Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
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=3.6583648324012783
cohesive_energy=4.002359338938538
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: 0.015087066198055726
Energy: 1.0653686308634394
Energy: 0.015087066198055726
Energy: 1.065368630862861
Energy: 0.015087066198055726
Energy: 1.065368630863133
Energy: 1.065368630863133
Energy: 0.7304190449801106
Energy: 1.065368630863133
Energy: 0.962288676823454
Energy: 1.065368630862861
Energy: 0.9622886768054891
Energy: 0.015087066198055726
Energy: 1.065368630863133
Energy: 0.015087066198055726
Energy: 1.065368630862861
Energy: 0.015087066198055726
Energy: 1.065368630862861
Energy: 1.065368630862861
Energy: 0.9622886767246818
Energy: 1.065368630862861
Energy: 0.9622886768225353
Energy: 1.065368630862861
Energy: 0.9622886768306331
Energy: 0.015087066198055726
Energy: 1.065368630863133
Energy: 0.01508706619778353
Energy: 1.065368630862861
Energy: 0.015087066198055726
Energy: 1.065368630862861
Energy: 1.065368630863133
Energy: 0.9622886767145086
Energy: 1.065368630863133
Energy: 0.9622886768156624
Energy: 1.065368630862861
Energy: 0.9622886768386968

minimum gb energy = 0.01508706619778353 eV
minimum distance =  2.49480723387062 Angstroms
sigma value = 1


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

Energy: 0.6959274642200155
Energy: -2.6107557182942127
Energy: 0.6959274642207526
Energy: -2.6294931684457694
Energy: 0.6959274642178042
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Energy: -2.5880994345553407
Energy: -3.780543314057649
Energy: 0.45585341571333077
Energy: -2.5645642741692627
Energy: 0.4558491564164936
Energy: -2.5146309726053064
Energy: -2.9267768489316177
Energy: -2.7478373867145383
Energy: -2.494745512044118
Energy: -4.8624931395355695
Energy: -2.2764856367482627
Energy: -4.184982762199326
Energy: -2.341829371558732
Energy: -3.1915510462284384
Energy: -2.397069157137882
Energy: -3.4515820973258005
Energy: -2.747477242524821
Energy: -2.9377149347872673
Energy: -2.5948395460972193
Energy: -2.6888934569878633
Energy: -2.2838055763654186
Energy: -2.6374540059864677
Energy: -2.4469373989552814
Energy: -2.5004372100607304
Energy: -2.3467891665339957
Energy: -2.6536549029457412
Energy: -2.698538350774383
Energy: -2.6347494335165003
Energy: -2.4307834444186964
Energy: -2.7032292358783687
Energy: -2.5185210490461185
Energy: 0.10708173263727253
Energy: -2.719485063111708
Energy: 0.10708173263579833
Energy: -2.5292700810937703
Energy: 0.10708173264095805
Energy: -2.536163979626748

minimum gb energy = -5.078572146904965 eV
minimum distance =  2.3172845409271 Angstroms
sigma value = 33


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

Energy: -2.3610245318235834
Energy: -1.9483133659150402
Energy: -2.469655873732979
Energy: -1.791199958448697
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Energy: 0.5819661098106462
Energy: 0.49191912422158
Energy: -2.7836407352451547
Energy: -1.9345494860335795
Energy: -3.843087798765642
Energy: -2.534996654909538
Energy: -3.771781779982245
Energy: -1.9971717176117374
Energy: 0.42759549458361246
Energy: -2.015361236019852
Energy: 0.4261825350198064
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Energy: -2.1037379048073657
Energy: 0.5846964444283415
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Energy: -1.9611118461253978
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Energy: -1.8942938821687725
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Energy: -1.9602333808377477
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Energy: 0.3579491002894637
Energy: 0.4758576578984827
Energy: 0.35794909812576914
Energy: 0.4758576579026754
Energy: 0.35794901612483765

minimum gb energy = -4.835125717313189 eV
minimum distance =  2.33816733064767 Angstroms
sigma value = 51


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

Energy: 0.6409344829325432
Energy: -1.7662382931520106
Energy: 0.640934482807318
Energy: -1.6040616342389056
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Energy: -1.7158247538868399
Energy: -1.7571059448824133
Energy: -1.6707251303950628
Energy: -1.7633799001457657

minimum gb energy = -2.039341482621663 eV
minimum distance =  2.30725567234086 Angstroms
sigma value = 19


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

Energy: 0.4513136470216354
Energy: 0.15403922363349087
Energy: 0.45131364702105914
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Energy: 0.14897258119126625
Energy: 0.46274814830655064
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Energy: 0.1407833535270714
Energy: -1.3917276916903571
Energy: 0.14076915838759493
Energy: -1.279011093341459
Energy: 0.14078681061560339
Energy: -1.3172461653543595
Energy: 0.7976205806414399
Energy: 0.6821305249851658
Energy: 0.7976201884139392
Energy: 0.6821303933992455
Energy: 0.7976187038307873
Energy: 0.6821300103456894
Energy: 0.4513136470216354
Energy: 0.15403922360122255
Energy: 0.4513136470216354
Energy: 0.1540392236144756
Energy: 0.45131364702105914
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Energy: -1.4025568191050468
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Energy: 0.3155744170521025
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Energy: 0.15403922361274697
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Energy: -1.4352414315436668
Energy: 0.7969207850455664
Energy: -1.1987739851082932
Energy: 0.7969132325574863
Energy: -1.4182689443611882
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Energy: -1.3581768667077385
Energy: 0.14729155568856794
Energy: -1.2851285412889502
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Energy: -1.372603380940001
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Energy: 0.46273971964924304
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Energy: 0.1503621211899536
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Energy: 0.32051693565369016
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Energy: 0.3205169356565713
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Energy: 0.31557441706016953
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Energy: 0.3155744170912854
Energy: 0.44461687892447327
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Energy: 0.4446168789233208
Energy: 0.4627481483048221
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Energy: 0.1489725812085528
Energy: 0.46274814830251715
Energy: 0.14897258120970525
Energy: 0.14080690878856073
Energy: -1.3079564815992006
Energy: 0.1407516967892948
Energy: -1.302302234729833
Energy: 0.14076024586456895
Energy: -1.3678020480023643
Energy: 0.7976205926600778
Energy: 0.6821304994503732
Energy: 0.7976201676049356
Energy: 0.6821303745801912
Energy: 0.7976186359919976
Energy: 0.6821299843656884
Energy: 0.45131364702105914
Energy: 0.1540392236254238
Energy: 0.45131364702105914
Energy: 0.15403922361101832
Energy: 0.4513136470216354
Energy: 0.1540392236052561
Energy: 0.7969204724404738
Energy: -1.3868570559705737
Energy: 0.7969197769177611
Energy: -1.338386241826127
Energy: 0.7969124828135271
Energy: -1.3312219356383541
Energy: 0.14729192239513156
Energy: -1.3831930837544613
Energy: 0.14729164560464747
Energy: -1.3192214916557021
Energy: 0.1472916210489834
Energy: -1.3503592277697045

minimum gb energy = -1.5087693012484855 eV
minimum distance =  2.31182882127929 Angstroms
sigma value = 27


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

Energy: 0.34186148021747076
Energy: 0.09338808607124915
Energy: 0.34186148021747076
Energy: 0.09338808607407205
Energy: 0.34186148021747076
Energy: 0.09338808607266058
Energy: -1.1443683686980068
Energy: -0.08348257338406372
Energy: -1.8638906665766082
Energy: -0.08385313385480243
Energy: -1.665332989563816
Energy: -0.08764359748342322
Energy: -0.007602909346887064
Energy: 0.46737710604072763
Energy: -0.007602909346887064
Energy: 0.46737710604072763
Energy: -0.007602909349709954
Energy: 0.46737710604072763
Energy: -0.6330225381237768
Energy: 0.096153273043892
Energy: -0.7162626072857596
Energy: 0.09615327304530344
Energy: -0.2713380505040553
Energy: 0.09615327304106912
Energy: 0.05456563185438413
Energy: 0.0931768103811359
Energy: 0.05852501732662925
Energy: 0.0931768103811359
Energy: 0.058763278677462984
Energy: 0.09317681038395878
Energy: -0.6116929677096747
Energy: -2.023255762316036
Energy: -0.7044606240801387
Energy: -1.501364190888872
Energy: -0.6523744218221775
Energy: -1.9108560300963515
Energy: -0.4350034391167239
Energy: -0.09017328820435695
Energy: -0.6695634308762634
Energy: -0.09043631116834894
Energy: -0.5835626426939936
Energy: -0.08991357927894313
Energy: 0.29561256361623534
Energy: 0.09101932768716643
Energy: 0.2956125636289383
Energy: 0.09101932768857789
Energy: 0.2956125636063551
Energy: 0.09101932768716643
Energy: 0.12111091532369678
Energy: -0.007113922440924
Energy: 0.12133927358059259
Energy: -0.007113922449392669
Energy: 0.12093443609840761
Energy: -0.007113922422607296
Energy: 0.12932503959214786
Energy: -1.2790119097658512
Energy: 0.12932503959214786
Energy: -1.5992246150255265
Energy: 0.12932503959073643
Energy: -1.1762345495447961
Energy: 0.21296666911583986
Energy: 0.09594507664913865
Energy: 0.22752170517894363
Energy: 0.09594507664913865
Energy: 0.09414354444485383
Energy: 0.09594507664913865
Energy: -0.4792338113166752
Energy: -0.6912815664801234
Energy: -0.7523499100832297
Energy: -0.2529959125192483
Energy: -0.7942729458897616
Energy: -0.7154537716153064

minimum gb energy = -2.023255762316036 eV
minimum distance =  2.33288468197489 Angstroms
sigma value = 9


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

Energy: 0.28499577179143754
Energy: -3.8858400286058554
Energy: 0.2850035087735095
Energy: -3.6898810415692127
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Energy: -3.737976243263104
Energy: -6.139451345914931
Energy: -2.9223732418059707
Energy: -4.097679706418411
Energy: -3.4919281361517123
Energy: -4.173638111999196
Energy: -3.3322757109870715
Energy: -0.1352914197051069
Energy: -3.0172643996761312
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Energy: -3.102284058592751
Energy: -0.13529128861969825
Energy: -3.4658459656461273
Energy: -4.248100978298892
Energy: 0.07925977244524465
Energy: -5.038562332635742
Energy: 0.07925977244600176
Energy: -5.811054742792206
Energy: 0.07925977244679493
Energy: -4.845212899402044
Energy: -5.382273943738321
Energy: -5.32173688838038
Energy: -5.8419909362948514
Energy: -4.485992285168845
Energy: -5.387426632445152
Energy: -5.739747029113646
Energy: -2.5160738279224395
Energy: -3.8437545645170905
Energy: -5.478229290972317
Energy: -4.838979432132898
Energy: -2.615906939879449
Energy: -6.021028137525698
Energy: -5.523045381117156
Energy: -5.131093500989892
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Energy: -3.705942528875123
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Energy: -6.0385136443921885
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Energy: -3.1569562125509347
Energy: -2.577765048870509
Energy: -3.4514847990875053
Energy: -2.728100151236101
Energy: -5.2111246067869645
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Energy: -2.7015971686457183
Energy: -3.0971354330354464
Energy: -3.006049096272081
Energy: -2.706484484113091
Energy: -3.310415067928727
Energy: -2.4758830982000624
Energy: -5.485760230215311
Energy: 0.07754600772796222
Energy: -5.409026012522824
Energy: 0.07754600771566819
Energy: -4.106888482276327
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Energy: -5.0130904719907665
Energy: -2.6464748909341678
Energy: -4.987427900565732
Energy: -2.5640418097183755
Energy: -5.972527161613391
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Energy: -2.7209823797584183
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Energy: -3.968781251362258
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Energy: -0.035766928454431204
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Energy: -3.247778785634335
Energy: -0.03576692845681069
Energy: -3.250374752230035
Energy: -5.905644153181515
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Energy: -3.10065998123573
Energy: -2.9009991921750595
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Energy: -0.045391600034659724
Energy: -3.1986682960120327
Energy: -0.04539160003981529
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Energy: -0.04539160004060846
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Energy: -4.086075283787193
Energy: -6.187436972123851
Energy: -3.6439756326058617
Energy: -2.864496311528045
Energy: -4.214018526780517
Energy: -4.703416315145103
Energy: -2.897257436310323
Energy: -6.469221637061607
Energy: -2.5379199704032045
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Energy: -2.4212548877173217
Energy: -5.244488124873691
Energy: -2.892614183901658
Energy: -6.048077167991533
Energy: -3.0710922807203085
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Energy: -2.9489046755750135
Energy: -4.666908476121049
Energy: -5.751533496923083
Energy: -4.185152422202411
Energy: -5.56728598000218
Energy: -5.170781435117582
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Energy: -0.03994703010924313
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Energy: -0.03994703011479527
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Energy: -4.066889969129546
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Energy: -3.139493201510889
Energy: -4.263647518579341
Energy: -2.9551578315068197
Energy: -5.590826890482435
Energy: -6.4046771815121275
Energy: -3.9286656476872226
Energy: -4.353035373542262
Energy: -3.843345616639639
Energy: -2.7725632116505197
Energy: -4.983858523146779
Energy: 0.06139142900520117
Energy: -5.038770646651413
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Energy: -4.2739824952589025
Energy: 0.0613914290067875
Energy: -0.13522733903124715
Energy: -2.4604750276306326
Energy: -0.13522725169471753
Energy: -2.873833644333704
Energy: -0.13522710892287407
Energy: -2.8168619583675656
Energy: -6.181214204534946
Energy: -2.684178484058953
Energy: -5.420323204952066
Energy: -2.628365568468421
Energy: -3.6232405440444277
Energy: -2.8255535539606105
Energy: 0.2849958610552462
Energy: -5.31704198926673
Energy: 0.2850029141971038
Energy: -3.95096657988674
Energy: 0.2850223361952791
Energy: -5.181468186077425
Energy: -6.074815271273721
Energy: 0.2092665687873586
Energy: -3.69496510372467
Energy: 0.2092665687873586
Energy: -3.715886019680712
Energy: 0.21342809920160816
Energy: -0.13529139832653875
Energy: -3.1343841025829184
Energy: -0.1352914606466559
Energy: -2.9795743822771876
Energy: -0.13529128075977256
Energy: -3.462651620654111
Energy: -4.956968771649195
Energy: 0.07925977244838124
Energy: -5.210184477584411
Energy: 0.07925977244798466
Energy: -5.032891199861891
Energy: 0.07925977244679493
Energy: -5.145883178156472
Energy: -4.982162874406943
Energy: -3.349467387805607
Energy: -5.788962190924182
Energy: -4.014551270840984
Energy: -6.064785392672344

minimum gb energy = -6.469221637061607 eV
minimum distance =  2.25714736263634 Angstroms
sigma value = 57


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

Energy: 0.5350297476312681
Energy: -2.48201191974692
Energy: 0.3731828518378068
Energy: -2.5267396229124404
Energy: 0.5350297476312681
Energy: -2.3455780768132146
Energy: 0.5392444064418062
Energy: -2.467759186784621
Energy: 0.5392444064409034
Energy: -2.4655888824165357
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Energy: -2.4665026472680096
Energy: 0.22414750830962665
Energy: -2.801403088782211
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Energy: -2.0650717902057707
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Energy: -2.766995832292659
Energy: -2.39803860291469
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Energy: -2.622293051377367
Energy: 0.03919691127638291
Energy: -2.6041467398612173
Energy: 0.03919691127548015
Energy: 0.4088730273540951
Energy: 0.5376297645083776
Energy: 0.4088730273531923
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Energy: 0.0355827572360542
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Energy: 0.03558275723876249
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Energy: 0.0355827572360542
Energy: 0.22913727114979635
Energy: 0.5398067154876649
Energy: 0.40625501159506155
Energy: 0.5398067154858595
Energy: 0.40625501159506155
Energy: 0.5398067154867622
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Energy: -2.5043729199306504
Energy: 0.03833564754404049
Energy: -2.4772141660039497
Energy: 0.03833564754223496
Energy: -2.430278410470537
Energy: 0.03833564754674877
Energy: 0.25411233435130276
Energy: 0.47788618042264924
Energy: 0.25411233435130276
Energy: 0.4778861802187068
Energy: 0.2541123343558166
Energy: 0.47788617964573954
Energy: 0.4086477642080315
Energy: -0.6383498752106084
Energy: 0.4086477642044205
Energy: -0.850164300358295
Energy: 0.4086477642080315
Energy: -0.8483315098731683
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Energy: -2.433588090006516
Energy: 0.3731828518378068
Energy: -2.4861892454671244
Energy: 0.5350297476285598
Energy: -2.3152149935748825
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Energy: -2.483065137605533
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Energy: -2.4662256533630345
Energy: 0.5392444064445144
Energy: -2.4664096646589875
Energy: 0.224147508137281
Energy: -3.010554184479343
Energy: 0.22414750753542523
Energy: -2.770779598599324
Energy: 0.22414750775020076
Energy: -2.7794978199537135
Energy: -2.3216133667783967
Energy: 0.03919691127548015
Energy: -2.4948563306814355
Energy: 0.03919691127457738
Energy: -2.4545953999259242
Energy: 0.0391969112790912
Energy: 0.4088730273549978
Energy: 0.5376297645092805
Energy: 0.4088730273540951
Energy: 0.5376297645083776
Energy: 0.4088730273549978
Energy: 0.5376297645074749
Energy: 0.035733620645253324
Energy: 0.22430895518790744
Energy: 0.03573362064886438
Energy: 0.22430895519242125
Energy: 0.0357336206434478
Energy: 0.22430895527182337
Energy: 0.035582757237859725
Energy: 0.22913726790941027
Energy: 0.03558275723876249
Energy: 0.22913727184820676
Energy: 0.03558275723876249
Energy: 0.22913726757641376
Energy: 0.5398067154867622
Energy: 0.40625501159325605
Energy: 0.5398067154849566
Energy: 0.40625501159325605
Energy: 0.5398067154876649
Energy: 0.4062550115914505

minimum gb energy = -3.010554184479343 eV
minimum distance =  2.47609409029626 Angstroms
sigma value = 11


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

Energy: -3.4690864467710307
Energy: 0.16411080393339655
Energy: -3.4225849486359703
Energy: 0.1641108184833217
Energy: -3.4914724997979816
Energy: 0.16411083637649834
Energy: -3.657306167433747
Energy: -3.04441425990444
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minimum gb energy = -4.550776773731344 eV
minimum distance =  2.30523754163386 Angstroms
sigma value = 41


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

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minimum gb energy = -3.933818520676988 eV
minimum distance =  2.34174608100425 Angstroms
sigma value = 33


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

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Energy: -0.02169605589855741
Energy: -2.6332780078816644
Energy: -0.021696077438446294

minimum gb energy = -6.828788042957762 eV
minimum distance =  2.39293042499596 Angstroms
sigma value = 67


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

Energy: -0.02254050698289541
Energy: -0.5483890582376427
Energy: -0.022540506982645384
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Energy: -0.3190276635436731
Energy: 0.3352883322358829
Energy: -0.31902766354439543
Energy: 0.3352883322354106

minimum gb energy = -0.548389058239365 eV
minimum distance =  2.41783857405458 Angstroms
sigma value = 3


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

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Energy: -1.1425494496514483

minimum gb energy = -6.449338684513085 eV
minimum distance =  2.39250705439467 Angstroms
sigma value = 81


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

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Energy: -0.5975602272759208
Energy: -2.8114699581538036
Energy: -1.757549031486082
Energy: -4.251320633066745
Energy: -1.7575490276057706
Energy: -2.8114662374971764
Energy: -1.7575490223499306
Energy: -2.466404566503054
Energy: -0.24816744790075923
Energy: -3.472307130594228
Energy: -0.24816718362573642
Energy: -2.4664045951889912
Energy: -0.24816746667054795
Energy: -1.72409555597511
Energy: -1.8964375289966888
Energy: -0.9740577342200764
Energy: -1.8964375458915947
Energy: -0.9356668746958102
Energy: -1.8964375643227525
Energy: -3.123200558916769
Energy: -3.3493650150130314
Energy: -3.08829643351732
Energy: -3.3492640373360234
Energy: -3.1259306101700663
Energy: -3.3493702026510292
Energy: -3.478628361476547
Energy: -0.7571266614572673
Energy: -3.478627561133684
Energy: -2.6094547046525567
Energy: -3.4786259487728617
Energy: -0.7571266614563541

minimum gb energy = -4.3855263297687355 eV
minimum distance =  2.395882681193 Angstroms
sigma value = 43


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

Energy: -0.22759475576620994
Energy: -0.5606449933525356
Energy: -0.2275947557645274
Energy: -0.5606449933530965
Energy: -0.22759475576508825
Energy: -0.5606449933536573
Energy: -0.4606161028614497
Energy: -0.5847061955174789
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Energy: -0.5847061955197225
Energy: -0.46061610286088883
Energy: -0.5847061955180398
Energy: -0.9332750052136782
Energy: -0.2115669127219064
Energy: -1.0593602092206813
Energy: -0.21156810846244647
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Energy: -0.21338940154297936
Energy: -0.56605118469245
Energy: -0.7485521702345594
Energy: -0.5660508502645809
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Energy: -0.4297245007075859
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Energy: -0.4297245007064642
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Energy: -0.2252398756208395
Energy: -0.5668157816168689
Energy: -0.22523987560233144
Energy: -0.5668157816269388
Energy: -0.22523987560008804
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Energy: -0.7177772005515618
Energy: -0.4393485352175269
Energy: -0.7292626309184673
Energy: -0.4393485352993857
Energy: -0.7068283679260664
Energy: -2.762243611208274
Energy: -0.7559097131455402
Energy: -1.152520307592815
Energy: -0.7559097131472227
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Energy: -0.7559097131461009
Energy: -0.8856747149064025
Energy: -0.35720519223117575
Energy: -0.8856680430010023
Energy: -0.3650421279586573
Energy: -0.8856531100884578
Energy: -0.35366202702784943
Energy: -0.5856657199828174
Energy: -0.7570081002142477
Energy: -0.5856657199805739
Energy: -0.7565488937949626
Energy: -0.5856657199828174
Energy: -0.7480592898271433
Energy: -0.43206474194056554
Energy: -1.2803495027269203
Energy: -0.43206474194056554
Energy: -1.0917266516225899
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Energy: -2.9596726717992548
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Energy: -0.3958978318295333
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Energy: -0.5819966341156668
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Energy: -0.6910170672427466
Energy: -0.4963983324634631
Energy: -0.691017072232105
Energy: -0.4963983317559746
Energy: -0.6910170937014921
Energy: -0.3322113381742179
Energy: -1.0360258591857192
Energy: -0.35932847003017865
Energy: -1.037173604364942
Energy: -0.3614751955850867
Energy: -1.0223018522134708
Energy: -0.7586557501687369
Energy: -0.35963814328665566
Energy: -0.7586557501681761
Energy: -0.3596381432872165
Energy: -0.7586557501698586
Energy: -0.35963814328331606
Energy: -0.8497820561512979
Energy: -0.45432303024900367
Energy: -1.2771184255131274
Energy: -0.45432303024900367
Energy: -2.3598068718369727
Energy: -0.4543230302484427
Energy: -0.3908372046705364
Energy: -0.557275489959733
Energy: -0.39083720466661054
Energy: -0.557275489959733
Energy: -0.3908372046694147
Energy: -0.557275489958076
Energy: -0.3514463442383227
Energy: -0.7284815132002235
Energy: -0.3607624978583482
Energy: -0.7284815131716454
Energy: -0.35585598908480476
Energy: -0.7284815130584045
Energy: -0.8446364044803892
Energy: -0.5545875815893438
Energy: -0.8419222755126515
Energy: -0.5545875815613267
Energy: -0.8422666653792051
Energy: -0.5545875814985368
Energy: -2.7729585552368077
Energy: -0.7579460486918957
Energy: -0.7950609858595754
Energy: -0.7579460486924565
Energy: -0.6854160022126349
Energy: -0.7579460486924565
Energy: -0.40514870928196955
Energy: -0.7386803989064875
Energy: -0.40514870928365204
Energy: -0.7415826190901237
Energy: -0.40514870928365204
Energy: -0.768633358643478
Energy: -0.39347597460369677
Energy: -0.49894031957024804
Energy: -0.39347597460369677
Energy: -0.49894031957810003
Energy: -0.3934759746070619
Energy: -0.49894031949680206
Energy: -0.6606962729391211
Energy: -0.4293915809042974
Energy: -0.6652904809385258
Energy: -0.4293915809059799
Energy: -0.648561590162292
Energy: -0.4293915809071016

minimum gb energy = -2.9596726717992548 eV
minimum distance =  2.39558523342448 Angstroms
sigma value = 57


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

Energy: -0.6719211759744158
Energy: -1.161959170940933
Energy: -0.7478267358543226
Energy: -1.1619588678595882
Energy: -0.6719211759780469
Energy: -1.1619587913328755
Energy: -0.8167721096316142
Energy: -2.667680058549205
Energy: -0.8188711329041545
Energy: -2.6676800642022043
Energy: -0.8219258201396871
Energy: -2.6676800579017472
Energy: -1.3623671179695251
Energy: -0.7477635295765794
Energy: -1.334338768508069
Energy: -0.747763528842013
Energy: -1.3623670892581567
Energy: -0.7477635282032365
Energy: -0.7434887186605704
Energy: -1.1001832711717083
Energy: -0.7434887186656536
Energy: -1.1400392861627624
Energy: -0.7434887187150011
Energy: -1.1421350556715975
Energy: -1.096266197246123
Energy: -2.0390989883597337
Energy: -1.0781065097417684
Energy: -1.202552795582912
Energy: -1.0782331632951252
Energy: -1.2028898359097233
Energy: -1.380123621174076
Energy: -1.1010526316939604
Energy: -1.415605599673773
Energy: -1.10105263440942
Energy: -1.3865969615140359
Energy: -1.101052637111776
Energy: -1.1397144843810865
Energy: -0.8114188867598071
Energy: -1.1397144842656568
Energy: -0.806542160347778
Energy: -1.1397144842925253
Energy: -0.8008207608710689
Energy: -0.7580688856300518
Energy: -1.156490386001824
Energy: -0.7580688853172323
Energy: -1.1564903858559274
Energy: -0.7580688854841552
Energy: -1.1564903860061813
Energy: -1.0100265392714083
Energy: -2.6365687152940476
Energy: -1.0240702409446403
Energy: -2.6365681456108643
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Energy: -2.6365692018706457
Energy: -1.70144915806496
Energy: -0.9578550282490615
Energy: -1.6993670967193812
Energy: -0.9578550282490615
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Energy: -1.5075020122820457
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Energy: -1.5079455234596675
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Energy: -1.2091605325617363
Energy: -1.1732872248971546
Energy: -1.1065300691448492
Energy: -1.1732872244217365
Energy: -1.1567463133562452
Energy: -1.1458070909504516
Energy: -1.2403861972523609
Energy: -1.1458069821179326
Energy: -1.1567463161333644
Energy: -1.1458069887479114
Energy: -0.9794599927655662
Energy: -2.8001385780350043
Energy: -0.9116353315980124
Energy: -2.800318173401625
Energy: -0.9027420860652614
Energy: -2.800044781786709
Energy: -1.6101190185626533
Energy: -0.996009440990984
Energy: -1.622309000858872
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Energy: -1.2676483711579751
Energy: -1.5762141134038232
Energy: -1.2676483711594273
Energy: -1.5762141133980136
Energy: -1.267648371161606
Energy: -1.5762141133464547
Energy: -1.6769234972138074
Energy: -0.9795090878191448
Energy: -1.6769234972101768
Energy: -0.9795090878227757
Energy: -1.6769234972050935
Energy: -0.9795090878176924
Energy: -1.2636836008946004
Energy: -1.1664763342484663
Energy: -1.2181837216102205
Energy: -1.166476334242657
Energy: -1.2225743824898418
Energy: -1.1664763342361213
Energy: -1.2257061647509235
Energy: -1.1438179108965214
Energy: -1.2257061647494711
Energy: -1.143817912081156
Energy: -1.2257061647545542
Energy: -1.143817910914676
Energy: -1.1716936049230409
Energy: -1.2658077682515372
Energy: -1.170259780049671
Energy: -1.2658077676054988
Energy: -1.1550734623859837
Energy: -1.2658077677281907
Energy: -1.495054835359011
Energy: -2.3779996066422155
Energy: -1.4841749037174532
Energy: -2.377999607465343
Energy: -1.4732451719688422
Energy: -2.377999605636882
Energy: -1.067799581248466
Energy: -2.7253705710142344
Energy: -0.9961927279676398
Energy: -2.3168091099104657
Energy: -1.0069079243847325
Energy: -2.072479403609795

minimum gb energy = -2.800318173401625 eV
minimum distance =  2.37527949066828 Angstroms
sigma value = 17


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

Energy: -1.4298191100176527
Energy: -1.3602701227068923
Energy: -1.429819110054624
Energy: -1.3602701227325666
Energy: -1.4298191099550541
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Energy: -1.6080219526668056
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Energy: -1.4559582576163286
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Energy: -1.9052262628890984
Energy: -1.1791694793290064
Energy: -1.905227144621326
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Energy: -1.7020879427895526
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Energy: -1.7612447922791534
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Energy: -1.7612447899120183
Energy: -1.4068704377983567
Energy: -1.761244791210584
Energy: -1.406870437836355
Energy: -1.7300803017815098
Energy: -1.9796131110447566
Energy: -1.7300803043622095
Energy: -1.9768536594256627
Energy: -1.7300802987491737
Energy: -1.9973085812323215
Energy: -1.783679754389008
Energy: -1.6548518477538718
Energy: -1.7836797544064666
Energy: -1.4408284843699601
Energy: -1.7836797543787384
Energy: -1.5175772152406795
Energy: -1.5386689986336624
Energy: -1.4981412621159522
Energy: -1.539171190271454
Energy: -1.4981434919288994
Energy: -1.6194188311009616
Energy: -1.4981422447141184
Energy: -1.3031462673426784
Energy: -1.4310404723318397
Energy: -1.261278621007655
Energy: -1.4310404720064276
Energy: -1.2630323639001155
Energy: -1.4310404719161005
Energy: -1.507106123531387
Energy: -2.0101785120344773
Energy: -1.5071061235129013
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Energy: -1.5071061235324141
Energy: -1.9923653888573485
Energy: -1.6906968183065383
Energy: -1.4867013364134423
Energy: -1.5368458546930877
Energy: -1.486701343678137
Energy: -1.5657639471786138
Energy: -1.4867012413309242
Energy: -1.9082049694922933
Energy: -1.5029616340790055
Energy: -1.908201299120381
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Energy: -1.908203951146554
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Energy: -1.8283393902413287
Energy: -1.4405756593990515
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Energy: -1.8283393902218164
Energy: -1.6949060434088545
Energy: -2.005911705562659
Energy: -1.667585072242596
Energy: -2.0266225357464203
Energy: -1.7730483148251
Energy: -1.9958870090825118
Energy: -1.6839180243809706
Energy: -1.335924245549685
Energy: -1.6133670010272134
Energy: -1.3359242444892845
Energy: -1.7223873958347666
Energy: -1.3359242457416363
Energy: -1.3639002685785853
Energy: -2.1248991333728386
Energy: -1.3639002685550117
Energy: -2.124899133482678
Energy: -1.3639002683466286
Energy: -2.124899133593545

minimum gb energy = -2.124899133593545 eV
minimum distance =  2.38595370373729 Angstroms
sigma value = 17


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

Energy: -2.018232762843126
Energy: -2.3302499164399415
Energy: -2.018232762790777
Energy: -2.3302499164383557
Energy: -2.018232762841143
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Energy: -2.703435329264222
Energy: -3.0051103454522554
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Energy: -2.499860016544722
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Energy: -2.689111285708829
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Energy: -2.682778893810873

minimum gb energy = -3.613652167982782 eV
minimum distance =  2.34996706104767 Angstroms
sigma value = 57


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

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Energy: -3.621359308547545
Energy: -3.624419184568724
Energy: -3.569281640501005
Energy: -3.624419184531272

minimum gb energy = -4.5810205615011546 eV
minimum distance =  2.36430696298138 Angstroms
sigma value = 43


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

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Energy: -2.748664227950877
Energy: -2.599548063424742
Energy: -2.794928605436612
Energy: -2.5995480549748917

minimum gb energy = -3.0860351666958685 eV
minimum distance =  2.37607733300247 Angstroms
sigma value = 81


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

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Energy: 0.009057898854129576
Energy: -1.7244283291013527

minimum gb energy = -2.211367894437558 eV
minimum distance =  2.35851151392787 Angstroms
sigma value = 3


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

Energy: -1.4022446700148912
Energy: -1.2157206920335468
Energy: -1.402244646840558
Energy: -1.284976062161536
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Energy: -1.076108837874369
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Energy: -3.7357437851897326
Energy: -1.28668684134341
Energy: -1.1693094341364478
Energy: -1.2997792942149167
Energy: -1.209062574743659
Energy: -1.2875804089620082
Energy: -3.473726396769944
Energy: -0.844511139471019
Energy: -1.2104417398262706
Energy: -0.8286777184990956
Energy: -1.210953289207467
Energy: -0.8281841200825182
Energy: -1.1913176157880043
Energy: -1.089726182511989
Energy: -3.752666130191046
Energy: -1.0814342205294099
Energy: -3.635557565755597
Energy: -1.0856621542927174
Energy: -3.6186946048321493
Energy: -1.3611747101964853
Energy: -0.8664987412533884
Energy: -1.3611747333077544
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Energy: -1.36117476836038
Energy: -0.8537128032886548
Energy: -1.0568906820567694
Energy: -1.09286244327366
Energy: -3.292278757881381
Energy: -1.077564321771801
Energy: -3.3968635158430427
Energy: -1.0619987781504916
Energy: -3.242341848694546
Energy: -1.0991018243133464
Energy: -3.18652845200942
Energy: -1.0990756952150504
Energy: -4.737305584853403
Energy: -1.0969251602126757
Energy: -1.1187449185808016
Energy: -0.961521188568177
Energy: -1.110593179183896
Energy: -0.9333986496860466
Energy: -1.0985130565358339
Energy: -0.9639825741262862
Energy: -1.0691232962767614
Energy: -1.5199276713687058
Energy: -1.1539524057987518
Energy: -1.4961284123511391
Energy: -1.0944583156258478
Energy: -1.4640130211807934
Energy: -3.400117527307187
Energy: -1.1411895673589436
Energy: -3.650759210010452
Energy: -1.1415497807036314
Energy: -4.1149754336469195
Energy: -1.0665279304907425
Energy: -1.3743755689462693
Energy: -3.894192876147088
Energy: -1.374375372872379
Energy: -3.843177297608284
Energy: -1.3743749028487011
Energy: -2.803326765697601
Energy: -1.049613928841276
Energy: -1.2736131578131613
Energy: -1.052666073499277
Energy: -1.2366685583935209
Energy: -1.051896317912738
Energy: -1.2877099755540269

minimum gb energy = -4.737305584853403 eV
minimum distance =  2.30850950966041 Angstroms
sigma value = 67


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

Energy: -5.011577945451911
Energy: -1.4332139403372743
Energy: -4.435583741662605
Energy: -1.4332139402695274
Energy: -3.690192761464705
Energy: -1.4332139403026973
Energy: -1.8919092931935921
Energy: -4.103209135709037
Energy: -1.8619658782496
Energy: -3.3223355801254564
Energy: -1.8200166718064767
Energy: -3.4937850510251725
Energy: -1.5220026311527743
Energy: -3.5834072077640013
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Energy: -7.368317477916899
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Energy: -3.5353940493583127
Energy: -1.4627068879044431
Energy: -1.8658962116829092
Energy: -5.739169483784691
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Energy: -6.081185734246734
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Energy: -1.4520449629458738
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Energy: -8.209834399556906
Energy: -1.6156028003173328
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Energy: -1.6455077030467595
Energy: -7.888026088657829
Energy: -6.653574419906317
Energy: -2.0118139108262625
Energy: -4.270837886707965
Energy: -2.0118139145675964
Energy: -7.059964444179468
Energy: -2.01181391490137
Energy: -1.5814458581537998
Energy: -6.522295888426927
Energy: -1.5864050934823435
Energy: -7.269938253286732
Energy: -1.6161993680948405
Energy: -3.4580974359115575
Energy: -1.6782133888752166
Energy: -1.2891424612873155
Energy: -1.617092727741818
Energy: -1.2734925688642744
Energy: -1.9850224647497974
Energy: -1.2794723481251356

minimum gb energy = -8.209834399556906 eV
minimum distance =  2.28496933554768 Angstroms
sigma value = 33


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

Energy: -4.286200062262918
Energy: -4.263063106074525
Energy: -4.880528710800558
Energy: -4.028873389354928
Energy: -2.877296614266903
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Energy: -5.015783015489403
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Energy: -1.0525603769575338
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Energy: -0.9153714269919503
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Energy: -0.9145068796819127
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Energy: -1.210108238994373
Energy: -0.9766602622980939
Energy: -1.1794664486583761
Energy: -0.9766602610889122
Energy: -1.1934628621797176
Energy: -0.9766602619148285
Energy: -0.8208694984463162
Energy: -5.12404960899931
Energy: -0.8208694377244936
Energy: -4.257623714607549
Energy: -0.8208694584226871
Energy: -0.7738784395809708
Energy: -5.1320326156159055
Energy: -0.8790153287428567
Energy: -4.853745306807061
Energy: -0.879015328912512
Energy: -4.601905600822009
Energy: -0.879015328763899

minimum gb energy = -5.6845820789832455 eV
minimum distance =  2.34771048781412 Angstroms
sigma value = 41


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

Energy: -0.9635707471084055
Energy: -0.47850007604287753
Energy: -0.9485011972775553
Energy: -0.47850117837928785
Energy: -0.9284501990232723
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Energy: -1.4782286543655818
Energy: -0.02908710471657441
Energy: -1.5306375769875706
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Energy: -1.2588403781430164
Energy: -1.5312317033440934
Energy: -2.9457745003737563
Energy: -2.1785009277337988
Energy: -2.231040724725906
Energy: -2.2526723415510674
Energy: -1.146500876616008
Energy: -2.2173996739828876
Energy: -2.2210212347420306
Energy: -0.3803525867543192
Energy: -1.7927824471953584
Energy: -0.3803855525573131
Energy: -1.812557916442991
Energy: -0.38054074460107534
Energy: -4.224609404239064
Energy: -1.2213631059007128
Energy: -1.4599281429010253
Energy: -1.1579774326541645
Energy: -3.7993182528937917
Energy: -1.1521441895778861
Energy: -1.079451540779704
Energy: -1.932033231056094
Energy: -1.1114480011701617
Energy: -2.465606643148444
Energy: -1.1775179807678848
Energy: -1.455290764456703
Energy: -0.666369598291357
Energy: -1.5235905582713296
Energy: -0.7230439655946411
Energy: -1.5235907666957111
Energy: -0.6600808156247898
Energy: -1.523590646683083
Energy: -1.534824512878825
Energy: -1.0299906603255216
Energy: -1.6248871109347753
Energy: -1.0299988083811797
Energy: -2.4809496034197958
Energy: -1.0299921037595672
Energy: -2.1108690899060085
Energy: -0.41734235048405405
Energy: -2.9398075854094547
Energy: -0.4173423546212579
Energy: -2.347392595911173
Energy: -0.41734234856476804
Energy: -4.170362065087425
Energy: -1.5074455900529709
Energy: -1.3097419583563763
Energy: -1.507445605859153
Energy: -3.5377992870880255
Energy: -1.5074456007737675
Energy: -0.8720331900643483
Energy: -1.539250907324678
Energy: -0.9053192315131875
Energy: -1.5396896692471553
Energy: -0.9224087327121571
Energy: -1.5397135386438652
Energy: -1.7301677063760463
Energy: -2.376878913695356
Energy: -1.7301686068257065
Energy: -2.3533064496076728
Energy: -1.730169960941948
Energy: -2.3266011049702584
Energy: -2.146222787908946
Energy: -1.4988336919760579
Energy: -1.6260908802716212
Energy: -1.4988336919798881
Energy: -1.599970970534656
Energy: -1.498833691921218

minimum gb energy = -4.224609404239064 eV
minimum distance =  2.39405090338523 Angstroms
sigma value = 11


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

Energy: -0.2018296506981369
Energy: -0.570579900962605
Energy: -0.20182964275946547
Energy: -0.5412963575268118
Energy: -0.2018296216292405
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Energy: -2.3472856947609366
Energy: -1.75354614927563
Energy: -1.4120454221877896
Energy: -2.5002867098623645
Energy: -1.4702463878446623
Energy: -3.075069593213408
Energy: -2.08931574740731
Energy: -1.1969727538055157
Energy: -0.9791890942989355
Energy: -2.003488007027287
Energy: -2.2725049955240832
Energy: -2.364485197232985
Energy: -2.3227706047834022
Energy: -2.177534489384559
Energy: -2.14916565580517
Energy: -3.0312252570620863
Energy: -2.5402953622083393
Energy: -1.9520372012533418
Energy: -3.1633795741740696
Energy: -2.6827413506649376
Energy: -3.0275456882196017
Energy: -1.8855530913846137
Energy: -0.530735520261006
Energy: -0.46139119770021664
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Energy: -1.5118668068498697
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Energy: -2.9854905577547064
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Energy: -3.17750300901235
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Energy: -1.3934488329922958
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Energy: -2.133380699852973
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Energy: -1.7645814347408468
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Energy: -2.9321738152567884
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Energy: -2.723179443456496
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Energy: -0.5058008070509111
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Energy: -2.15805708116675
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Energy: -2.1111392014406425
Energy: -2.5402057713866557
Energy: -0.8310699855586702
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Energy: -1.358474479109672
Energy: -2.201803793535454
Energy: -2.0475490710167823
Energy: -2.1817177940408192
Energy: -2.448315119984001
Energy: -2.4758448885955295
Energy: -2.4565729502487903
Energy: -2.377063774782862
Energy: -2.583398336128971
Energy: -2.1111086931853693
Energy: -2.709532741439227
Energy: -2.595892299511763
Energy: -1.7094453049182745
Energy: -2.5119118387082575
Energy: -1.7423018061075182
Energy: -2.259794433056702
Energy: -2.695342503832013
Energy: -2.4675620895580916
Energy: -2.455646449791116
Energy: -2.6608382600145406
Energy: -3.3301467543173606
Energy: -1.3766743618209925
Energy: -2.4600044998433273
Energy: -1.8967952635653813
Energy: -2.945057678466694
Energy: -2.8575789189432066
Energy: -2.914976603928251
Energy: -1.9005483581580593
Energy: -1.3097318237408488
Energy: -1.4845915017146722
Energy: -1.1338264025374547
Energy: -1.4079061340946464
Energy: -2.328753554708055
Energy: -1.51895352291915
Energy: -2.5536859808764016
Energy: -1.5741914633368708
Energy: -2.0328005204552553
Energy: -1.6159994780160678

minimum gb energy = -3.4522481547198693 eV
minimum distance =  2.301981426028 Angstroms
sigma value = 57


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

Energy: -0.6647208874502301
Energy: -1.7596141292094192
Energy: -0.6570684250684184
Energy: -1.3667306841425846
Energy: -0.6549021954843062
Energy: -1.7739340836123458
Energy: -0.9425739567507696
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Energy: -0.9425766636650125
Energy: -1.7121474681375934
Energy: -0.9425814308417886
Energy: -1.6274766307499198
Energy: -0.8398119472011628
Energy: -1.6422578547411248
Energy: -0.8137739658650601
Energy: -1.6363615505152418
Energy: -0.836405435174596
Energy: -1.655491603575582
Energy: -0.4710551998122173
Energy: -1.6521056707966637
Energy: -0.43620810818249744
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Energy: -0.46688599654665147
Energy: -1.5764548709130661
Energy: -1.297787105086206
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Energy: -0.943008115955567
Energy: -1.109636364415681
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Energy: -1.1029684898202778
Energy: -0.6774923947181116
Energy: -2.5161556377880263
Energy: -0.6894444327713444
Energy: -1.2390056914532497
Energy: -0.702714819918891
Energy: -1.782515254975903
Energy: -0.9425739549072043
Energy: -1.5432021833856644
Energy: -0.9425766685382708
Energy: -2.1103618821598564
Energy: -0.942581130076609
Energy: -1.6883553276610557
Energy: -0.8643090030636938
Energy: -1.6567713230144385
Energy: -0.8543362527113367
Energy: -1.7237876637669163
Energy: -0.81727083858326
Energy: -1.6572794913434026
Energy: -0.3978278811415547
Energy: -1.6576909662248815
Energy: -0.44639851242514406
Energy: -0.9798676818357488
Energy: -0.4756206725543564
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Energy: -2.5332271438270735
Energy: -1.6632193659468077
Energy: -1.8763311220911105
Energy: -1.6458788525296701
Energy: -0.8356009725982676
Energy: -1.6456973315478618
Energy: -0.9430081743550066
Energy: -1.50974708485712
Energy: -0.9430081207799669
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Energy: -0.9430080500382387
Energy: -1.0547818855912763
Energy: -0.6645519240857797
Energy: -1.4589943953237814
Energy: -0.6959444658762765
Energy: -0.8861861217746829
Energy: -0.6605479299520067
Energy: -1.5278123944920525
Energy: -0.9425739508719383
Energy: -1.6319071240410294
Energy: -0.9425767374943199
Energy: -1.6872428900556244
Energy: -0.942581356940622
Energy: -1.7118678241458132
Energy: -0.8675547734155591
Energy: -1.647402718636245
Energy: -0.8208470799138465
Energy: -1.7141520635005685
Energy: -0.8246705246224822
Energy: -1.6562361875306624
Energy: -0.3836340638426613
Energy: -0.9911711505870487
Energy: -0.43784659527707437
Energy: -0.9841162370428584
Energy: -0.43922075568943825
Energy: -1.6524786564297977
Energy: -1.7098522538251408
Energy: -1.6485153385499112
Energy: -0.7872789256132703
Energy: -1.646463341507668
Energy: -0.8556532504658981
Energy: -1.6439862311407674

minimum gb energy = -2.5332271438270735 eV
minimum distance =  2.37974923257363 Angstroms
sigma value = 9


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

Energy: -1.5997477186651703
Energy: -2.1424628126571013
Energy: -1.421102447170522
Energy: -1.9004679789609078
Energy: -1.6327001836215183
Energy: -2.179021243785108
Energy: -1.2356273034298781
Energy: -2.5768505073769536
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Energy: -2.629961905989129
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Energy: -2.149305585946306
Energy: -2.4291414204775017
Energy: -2.4031108301131643
Energy: -1.8825929648338122
Energy: -2.9072318631770995
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Energy: -2.2645378946998225
Energy: -2.165321828660333
Energy: -2.245900144108701
Energy: -3.4790292016184856
Energy: -2.2714027854589354
Energy: -2.1836226944483337
Energy: -2.0038991870479927
Energy: -2.5457387490430046
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Energy: -3.200662223651148
Energy: -2.314650392930902
Energy: -3.0386617253883506
Energy: -1.8098748571384662
Energy: -3.0704130517354273
Energy: -2.0136764601255606
Energy: -2.8489167762688123
Energy: -2.035517508583323
Energy: -4.0447606180264595
Energy: -2.4403320607716967
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Energy: -2.287629736505537
Energy: -2.4204793673595444
Energy: -1.9176747289716347
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Energy: -2.204370495573494
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Energy: -2.5379044075209496
Energy: -2.2318433408123326
Energy: -2.1479732827223272
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Energy: -2.4135717057418433
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Energy: -2.201995824544686
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Energy: -2.3498770374871274
Energy: -2.360542781669636
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Energy: -2.278881415690798
Energy: -2.0525583802027474
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Energy: -1.979294641531347
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Energy: -2.685463215066969
Energy: -1.8484273050469098
Energy: -1.3137823841477498
Energy: -1.0198262622322165
Energy: -1.6013762094692972
Energy: -4.227091643547709
Energy: -1.8693943998896896
Energy: -2.3134806373242887
Energy: -2.117718694234933
Energy: -2.3597384990906294
Energy: -2.1208169395400827
Energy: -2.508523156283864
Energy: -2.2512666821919196
Energy: -1.934131484451003
Energy: -1.775839420301827
Energy: -1.899741462011664
Energy: -1.817052974123476
Energy: -1.6869193552126795
Energy: -1.8712952879112852
Energy: -2.0109198976811724
Energy: -1.8163878709105878
Energy: -3.782464898955698
Energy: -2.2909194057699187
Energy: -2.4982813050597876
Energy: -1.9016627177533632
Energy: -3.399969622930861
Energy: -1.8953463608002132
Energy: -3.165636859359967
Energy: -1.9842503021233957
Energy: -3.218628148991183

minimum gb energy = -4.429914285624913 eV
minimum distance =  2.28173919256687 Angstroms
sigma value = 27


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

Energy: -3.310842932513945
Energy: -2.67208362302722
Energy: -2.3235308243688633
Energy: -2.057041042818238
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Energy: -2.1628372796253004
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Energy: -1.2000017636633147
Energy: -1.684098901183033
Energy: -2.0038256802648577
Energy: -1.639174077030215
Energy: -2.47626443032698
Energy: -1.4586083336023865
Energy: -2.0662222766098544
Energy: -2.234940329652126
Energy: 0.7612786296822596
Energy: -3.036949675302166
Energy: 0.7612786296822596
Energy: -2.5109546496827084
Energy: 0.7612786296808858
Energy: -1.3924968396491175
Energy: -2.4357836599292018
Energy: -2.320181894832951
Energy: -2.242402616404164
Energy: -1.373919760984562
Energy: -2.034570517885232
Energy: -1.7068213654900661
Energy: 0.6817713050957679
Energy: -1.7319907960463072
Energy: 0.6817712906394947
Energy: -1.8140348251000562
Energy: 0.6817712551404854
Energy: 0.7310275317514111
Energy: -2.2444671535217955
Energy: 0.7310275317514111
Energy: -2.102718464271788
Energy: 0.7310275317514111
Energy: -2.42845950468419
Energy: -1.4082127789286412
Energy: -1.6594983668453642
Energy: -1.2430020066249483
Energy: -1.7120323746132915
Energy: -0.9793986174728413
Energy: -2.078643234731477
Energy: 0.6939143284171905
Energy: -2.0205599521244193
Energy: 0.6939143284178774
Energy: -2.447870858621954
Energy: 0.6939143284185643
Energy: -2.149319997908257
Energy: -1.7465633850410616
Energy: -1.280643097892076
Energy: -2.1323270538272308
Energy: -1.4407218434626112
Energy: -2.0449779035935536
Energy: -1.8653855201441638

minimum gb energy = -3.310842932513945 eV
minimum distance =  2.29018285984491 Angstroms
sigma value = 19


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

Energy: -1.1069332386875637
Energy: -0.8014632580923525
Energy: -1.0446045872657035
Energy: -0.8348067365009432
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Energy: -0.7889009710477722
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Energy: -1.3773079189508277
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Energy: -1.4652882715526094
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Energy: -1.4334924446503825
Energy: -0.9989484893713724
Energy: -1.6966169454377897
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Energy: -1.8738662506087136
Energy: -1.1896217402869533
Energy: -1.9302813646083328
Energy: -1.2276761996454948
Energy: -1.1123058214787744
Energy: -1.0461831446526317
Energy: -1.0110578328459336
Energy: -1.1266397674798352
Energy: -1.088952053736185
Energy: -0.9236342715706912
Energy: -1.089008975284401
Energy: -1.2989063483285015
Energy: -1.4171900285665582
Energy: -1.3366946932336783
Energy: -1.3217612193786503
Energy: -1.2032904005360692
Energy: -1.1507443733826412
Energy: -1.020235200599546
Energy: -1.2966278393224109
Energy: -1.419737640740021
Energy: -1.3095191237172312
Energy: -1.2510765279293483
Energy: -1.6637878029696307
Energy: -1.2967190670726108
Energy: -1.845157377645222
Energy: -1.2832978476550876
Energy: -1.6990167522676218
Energy: -1.2788699485047246
Energy: -1.2028928221102604
Energy: -1.479438196811469
Energy: -1.2472616266025787
Energy: -1.4084584173020203
Energy: -1.2611602897900103
Energy: -1.421288192534597
Energy: -1.4076523364409737
Energy: -1.108640012739969
Energy: -1.338184573647772
Energy: -0.6649763071222196
Energy: -1.3375287025962908
Energy: -1.1478662547500853
Energy: -1.5623918013007165
Energy: -1.2727139760090636
Energy: -1.1754596377802733
Energy: -1.2993102799074008
Energy: -1.1926777422972976
Energy: -1.0273270570621784

minimum gb energy = -3.021877452738122 eV
minimum distance =  2.31201566123247 Angstroms
sigma value = 101


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

Energy: -1.030473567910304
Energy: -2.8793463088238602
Energy: -1.043990745765592
Energy: -0.9592293350661433
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Energy: 0.6639414879513544
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Energy: -3.677052276500144
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Energy: -3.1829105981006665
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Energy: -1.4577162818691514
Energy: -1.2550676880295983
Energy: -1.5279555282933468
Energy: 0.7072587420380462
Energy: -0.8786363403147529
Energy: 0.7072587420406522
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Energy: -0.8620796094069184
Energy: -1.672750777696877
Energy: -1.3211531744383975
Energy: -1.5796534703722807
Energy: -1.4480737599600848
Energy: -1.8854287242068324
Energy: -1.3132997823438786
Energy: -1.881635409821526
Energy: -3.4311245634659113
Energy: -4.4997438936512895
Energy: -3.4937041865724145
Energy: -4.036515179981972
Energy: -3.3296117280754594
Energy: -1.3300191362611484
Energy: -0.8805301248004245
Energy: -1.2835155564783713
Energy: -2.9085283292857795
Energy: -1.2693514762856086
Energy: -2.5154414489152286
Energy: -1.1374307998449147
Energy: -1.324616734958683
Energy: -1.088489764925496
Energy: -1.332319390055029
Energy: -1.0816141725203223
Energy: -1.3038986731645004

minimum gb energy = -4.4997438936512895 eV
minimum distance =  2.29274043461729 Angstroms
sigma value = 33


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

Energy: 0.01706526125424367
Energy: 0.45353411685410966
Energy: 0.01706526125424367
Energy: 0.4535341168524256
Energy: 0.01706526125424367
Energy: 0.45353411685326755
Energy: 0.017757856022139404
Energy: 0.08238434925777002
Energy: 0.017757856022139404
Energy: 0.08238434925817903
Energy: 0.017757856022139404
Energy: 0.08238434925817903
Energy: 0.6588983198725532
Energy: -5.34011231245703
Energy: -1.470101833077907
Energy: -5.34011231245703
Energy: -1.5330499504355528
Energy: -5.34011231245703
Energy: 0.017757856020888352
Energy: 0.08238434925777002
Energy: 0.017757856020888352
Energy: 0.08238434925777002
Energy: 0.017757856020888352
Energy: 0.08238434925777002

minimum gb energy = -5.34011231245703 eV
minimum distance =  2.55705201672761 Angstroms
sigma value = 1