615410025692403
Energy: 0.7800176209882601
Energy: 0.5783089327685811
Energy: -0.888001949845518
Energy: 0.8605873502617319
Energy: -0.8851385431039795
Energy: 0.6553439364949988
Energy: 1.083004662724467
Energy: 0.729611138993328
Energy: 1.0830046627839585
Energy: 0.5810349407126008
Energy: -0.7035102750698018
Energy: -1.0478001982686156
Energy: -0.6309101815731711
Energy: 0.5278288433998425
Energy: 0.5023877959112822
Energy: 0.7252583800395594
Energy: 0.5023880662182283
Energy: 0.551835152692808
Energy: -2.1288894179888853
Energy: 0.645855090576707
Energy: -1.901514728914302
Energy: 0.504248440283227
Energy: -1.0969103335178816
Energy: 0.5785683438277884
Energy: -1.2132261601412242
Energy: 0.6626845900328758
Energy: 0.7205211145722275
Energy: 0.8639104718568184
Energy: 0.7205268424916665
Energy: 0.5252405765792696
Energy: 0.8079864952704189
Energy: -0.5838024649758792
Energy: 0.8172968494034161
Energy: 0.598910026473836
Energy: -0.568627586073873
Energy: -0.6490554975765662
Energy: -0.4376751655012295
Energy: 0.5176386346315655
Energy: 0.6455004256052732
Energy: 0.9102304614445649
Energy: 0.6391512040477371
Energy: -0.806581912972946
Energy: -1.3410185372829313
Energy: 0.5837131086201867
Energy: -1.0770191555251594
Energy: 0.552314771698686
Energy: 0.6128544726825695
Energy: 0.5863071309435511
Energy: 0.6128544732884444
Energy: 0.588989980798758
Energy: 0.6369182695270349
Energy: 0.6900170402047501
Energy: 0.6369099287126831
Energy: 0.5581923717291711
Energy: -0.6175938390880038
Energy: -0.6503374625086599
Energy: -0.6888089630850415
Energy: -0.7340106411837732
Energy: -0.6480082194430805
Energy: 0.677005100157702
Energy: -0.742354040079605
Energy: 0.6791519718485977
Energy: -0.9003973550292834
Energy: 0.6036445916712664
Energy: -0.776056367645007
Energy: -0.8369937096046373
Energy: -0.6356656465815488
Energy: 0.5351746939338674
Energy: -0.6424649981041716
Energy: -0.7647541743403647
Energy: -1.5413642622327355
Energy: 0.5971948412382385
Energy: -1.8798678375278026
Energy: 0.5904689843586031
Energy: -1.0067427486808038
Energy: 0.5892339456528436
Energy: -1.9673340986041103
Energy: 0.6285584470054333
Energy: -1.0616641524561874
Energy: 0.522152116710056
Energy: -1.1414856264360573
Energy: -0.6352677078976675
Energy: -0.37614642964600753
Energy: 0.49754398413240214
Energy: -0.45947556063555356
Energy: -0.5485609505194293
Energy: -0.8186811159613664
Energy: 0.8058169777850217
Energy: -0.8159197823539039
Energy: 0.7248359765237924
Energy: 0.9048942623650965
Energy: -1.0049523498674
Energy: 0.9048942623441942
Energy: 0.7842956207241402
Energy: 0.6321978027054802
Energy: 0.49734515745210656
Energy: 0.6322991836820494
Energy: 0.6230992829901121
Energy: 0.9052269734941301
Energy: 0.5564048235603251
Energy: 0.9052269736154512
Energy: 0.5929965335759254
Energy: -1.2631375665698474
Energy: 0.5159366000581442
Energy: -1.2151182824388511

minimum gb energy = -2.1288894179888853 eV
minimum distance =  2.19095966523755 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.4459392824604169
Energy: 1.0386344383806667
Energy: 0.8567173213039302
Energy: -0.018261514908355304
Energy: 0.7131213654213148
Energy: 0.4183124657378933
Energy: -0.20138641599898882
Energy: 0.4091018928591528
Energy: -0.02944703958476041
Energy: 0.2686333404446629
Energy: -0.05851738611271003
Energy: 0.35793896367811534
Energy: 0.6793995667813552
Energy: 0.6963892422828527
Energy: -0.16851585659682938
Energy: 0.7610912938497024
Energy: 0.7519324738051686
Energy: 0.7641570612568522
Energy: 0.976213554099298
Energy: 0.7620788728939444
Energy: -0.15088235813518597
Energy: 0.8760730948288633
Energy: 1.0180852957366244
Energy: 0.1450027497746941
Energy: 0.7526463657762632
Energy: 0.8237287580611433
Energy: 0.03522156225386709
Energy: 0.00339043668424062
Energy: 0.6958691383373632
Energy: -0.13412518564341558
Energy: -0.22807193479982651
Energy: -0.04206958984698301
Energy: 0.12232226221571828
Energy: -0.32335684641398493
Energy: -0.1786179210840444
Energy: -0.1498551321205567
Energy: 0.2986225848974223
Energy: 0.4584930431943376
Energy: -0.2599484873049334
Energy: 0.4844959206044488
Energy: 0.6259399656629453
Energy: 0.060890753065355206
Energy: 1.0106709561205829
Energy: 0.030871888776158624
Energy: 0.7878715232583583
Energy: -0.09897558292315059
Energy: 0.9679518700449898
Energy: -0.12963983148612368
Energy: 0.6448200175812117
Energy: -0.31266885146104334
Energy: 0.809197869188713
Energy: -0.3106187746596893

minimum gb energy = -0.32335684641398493 eV
minimum distance =  2.19141044662749 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.2266410096531535
Energy: 0.644796123685784
Energy: 0.7534574638726506
Energy: 0.7751951934218156
Energy: 0.7130948642020952
Energy: 1.0557226357416272
Energy: 0.861556083804089
Energy: 1.0557226357423124
Energy: 0.7480345891573212
Energy: 0.5666407714901225
Energy: 0.7502901402983787
Energy: 0.5666416767817204
Energy: 0.751813663997281
Energy: 0.840754393411156
Energy: 0.1773011498356251
Energy: 0.8407543933351196
Energy: 0.6915538919059134
Energy: 0.9339734943107796
Energy: 0.07384900907091142
Energy: 0.9339734443798785
Energy: 0.8535536533944099
Energy: 0.9829782722353414
Energy: 0.696134021515701
Energy: 0.9829782584768295
Energy: 0.8511926032595395
Energy: 0.3384850330980755
Energy: 0.7428046726551547
Energy: 0.3471932341923128
Energy: 0.8683886583042241
Energy: 0.670235371025859
Energy: 0.6440242899056273
Energy: 0.6702353710333941
Energy: 0.7139511763847216
Energy: 0.8435582917785334
Energy: 0.9748377042053747
Energy: 0.8435583193072023
Energy: 0.8370875064713427
Energy: 1.1112227915893464
Energy: 0.5758941079949516
Energy: 1.1112227913093016
Energy: 0.6544028031740728
Energy: 0.6388919514624594
Energy: 0.949231547921279
Energy: 0.6388920063835422
Energy: 0.7969838838224546
Energy: 0.7655516867158195
Energy: 0.016765508727849147
Energy: 0.7655516867719905
Energy: 0.8259728520195606
Energy: 0.5599162002284994
Energy: 0.8202686776207206
Energy: 0.5599126104709912
Energy: 0.7506454752229283
Energy: 0.37930580844947615
Energy: 0.7850835402823346
Energy: 0.37930581580736805
Energy: 0.6989385313351445
Energy: 0.8571589915017345
Energy: 0.7567754861719328
Energy: 0.8571590331147938
Energy: 0.6833925123855126
Energy: 1.050279568386673
Energy: 0.7299230877072623
Energy: 1.0502795684044834
Energy: 0.584008233614096
Energy: 1.1785109529813118
Energy: 0.69885733031512
Energy: 1.178510952987477
Energy: 0.6976836549737201
Energy: 0.6196396115212783
Energy: 0.7670650828686436
Energy: 0.6196396129413688
Energy: 0.8126406913529368
Energy: 1.180441954323467
Energy: 0.8150690900493592
Energy: 1.1804419542468079
Energy: 0.6400905414310658
Energy: 0.9126139000229943
Energy: 0.7893649621229395
Energy: 0.9126138986001637
Energy: 0.6790852991157184
Energy: 0.9141464972912124
Energy: 0.7004646012930349
Energy: 0.9141464972248287
Energy: 0.004995288502940183
Energy: 0.9354969012690176
Energy: 0.5547664897184191
Energy: 0.9354969012245541
Energy: 0.09286764243604151
Energy: 0.8965479800535086
Energy: 0.7254986262240246
Energy: 0.8965479800254231
Energy: 0.7361585413330061
Energy: 0.15363121291841303
Energy: 0.8489539933806164
Energy: 0.15916929622707596
Energy: 0.6272147419258924
Energy: 0.40838260438899526
Energy: 0.8696427142332355
Energy: 0.408225748626052
Energy: 0.7137826788358766
Energy: 1.1596510834139424
Energy: 0.7480406665993211
Energy: 1.1596510834070923
Energy: 0.4050702484199479
Energy: 1.0113634001844178
Energy: 0.9953876834376278
Energy: 1.0113633982747936
Energy: 0.9489637628855293
Energy: 0.6913754007078219
Energy: 0.7351833052210461
Energy: 0.6913744637868912
Energy: 0.7242311670017978
Energy: 0.7572667170035403
Energy: 0.8323578854338798
Energy: 0.7572667173958649
Energy: 0.8142746660689559
Energy: 0.4890091989620871
Energy: 0.8253280175719544
Energy: 0.4890092076804735
Energy: 0.7362073652698656
Energy: 0.6776133376732967
Energy: 0.7356971167337358
Energy: 0.6776133376774067
Energy: 0.7030303536752264
Energy: 0.9094430345386848
Energy: 0.3891470396583185
Energy: 0.9094430374644298
Energy: 0.7408534355826843
Energy: 0.9716521010954403
Energy: 0.6370736015322711
Energy: 0.9716521010289941
Energy: 0.6514164305834359
Energy: 1.1700025569448667
Energy: 0.726288807306194
Energy: 1.1700025569428116
Energy: 0.7838766512435871
Energy: 0.6556925413034276
Energy: 0.3021348989453309
Energy: 0.6556925407556677

minimum gb energy = 0.004995288502940183 eV
minimum distance =  2.2291363505573 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.7609796899562996
Energy: 0.7791450850320244
Energy: 0.5961543534294056
Energy: 0.6174482266046065
Energy: 0.6205140794830744
Energy: 0.818876500523665
Energy: 0.7455685614568622
Energy: 0.8081051074881548
Energy: 0.7362325196210783
Energy: 0.9066935317669926
Energy: 0.7992561322821022
Energy: 0.9066935318723653
Energy: 0.6785521876016924
Energy: 0.8239114381505971
Energy: 0.5968697918967959
Energy: 0.8239043907937655
Energy: 0.8665604770443559
Energy: 0.6323254817843458
Energy: 0.688069423673228
Energy: 0.632327372784935
Energy: 0.7558928985109433
Energy: 0.9364512337531207
Energy: 0.6684762980477374
Energy: 0.9364512339921236
Energy: 0.8036893831335717
Energy: 0.6542214998483
Energy: 0.7427826217556727
Energy: 0.6542243233445431
Energy: 0.7973015660911099
Energy: 0.6319513743618645
Energy: 0.6560762757872628
Energy: 0.6319559232390827
Energy: 0.6826915456404405
Energy: 0.8459357278193719
Energy: 0.6193336361506968
Energy: 0.8274463500846975
Energy: 1.0523098222848613
Energy: 1.030430579168844
Energy: 0.6591613069922353
Energy: 1.0304293732382948
Energy: 0.6427212186146128
Energy: 0.5584299579874733
Energy: 0.8367536214029373
Energy: 0.5584454652379356
Energy: 0.7472527277489446
Energy: 0.6034052883712218
Energy: -0.25796095594719276
Energy: 0.5312149629370007
Energy: 0.7255533661557283
Energy: 0.8945010034758905
Energy: 0.752905076835656
Energy: 0.8924199826072382
Energy: 0.819072696346658
Energy: 0.8378647641345796
Energy: 0.6752727497076045
Energy: 0.8364508206358927
Energy: 0.6057494799986641
Energy: 0.32056088617425743
Energy: 0.7214909989011852
Energy: 0.3700630473237587
Energy: 0.5647008423329843
Energy: 0.8927094784624671
Energy: 0.6718943782564487
Energy: 0.8927062071253674
Energy: 0.6407409611884423
Energy: 0.7602834339212954
Energy: 0.7552125498019144
Energy: 0.770395323203286
Energy: 0.7808352655992005
Energy: 0.6800644442520085
Energy: 0.8011310507065456
Energy: 0.449626982524019
Energy: 0.6510631872732304
Energy: 0.8860257897464802
Energy: 0.5243821127466287
Energy: 0.8860257870708128
Energy: 0.6639746824357206
Energy: 0.7106101843004455
Energy: 0.6959569078832132
Energy: 0.6989966849303584
Energy: 0.6846253102786233
Energy: 0.8651625587658804
Energy: 0.7524361843324306
Energy: 0.8651625607821406
Energy: 0.3747858076870459
Energy: 0.6062304132409806
Energy: 0.639907193817483
Energy: 0.6062304132160083

minimum gb energy = -0.25796095594719276 eV
minimum distance =  2.22469961438418 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.5424761369692217
Energy: 0.5929540915022538
Energy: 0.7647885836656779
Energy: 0.14115369986565818
Energy: 0.6853951465937816
Energy: 0.8411439289556397
Energy: 0.5042550180082308
Energy: 0.8411439280177178
Energy: 0.5461722204949121
Energy: 0.9030139919638681
Energy: 0.8121418584236239
Energy: 0.9030139946240384
Energy: 0.5716590010074698
Energy: 0.5894624968334751
Energy: 0.7184136728006901
Energy: 0.58946252330813
Energy: 0.3902377639908674
Energy: 0.29374157961161584
Energy: 0.6835224278087808
Energy: 0.2960164655640669
Energy: 0.6047703721286473
Energy: 0.7661613494788726
Energy: 0.6853730266885006
Energy: 0.7661602359350972
Energy: 0.8340015320741939
Energy: 0.6646856600596237
Energy: 0.677836461810563
Energy: 0.6646855871988071
Energy: 0.8450444179008441
Energy: 0.258910575202294
Energy: 0.11243476656991841
Energy: 0.2414695963987722
Energy: 0.7302793574602947
Energy: 0.4888867351391081
Energy: 0.32516086282045326
Energy: 0.4888867334606644
Energy: -0.07854521720551184
Energy: 1.1018780878449246
Energy: 0.6291877561073602
Energy: 1.1018780904159835
Energy: 0.5956050922188216
Energy: 0.8816521802421733
Energy: 0.7911801123404109
Energy: 0.8816521802344883
Energy: -0.16162114166749497
Energy: 0.26420418492911113
Energy: 0.8834362077817229
Energy: 0.2652053173084187
Energy: 0.20695170057660245
Energy: 0.5392064243263307
Energy: 0.32343778067240436
Energy: 0.5456984242725103
Energy: 0.180267696735712
Energy: 0.6847749313348449
Energy: 0.4704062977633992
Energy: 0.6847749136963229
Energy: 0.40189065176748634
Energy: 0.541418830484614
Energy: 0.4909378129655211
Energy: 0.5259860153359626
Energy: 0.95159914796765
Energy: 0.3445619865304818
Energy: 0.3027418019520972
Energy: 0.34456160223416343
Energy: 0.9591177315553897
Energy: 0.2625116453043688
Energy: 0.6655329243293736
Energy: 0.26251164666245186
Energy: 0.5013962404363224
Energy: 0.9677850972974407
Energy: 0.6382176858363192
Energy: 0.967785103217667
Energy: 0.5684297388931606
Energy: 0.32640426718648524
Energy: 0.7921154544200687
Energy: 0.11812225642122469
Energy: 0.7398608377627267
Energy: 0.5124223345522586
Energy: 0.7895427943977241
Energy: 0.5142841638869192
Energy: 0.756470367136901
Energy: 0.8595756069738872
Energy: -0.031883293522024715
Energy: 0.8595756069846463
Energy: 0.8259654580230614
Energy: 0.48991261789831203
Energy: 0.7253337285025792
Energy: 0.4878050056787422
Energy: 0.5834971290167847
Energy: 0.5904295501593336
Energy: 0.6109859763061858
Energy: 0.5904295488941695
Energy: 0.7531454848277439
Energy: -0.02817991581712311
Energy: 0.5669836105918845
Energy: -0.22795838511101327
Energy: -0.012617376074414682
Energy: 1.1565723485373016
Energy: 0.5202717840253764
Energy: 1.1565723485357648
Energy: 0.6024175666141371
Energy: 0.8929697663756073
Energy: 0.6413435530775086
Energy: 0.8929697664078845
Energy: 0.015008314858313675
Energy: 0.28969425795857623
Energy: 0.708763024979139
Energy: 0.2873896983281694
Energy: 0.22474607657591067
Energy: 0.8525636457138868
Energy: 0.09255168889243096
Energy: 0.8525636457561194
Energy: 0.32655888602900385
Energy: 0.3843501732912163
Energy: 0.19930485432681047
Energy: 0.3842675184044913
Energy: 0.1920663230683904
Energy: 0.6022493041079988
Energy: 0.4021317453763794
Energy: 0.4227523368896463
Energy: 0.9079992513323231
Energy: 0.11885401358604696
Energy: 0.08846358986460388
Energy: 0.130802040739007

minimum gb energy = -0.22795838511101327 eV
minimum distance =  2.20912850417545 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.1151697980565314
Energy: -0.3784769071106523
Energy: -0.668402263203131
Energy: -0.4671204672059693
Energy: 0.6448642524410244
Energy: -0.4394458546035628
Energy: -0.6048495070428404
Energy: -0.47081951236562936
Energy: -0.7009561784119247
Energy: -0.3902223973689465
Energy: 0.932775180919384
Energy: -0.461223464134813
Energy: 0.6614408128231575
Energy: -0.6437479938960193
Energy: -0.05822630350333013
Energy: -0.6711552746834167
Energy: -0.12499643479883364
Energy: -0.1812417956563943
Energy: 0.6485767029435223
Energy: -0.15895541795139786
Energy: -0.15273930341903308
Energy: 0.05445339648492141
Energy: 0.6374819797706185
Energy: 0.05445946630822134
Energy: 0.9369746822905987
Energy: 0.41036958070861224
Energy: -0.09195656060754684
Energy: 0.4148452399595626
Energy: -0.6535498812592553
Energy: -0.6782007771490198
Energy: 0.6552158653654706
Energy: -0.6537411060043335
Energy: 0.659965806267377
Energy: -0.6509205932020815
Energy: -0.45522272025736155
Energy: -0.7125007072715845

minimum gb energy = -0.7125007072715845 eV
minimum distance =  2.25134464977915 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.7508843225633471
Energy: 0.137899622332204
Energy: -0.2251827068219699
Energy: 0.7460102975213277
Energy: 0.09281513702430175
Energy: 0.7265511239714193
Energy: 0.3453414551747233
Energy: 0.7265511239692415
Energy: -0.20613421153129868
Energy: 0.16572311224045938
Energy: 0.013905999888272038
Energy: 0.16573036888240028
Energy: -0.0812777093295724
Energy: 0.1250789637052219
Energy: 0.09380889813491261
Energy: 0.14444515094648225
Energy: 0.5218307164015686
Energy: -0.08264104901216347
Energy: 0.5160451848799757
Energy: -0.08263589062887491
Energy: -0.008132232506364868
Energy: 0.06616960196885932
Energy: 0.5660731519652802
Energy: 0.06596987286069278
Energy: 0.16895647698307997
Energy: 0.20479098967630796
Energy: 0.4935676923802133
Energy: 0.20475579153676454
Energy: -0.28750478853633993
Energy: 0.1716410428549345
Energy: 0.2906548918638313
Energy: 0.01847550498239878
Energy: 0.20930841818459112
Energy: 0.9590713375975725
Energy: 0.2505880629750447
Energy: 0.9590713354098448
Energy: 1.012986561811776
Energy: 0.13495121250384823
Energy: -0.11044709955908989
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Energy: 0.054194979263091116
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Energy: 0.4657017170110742
Energy: 0.6770454279531939
Energy: 0.6900568011554106
Energy: 0.6770454279481122
Energy: 0.48997076716747107
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Energy: 0.38103940608953746
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Energy: -0.6900865955505164
Energy: 0.17715935129268778
Energy: -0.6447692694876733
Energy: -0.08212764176040858
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Energy: 0.12012822501068059
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Energy: 0.21293496552238092
Energy: -0.01367231941791751
Energy: 0.36419449941995335
Energy: 0.4871933371411683
Energy: 0.36615231851859564
Energy: 0.5280822477879403
Energy: 0.25188457209206594
Energy: -0.034465843196281966
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Energy: -0.09495902490139761
Energy: -0.40980276145616973
Energy: 0.7398628232625606
Energy: 0.6275524726992534
Energy: 0.6011511454136629
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Energy: 0.24057771258142369
Energy: 0.1651400069342225
Energy: 0.14826180802691727
Energy: 0.16514000907628176
Energy: 0.27886247032285033
Energy: 0.4957030054468162
Energy: 0.4756526494163553
Energy: 0.49569403488919034
Energy: 0.3805594270195154
Energy: -0.12225964752171231
Energy: 0.13025418039329612
Energy: -0.13034006115034993
Energy: 0.1491195477545113
Energy: -0.15286125503842163
Energy: 0.733675924923757
Energy: -0.15336464654733778
Energy: 0.6165421488602326
Energy: 0.05184397544761272
Energy: -0.12792011612005935
Energy: 0.04702548566098977
Energy: 0.652394210698
Energy: -0.016676225121581758
Energy: -0.04396853373322424
Energy: -0.01668567671485453
Energy: -0.10491067251346191
Energy: -0.12403672371775219
Energy: 1.0806520639892263
Energy: -0.07647044358956022
Energy: -0.016713280857656467
Energy: 0.04072228172307267
Energy: 0.13307637779910406
Energy: 0.0074187209547112365
Energy: 0.08475986952175785
Energy: -0.12964187298810417
Energy: 0.03723322570397495
Energy: -0.007321287019858289
Energy: -0.020939483785994636
Energy: 0.1036372288206771
Energy: -0.03991103975617382
Energy: 0.10363720891618296
Energy: -0.07300632458008231
Energy: 0.02566168375591655
Energy: 0.5734494439507898
Energy: 0.023002545100692193

minimum gb energy = -0.6900865955505164 eV
minimum distance =  2.19121152930548 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.1651896909815413
Energy: -0.17040337664459917
Energy: -0.18396097179656415
Energy: -0.10053740416185278
Energy: 0.17498393850917507
Energy: 0.41171609337817067
Energy: -0.38474924597494303
Energy: 0.4117165527839428
Energy: -0.2632457701650186
Energy: 0.25684945927693487
Energy: -0.4027534607231879
Energy: 0.25682291448022704
Energy: -0.33059822917585924
Energy: -0.26452612819885557
Energy: 0.13001283266839184
Energy: -0.14734317321803467
Energy: -0.16697016124016026
Energy: -0.24716234590880168
Energy: 1.0734984853526346
Energy: -0.23600750079256377
Energy: -0.37964063772444945
Energy: -0.4083667702150374
Energy: 0.6539769982456607
Energy: -0.4289787636806534
Energy: -0.24747728132746885
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Energy: -0.18376836799661747
Energy: -0.20917925582302369
Energy: -0.16851440570323092
Energy: -0.2844612390070572
Energy: 1.136616899517023
Energy: -0.3635024127224569
Energy: 0.06483938672365384
Energy: -0.24598117221347113
Energy: -0.2726161999447403
Energy: -0.2692801453619307
Energy: 0.8012172467404493
Energy: -0.4592827295086412
Energy: -0.22877630585923736
Energy: -0.3183533898653015
Energy: -0.15248593006874256
Energy: 0.025964457167468813
Energy: -0.40045195376573084
Energy: 0.021253789274693836
Energy: 1.0900480843202855
Energy: -0.22248711631447385
Energy: -0.11653919979722004
Energy: -0.2668418234321072
Energy: 1.1737130192792882
Energy: -0.17338732816914823
Energy: -0.19505408561366933
Energy: -0.2559630328780799
Energy: 0.1276588502478738
Energy: -0.28460203993691874
Energy: -0.19939280449613955
Energy: 0.37762546785127976
Energy: -0.16308228007895031
Energy: -0.17484624251785252
Energy: -0.08469455144789308
Energy: -0.19208472638342272
Energy: -0.07027842862816136
Energy: 0.14749677135476272
Energy: 0.1814244065593067
Energy: 0.1507940542013501
Energy: -0.18672246378966542
Energy: -0.1846704214015184
Energy: 1.1354139123836582
Energy: -0.23634673777040144
Energy: -0.28740624216037836
Energy: -0.24216024171858344
Energy: 0.03799956801443152
Energy: -0.219718197663819
Energy: -0.02655479684579914
Energy: -0.23990806782055188
Energy: -0.028103820366233496
Energy: -0.2194658435431354
Energy: -0.287822877266587
Energy: -0.0013529446376704215
Energy: 1.1351930999414659
Energy: -0.11040569829614655
Energy: 0.8534776816958842
Energy: 0.22711254990777072
Energy: -0.04688327040477945
Energy: 0.23034368931499083
Energy: 0.8529311351289612
Energy: -0.4594080432895603
Energy: -0.2556144156100848
Energy: -0.32227902902483585
Energy: -0.10319667922197458
Energy: -0.41116357210027815
Energy: 0.07285618547546141
Energy: -0.3066546058469933
Energy: 1.172869303314094
Energy: -0.39359296744017014
Energy: 0.007376261685815798
Energy: -0.24868993778539136

minimum gb energy = -0.4594080432895603 eV
minimum distance =  2.21425300943003 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: -0.35248450005202536
Energy: 0.4777622844164813
Energy: 0.721721221777523
Energy: -0.3375904481647322
Energy: 0.08629320955521201
Energy: -0.36130194167645174
Energy: 0.6611407447876466
Energy: -0.2711249691683114
Energy: 0.14969262871803393
Energy: -0.1482795310130183
Energy: 0.6359078121086112
Energy: -0.2037124391053
Energy: 0.2011735952545868
Energy: -0.437008108514901
Energy: 0.3501189216692369
Energy: -0.4384439635951905
Energy: 0.033642285595400036
Energy: -0.3967799617172675
Energy: 0.8240102169276599
Energy: -0.22830512902793695
Energy: -0.36596782320554133
Energy: -0.2262273573466513
Energy: -0.4016464915058199
Energy: -0.2262140645706662
Energy: 0.5705874126461583
Energy: -0.47156526426903506
Energy: -0.8991318148374866
Energy: -0.48146325464978795
Energy: -0.38038220144452817
Energy: -0.32424459869034683
Energy: 0.7462049611364444
Energy: -0.3227649026516
Energy: 0.30492158647929063
Energy: -0.49497063690985005
Energy: -0.5234459525778087
Energy: -0.6819165340994293
Energy: 0.345554747983837
Energy: -0.696031011552525
Energy: -0.3573789498668236
Energy: -0.3029056369062947
Energy: -0.23423386805014607
Energy: -0.20625628229725168
Energy: -0.3436360006366794
Energy: -0.29770022218415143
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Energy: -0.4891904863685923
Energy: -0.3458189762228578
Energy: -0.7461766220764581
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Energy: -0.7215142221492031
Energy: -0.676281827076132
Energy: -0.273046916959002
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Energy: 0.8717770280630281
Energy: -0.5925201455721522
Energy: -0.6336209380119274
Energy: -0.6130779267101871
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Energy: -0.2430870364564695
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Energy: -0.22594446412398558
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Energy: 0.657757751563775
Energy: -0.7101757642822436
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Energy: -0.2435122694260732
Energy: 0.6923130777317594
Energy: -0.2596709378260941
Energy: 0.7892557877618587
Energy: -0.22113382608178184
Energy: 0.24955938978198206
Energy: -0.626334697383659
Energy: 0.8737615611665847
Energy: -0.163535885407465
Energy: 0.8430855199562719
Energy: -0.477332486567777
Energy: 0.07323723932578259
Energy: -0.5067230491439059
Energy: 0.21875642051661154
Energy: -0.5624612361088832
Energy: -0.736894515340327
Energy: -0.5621329038771012
Energy: -0.411474360042076
Energy: -0.1619623803688538
Energy: -0.43659210085874456
Energy: -0.157203625003391
Energy: -0.42556997341352576
Energy: -0.24715957324955293
Energy: -0.3581081755297056
Energy: -0.24685308727498537
Energy: -0.5531300689448272
Energy: -0.1828607608040366
Energy: 0.13903431740888217
Energy: -0.1818506319087521
Energy: -0.29042947763386456
Energy: -0.760130483951393
Energy: 0.5795854647351324
Energy: -0.6180746682064968
Energy: 0.4410569374325829
Energy: -0.48855169242286495
Energy: -0.08625603802027017
Energy: -0.33529244177921025
Energy: 0.054346541196067355
Energy: -0.46438282344896153
Energy: 0.2534636817443595
Energy: -0.46420251529647616
Energy: -0.19388676521153786
Energy: -0.3484562792962357
Energy: 0.005848097846909594
Energy: -0.34844233461594226
Energy: -0.5023671088013553
Energy: -0.37609177439999697
Energy: -0.35247326745378715
Energy: -0.3609395547159694
Energy: -0.7184995283306953
Energy: -0.21305048230039922
Energy: 0.9419898838346102
Energy: -0.20950845334427465
Energy: -0.2714915718449573
Energy: -0.6576858426826209
Energy: 0.20205650096578456
Energy: -0.4822783613193935
Energy: 0.8573572472319844
Energy: -0.40652634251649006
Energy: -0.26338881840366574
Energy: -0.4090724991580233
Energy: -0.48649469017037694
Energy: -0.4119025482087301
Energy: -0.1053387401856122
Energy: -0.5162856040861546
Energy: 0.0721538984778622
Energy: -0.7973531319638506
Energy: 0.5004131064338043
Energy: -0.6932236959740679

minimum gb energy = -0.8991318148374866 eV
minimum distance =  2.16672603748675 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: -0.14554502604641675
Energy: -0.18707757089749907
Energy: -0.3911193878226157
Energy: -0.5214760599623712
Energy: 0.18108856459047803
Energy: 0.08952478041964997
Energy: -0.2998680585666283
Energy: 0.08784183816698986
Energy: 0.09247783092885718
Energy: -0.2788398244460779
Energy: -0.4091215234274689
Energy: -0.30892391796525115
Energy: -0.3513643528130094
Energy: -0.20327758766306156
Energy: -0.1720015464014311
Energy: -0.18747677971993862
Energy: -0.12964678134861546
Energy: -0.46644691703936647
Energy: -0.00047893344181348485
Energy: -0.2939755449143757
Energy: -0.5998046485803281
Energy: -0.4934223529067013
Energy: 0.2014647188607495
Energy: -0.3596213949701952
Energy: 0.46864810756734493
Energy: -0.4416646195935897
Energy: -0.15283534387633596
Energy: -0.285337157955823
Energy: 0.10923810188724481
Energy: -0.4195400350694563
Energy: -0.2186795731389488
Energy: -0.31956138237687226
Energy: -0.14186991425603251
Energy: -0.3233272892391171
Energy: -0.25271115845453845
Energy: -0.5822732619695625
Energy: -0.05468206459915836
Energy: -0.17316745555807164
Energy: -0.13988370700337988
Energy: -0.38114601856988684
Energy: -0.1202085594377886
Energy: -0.2909383062670525
Energy: 0.5395728322251667
Energy: -0.2089989974626287
Energy: 0.07655721232145214
Energy: -0.2840637214356145
Energy: 0.025243356106497007
Energy: -0.5990855246622664
Energy: -0.03699848332608755
Energy: -0.2296428432980542
Energy: -0.30656147568629905
Energy: -0.32138351052883457
Energy: -0.14789293727739655
Energy: -0.3967138965412666
Energy: -0.4311934825621243
Energy: -0.5078643127835397
Energy: -0.028537391814760713
Energy: -0.23207038261509286
Energy: -0.25038892632291965
Energy: -0.27681642998689926

minimum gb energy = -0.5998046485803281 eV
minimum distance =  2.20661490799444 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: -0.6352918444801826
Energy: -0.9468867237343451
Energy: -0.5417734298173348
Energy: -0.7418546054610352
Energy: -1.0514512756288505
Energy: -0.7643789780788364
Energy: -0.424644597481049
Energy: -0.7712313454877355
Energy: -0.6751399714140668
Energy: -0.4862067787412974
Energy: -0.35855894226509993
Energy: -0.48620306602071955
Energy: 0.37075817629801766
Energy: -0.7318120286904588
Energy: 0.534333727185604
Energy: -0.7082595896788015
Energy: -0.38558354809870626
Energy: -0.5757971687732143
Energy: 0.0004957264050206393
Energy: -0.5413278896019184
Energy: -0.3421497208011501
Energy: -0.7947210484010343
Energy: -0.026451567969515796
Energy: -0.798696004802254
Energy: 0.02598772350252761
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Energy: -0.12705657402755072
Energy: -0.3240098603087202
Energy: -0.5891707495342975
Energy: -0.32401028065342197
Energy: -0.4986567639064991
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Energy: -0.5506034959341971
Energy: -0.4365358343087641
Energy: 0.673096605308504
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Energy: -0.3759712708541867
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Energy: -0.6920755090741534
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Energy: -0.9410766412230768
Energy: -0.8938408425502561
Energy: -0.8146384420420231
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Energy: -0.6518820158298162
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Energy: -0.6061642600479958
Energy: 0.044973423753041926
Energy: -0.678880100822956
Energy: -0.40236669052767643
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Energy: -0.07657677663853134
Energy: -0.4921452045223143
Energy: -0.7036767074889936
Energy: -0.8219765540931295
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Energy: -0.5842008740375041
Energy: -0.7383327789289592
Energy: -0.6798955188596354
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Energy: -0.8229105482069717
Energy: -0.3401016640027638
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Energy: -0.33362073513423623
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Energy: -0.815613314075337
Energy: -0.47201557344259804
Energy: -0.06904911975000352
Energy: -0.519094410014621
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Energy: -0.7744501057068521
Energy: 0.15396116157686637
Energy: -0.4924644790584411
Energy: 0.050970349747480916
Energy: -0.6033933825170228
Energy: -0.0542865682001626
Energy: -0.4800242552621156
Energy: 0.7693659329087077
Energy: -0.4875822594443691
Energy: -0.7816486532746353
Energy: -0.8047600317262928
Energy: 0.5172827662377123
Energy: -0.774584685406991
Energy: 0.0062021476185821905
Energy: -0.8509965366651792
Energy: -0.7812179110921691
Energy: -0.8349804993723252
Energy: -0.21665487537091274
Energy: -0.6103241510013155
Energy: -0.3110623998513282
Energy: -0.6287403157369897
Energy: 0.10825019858360084
Energy: -0.41804881183080184
Energy: -0.44250045256708
Energy: -0.4183825035173901

minimum gb energy = -1.0514512756288505 eV
minimum distance =  2.20948669602277 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.9629663760955127
Energy: 0.01808522092897508
Energy: -0.3542510799734747
Energy: -0.4335818585275286
Energy: 0.22262189513396088
Energy: -0.09318170874396627
Energy: -0.13017794608182362
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Energy: -0.03307743444642765
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Energy: 0.19740594545627838
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Energy: -0.17950006746176095
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Energy: 0.6731191178271428
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Energy: -0.17833308822804203
Energy: -0.6146477734057245
Energy: -0.0030636332488337293
Energy: -0.6142328228783897
Energy: -0.3537061525350068
Energy: -0.19864503667825248
Energy: 0.5458315099635782
Energy: -0.2809991293535741
Energy: -0.5524186376772209
Energy: -0.24876622927952247
Energy: -0.01249717818861877
Energy: -0.5711869853416478
Energy: -0.07686682969904798
Energy: -0.10297217885039729
Energy: 0.8646268841772458
Energy: -0.10296914303625927
Energy: -0.3374771635102373
Energy: -0.13304099581959733
Energy: 0.3850107495849564
Energy: -0.29606117414878713
Energy: -0.3255665764009438
Energy: -0.2653034009229904
Energy: 0.9634572148904943
Energy: 0.018085220106452547
Energy: -0.02898786595138658
Energy: -0.08093799923817341
Energy: 0.27178571685736813
Energy: -0.07980071128251377
Energy: -0.016863424943614994
Energy: -0.2704446393878517
Energy: 0.8286485769720057
Energy: -0.7584267142188046
Energy: -0.08159950030973447
Energy: -0.36831920075502683
Energy: 0.15392943613643692
Energy: -0.250644775830991
Energy: 0.6731189919063871
Energy: 0.018639048262399437
Energy: 0.3147816793394236
Energy: -0.023455550675829457
Energy: -0.03809401002601525
Energy: -0.7097657663482394
Energy: -0.13323982769324177
Energy: -0.6264549532303254
Energy: 0.5458246876816554
Energy: -0.19727704326285259
Energy: -0.03335021798044796
Energy: -0.09078429772210121
Energy: 0.9279474744428484
Energy: -0.3845371688285541
Energy: -0.33739348803984837
Energy: -0.1782698527793387
Energy: 0.825638238464416
Energy: -0.10293747042824176
Energy: -0.07030862113654732
Energy: -0.10316715660993736
Energy: 0.3361635686839039
Energy: -0.2810044747653801
Energy: -0.2693442555907734
Energy: -0.18848082272919828

minimum gb energy = -0.7584267142188046 eV
minimum distance =  2.20785881356234 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7471878028683815
Energy: -0.19829548593888954
Energy: -0.5909102368650521
Energy: -0.7311981485114024
Energy: 0.2278037232976858
Energy: -1.125534755817544
Energy: -0.1600958597827787
Energy: -1.1410462031200994
Energy: 0.7492968236061501
Energy: -0.44086217381259235
Energy: 0.04533552045819404
Energy: -0.48497065060284966
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Energy: -0.8903069012492124
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Energy: 1.0039113007446963
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Energy: 0.36805500700335464
Energy: -1.127324666068041
Energy: -0.4736016772249773
Energy: -0.7900644311719983
Energy: 0.7829903165670024
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Energy: -0.550602522331664
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Energy: -0.15837383803298047
Energy: -0.4535304865336255
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Energy: -0.4535304879314898
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Energy: -0.31215813849973517
Energy: -0.2442832709825436
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Energy: -0.24654256271445055
Energy: -0.9023903559113041
Energy: 0.5512258745792222
Energy: -0.7616292208696115
Energy: 0.05298347775307749
Energy: -0.8014934307863346
Energy: 1.2591243698600763
Energy: -0.7231275156429847
Energy: 0.23280626147388658
Energy: -0.5286744179012494
Energy: 0.21831716379144298
Energy: -0.5314771303015001
Energy: 0.07746688539833972
Energy: -0.48908346332449515
Energy: 0.12258948629843504
Energy: -0.49528686935117283
Energy: 0.22559666311183627
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Energy: -0.16049986556809995
Energy: -0.666459740997664
Energy: 0.5161868278924024
Energy: -0.6535232845621709
Energy: -0.49741996898260404
Energy: -0.5388922064232803
Energy: 0.4046830551871458
Energy: -1.0509825199568756
Energy: -0.34921670972823904
Energy: -1.047658388113898
Energy: 1.1905164126165237
Energy: -0.48620949767725125
Energy: -0.19416076801084017
Energy: -0.331493059812991
Energy: 0.6583837501347761
Energy: -0.7932659976027405
Energy: -0.503365421221702
Energy: -0.7005817635818002
Energy: 0.27685477208046205
Energy: -0.5619219308062856
Energy: -0.9578084067076025
Energy: -0.5674691894876813
Energy: 0.7993768640565205
Energy: -0.7198624368818999
Energy: -0.32683206510839424
Energy: -0.7138444472122959

minimum gb energy = -1.1410462031200994 eV
minimum distance =  2.23364727439001 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.6899809736640182
Energy: -0.10700077804664195
Energy: -0.5991303184456872
Energy: -0.6026117091038437
Energy: 0.5145157904120349
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Energy: -0.22995458211948352
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Energy: -0.7633828006924571
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Energy: -1.23346463263416
Energy: 0.05195273689761833
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Energy: 0.2929273836938924
Energy: -1.0672808668691827
Energy: 0.03266154620605905
Energy: -0.926598692971952
Energy: 0.7404983257293887
Energy: -0.4455922310537388
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Energy: 0.08755691237297389
Energy: -0.5505742818656932
Energy: 0.11919829191303521
Energy: -0.7422652913661579
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Energy: -0.48607551798403736
Energy: 0.251353356858403
Energy: -0.4829069664893842
Energy: -0.1491565402708008
Energy: -0.5327643159698657
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Energy: -0.4085403028423455
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Energy: -0.4103169540940262
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Energy: -0.35123914908342946
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Energy: -0.3512452759807523
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Energy: 1.4903755808234393
Energy: -0.8110327880481712
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Energy: -0.6999473958077572
Energy: 0.3100151945412388
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Energy: -0.8265414116914801
Energy: 0.19369275639943326
Energy: -0.5799540733308938
Energy: 0.12595011146109844
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Energy: -0.22553984357020004
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Energy: -1.0449715988705996
Energy: 0.3712719507439158
Energy: -0.476544628947448
Energy: 0.32889838796792586
Energy: -1.1087781393453033
Energy: 0.22896029820277633
Energy: -0.5916335976110664
Energy: -0.2654846692669143
Energy: -0.5916231349101554
Energy: 0.44302956829775497
Energy: -0.24725196203527633
Energy: -0.0665512344827531
Energy: -0.6452321436471332
Energy: 1.4353665186208917
Energy: -0.27481142535652064
Energy: -0.09075785099039398
Energy: -0.42249089039857113
Energy: 1.3868970262482192
Energy: -0.6652142557963514
Energy: -0.5631654040127777
Energy: -0.7440541735661788
Energy: 0.3935191017643658
Energy: -0.2387252736201656
Energy: -0.299643024946667
Energy: -0.23384727927772556
Energy: 0.9735079506945383
Energy: -0.5007056814013037
Energy: -0.34803418144866927
Energy: -0.5007095218742271
Energy: 0.8218391915141229
Energy: -0.38526790782050624
Energy: -0.4288272281983408
Energy: -0.3852679078175088
Energy: 0.44052861609283434
Energy: -0.9659316431445913
Energy: -1.4853722587674234
Energy: -0.9659155239177416
Energy: 0.7600753230153725
Energy: -0.5914455918352038
Energy: -0.5390550272761273
Energy: -0.5295528967938966

minimum gb energy = -1.4919212547347525 eV
minimum distance =  2.20728800973789 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.7907006034038958
Energy: -0.48356159681050637
Energy: -0.9984726442681462
Energy: -0.7056089347726643
Energy: 0.41155193229806664
Energy: -0.7606072857617185
Energy: -0.24588204754589188
Energy: -0.7674699113637604
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Energy: -0.3596369891300672
Energy: -0.9373693563916755
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Energy: -0.9253459304123915
Energy: -0.4835998306192338
Energy: -1.1691603209852388
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Energy: -0.16283810462522813
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Energy: -0.4568358877612854
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Energy: -0.9586140847489014
Energy: -0.3772874079797167
Energy: -0.9586107454796781
Energy: 0.38643449451903367
Energy: -0.6433911844078258
Energy: -0.5891447380797779
Energy: -0.599886930570768
Energy: 0.8654242156008616
Energy: -0.6078494923087134
Energy: -0.2479836152451747
Energy: -0.6079021147707726
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Energy: -0.6798761356432426
Energy: -0.8428575240859277
Energy: -0.6798761339236923
Energy: 1.7803727715751796
Energy: -0.7459886999695869
Energy: -0.30333974805641745
Energy: -0.7459886996053742

minimum gb energy = -2.022601433963658 eV
minimum distance =  2.2456921753892 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.753898095631513
Energy: -0.7893014723981606
Energy: -0.3434868561191257
Energy: -0.4731554638635827
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Energy: 0.5410637444024731
Energy: -0.4718303167521333
Energy: -0.26434141074631734
Energy: -0.4718291388996158
Energy: 0.8007782085991775
Energy: -0.7573295745656788
Energy: -0.31630619168143687
Energy: -0.9093143894565827
Energy: 1.4770370809183222
Energy: -0.5357042836381168
Energy: -0.32802254318177565
Energy: -0.5210872031257734
Energy: 0.9447941569849447
Energy: -0.4504513376702389
Energy: -0.3599375887311619
Energy: -0.45045668965458374
Energy: 0.9206286344313896
Energy: -0.8732936851239682
Energy: -1.0069214750286968
Energy: -0.8732936851179118
Energy: 1.468084140185867
Energy: -0.3780331841059225
Energy: -0.3620581743766166
Energy: -0.37862309783437875

minimum gb energy = -1.0069214750286968 eV
minimum distance =  2.2391589428469 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01665747883880658
Energy: 0.017648050559904992
Energy: -2.682212025563428
Energy: -2.122064629199209
Energy: -4.01251072479173
Energy: -4.182084428958498
Energy: -2.8382263123500353
Energy: -4.45759332230668
Energy: -1.4463250818679527
Energy: -4.323250566625554
Energy: -2.695445998409674
Energy: -4.303996338732642
Energy: 0.01612917159060173
Energy: -2.186444467111073
Energy: -1.7498186166769103
Energy: -2.199130282096653
Energy: -1.8904566714015423
Energy: -4.2868576608508695
Energy: -2.623142682317787
Energy: -4.381779585283089
Energy: -0.04328682009887007
Energy: -4.369601005010381
Energy: -3.023816856631754
Energy: -4.300693921557134

minimum gb energy = -4.45759332230668 eV
minimum distance =  2.35460817852598 Angstroms
sigma value = 1