Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000071525574
cohesive_energy=3.360264249995487
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.01267039084506408
Energy: 0.14251150529107864
Energy: 0.09811995076645942
Energy: 0.14119849679973911
Energy: 0.01267039084506408
Energy: 0.14251150529128265
Energy: 0.14261548126304324
Energy: 0.1430012106213366
Energy: 0.012937560929757631
Energy: 0.10970947700616457
Energy: 0.012951688613007275
Energy: 0.14300121062074725
Energy: 0.012937560929349617
Energy: 0.10970947700557522
Energy: 0.01267039084506408
Energy: 0.142511505291872
Energy: 0.09811995076666342
Energy: 0.14119849679973911
Energy: 0.01267039084506408
Energy: 0.14251150529128265
Energy: 0.14261548126304324
Energy: 0.1430012106213366
Energy: 0.012937560929938974
Energy: 0.10970947700616457
Energy: 0.012951688612417918
Energy: 0.14300121062095125
Energy: 0.012937560929349617
Energy: 0.10970947700577921
Energy: 0.01267039084506408
Energy: 0.14251150529148665
Energy: 0.0981199507662554
Energy: 0.14119849679973911
Energy: 0.01267039084506408
Energy: 0.14251150529169065
Energy: 0.1426154812628619
Energy: 0.14300121062113258
Energy: 0.012937560929938974
Energy: 0.10970947700596055
Energy: 0.012951688612417918
Energy: 0.14300121062095125
Energy: 0.012937560929553622
Energy: 0.10970947700557522

minimum gb energy = 0.01267039084506408 eV
minimum distance =  2.83686571060197 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.2968803805410452
Energy: 0.282736338294934
Energy: 0.3215987408200572
Energy: 0.282803537740225
Energy: 0.2968803805434822
Energy: 0.282736338292497
Energy: 0.32702794312022543
Energy: 0.2796818123459514
Energy: 0.27939577979568164
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Energy: 0.293321662210365
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Energy: 0.27939577979811864
Energy: 0.2898233233256467
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Energy: 0.2660516376305422
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Energy: 0.2908872868542659
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Energy: 0.2894662548031189
Energy: 0.3076921446580834
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Energy: 0.27604522051345914
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Energy: 0.2943531212474426
Energy: 0.2858089682385956
Energy: 0.3333064696432837
Energy: 0.28115504130803565
Energy: 0.2943531212401317
Energy: 0.28580896823372165
Energy: 0.3333064696457207
Energy: 0.2857245928687276
Energy: 0.29291090133297215
Energy: 0.30675874397249875
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Energy: 0.2857245928711646
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Energy: 0.280666196112102
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Energy: 0.29590627947396086
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Energy: 0.269639999035765
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Energy: 0.2865418370690207
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Energy: 0.28269954552811505
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Energy: 0.28963457881226434
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Energy: 0.27308702928433337
Energy: 0.29528801310480485
Energy: 0.2838942208845481
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Energy: 0.2951247933929145
Energy: 0.2778561875758981
Energy: 0.2838942208821111
Energy: 0.2757708066855682
Energy: 0.29512479339778835
Energy: 0.3124967658510358
Energy: 0.2855445912508474
Energy: 0.30737763431449144
Energy: 0.2881773025221542
Energy: 0.3124967658534728
Energy: 0.2855445912459734
Energy: 0.3073776343047435
Energy: 0.2860106166374243
Energy: 0.28380105341301864
Energy: 0.3128316748033085
Energy: 0.30184151837749534
Energy: 0.2860106166496092
Energy: 0.28380105341058165
Energy: 0.31283167480818247
Energy: 0.2650477766090225
Energy: 0.28023978518456744
Energy: 0.2914974629078747
Energy: 0.2751803239774055
Energy: 0.2650477766090225
Energy: 0.2802397851772565
Energy: 0.2914974629078747
Energy: 0.2688259358499168
Energy: 0.28968433256710835
Energy: 0.30979547427623466
Energy: 0.30358969085019827
Energy: 0.2688259358523538
Energy: 0.28968433257441933
Energy: 0.30979547428110865
Energy: 0.26577409309516953
Energy: 0.2906477735500461
Energy: 0.3067912903308284
Energy: 0.27307596765732833
Energy: 0.26577409309273253
Energy: 0.29064777355492005
Energy: 0.3067912903283914

minimum gb energy = 0.26452486735540065 eV
minimum distance =  2.51517129843588 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.29306943479930464
Energy: 0.2809153633684888
Energy: 0.3047077382271549
Energy: 0.2807443247006916
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Energy: 0.262637342458528
Energy: 0.2713720067922827
Energy: 0.28819758786234084
Energy: 0.26258148269167053
Energy: 0.26914142403016417
Energy: 0.2873730003948462
Energy: 0.2715823707791126
Energy: 0.2625814826913688
Energy: 0.26914142403182384
Energy: 0.28844411812698334
Energy: 0.26254339235956764
Energy: 0.2731227633864077
Energy: 0.29797213871872724
Energy: 0.2773614842986135
Energy: 0.26254339235237545
Energy: 0.2731227633927449
Energy: 0.3017796301869375
Energy: 0.2647576090341946
Energy: 0.27213391519283403
Energy: 0.3061662892362479
Energy: 0.2787766404083747
Energy: 0.2647576090389223
Energy: 0.27213391519695823
Energy: 0.3058729043835633
Energy: 0.2645260922945732
Energy: 0.27299772647163933
Energy: 0.3138778702531916
Energy: 0.2772763161107187
Energy: 0.26452609229487495
Energy: 0.27299772647028137
Energy: 0.31547748554027943
Energy: 0.2624466448947832
Energy: 0.2816955331423795
Energy: 0.2758598027323914
Energy: 0.28224689891317256
Energy: 0.2624466448950347
Energy: 0.2816955331440392
Energy: 0.304615822886935
Energy: 0.27523875613395465
Energy: 0.2704659401197408
Energy: 0.2992997749632524
Energy: 0.28490058840110366
Energy: 0.27523875613697235
Energy: 0.27046594012054553
Energy: 0.30198516800281383
Energy: 0.29306943479930464
Energy: 0.28091536336823736
Energy: 0.2916150014626641
Energy: 0.2807443247012449
Energy: 0.2930694347987514
Energy: 0.2809153633673823
Energy: 0.2935898311396151
Energy: 0.27484591203782854
Energy: 0.2849572908290161
Energy: 0.29910922863572825
Energy: 0.2704711645843129
Energy: 0.27484591203616887
Energy: 0.28495729083369353
Energy: 0.299109228638243

minimum gb energy = 0.26235715117538977 eV
minimum distance =  2.53190185625453 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.27212532029966435
Energy: 0.26211160203576206
Energy: 0.3025215230978119
Energy: 0.26031912215134495
Energy: 0.27212532029966435
Energy: 0.2621116020360814
Energy: 0.30304536266862847
Energy: 0.2746118378912975
Energy: 0.26288409780179944
Energy: 0.2952521229101858
Energy: 0.2668518816300938
Energy: 0.2746118378909781
Energy: 0.2628840978037159
Energy: 0.29525212291210234
Energy: 0.2661257888019773
Energy: 0.28003261311565947
Energy: 0.3081907658596279
Energy: 0.27548756888521003
Energy: 0.26612578880229665
Energy: 0.2800326131147012
Energy: 0.3081907658625027
Energy: 0.272372199468028
Energy: 0.2730011114281158
Energy: 0.29900823894992257
Energy: 0.26795975532297117
Energy: 0.2723721994670697
Energy: 0.273001111429074
Energy: 0.2990082389515196
Energy: 0.27518658898856885
Energy: 0.26434354282755496
Energy: 0.3228283167698215
Energy: 0.27859042392980077
Energy: 0.2751865889892077
Energy: 0.2643435428265967
Energy: 0.31554777307948134
Energy: 0.2719230552245519
Energy: 0.26004394827978733
Energy: 0.30260365609321155
Energy: 0.264810537687185
Energy: 0.27192305522582955
Energy: 0.2600439482791485
Energy: 0.30260365609289214
Energy: 0.26931499164602024
Energy: 0.283215882580737
Energy: 0.290616274852378
Energy: 0.2723943001917935
Energy: 0.2693149916463397
Energy: 0.28321588258137576
Energy: 0.2882431529048943
Energy: 0.2711478529059355
Energy: 0.26675694960663665
Energy: 0.3198476981450516
Energy: 0.2733916943856441
Energy: 0.2711478529059355
Energy: 0.2667569496072754
Energy: 0.31984769814409336
Energy: 0.27372682088617545
Energy: 0.26803149232044443
Energy: 0.3020949475766065
Energy: 0.2761827371968274
Energy: 0.27372682088681427
Energy: 0.26803149231948614
Energy: 0.29903300682962913
Energy: 0.26499328943747624
Energy: 0.2765933093149657
Energy: 0.30703855822360804
Energy: 0.2704816624608539
Energy: 0.26499328943843453
Energy: 0.2765933093162434
Energy: 0.3070385582220109
Energy: 0.27848396057090036
Energy: 0.27150381395037054
Energy: 0.2778985061542703
Energy: 0.259527450190701
Energy: 0.27848396057217806
Energy: 0.2715038139516482
Energy: 0.2778985061542703
Energy: 0.2750634712418447
Energy: 0.2705617450589284
Energy: 0.3039676923637747
Energy: 0.2735715033996783
Energy: 0.2750634712428029
Energy: 0.27056174505828956
Energy: 0.30396769236441357
Energy: 0.26522045113313236
Energy: 0.2665931876091748
Energy: 0.3047316527342374
Energy: 0.2648221984073636
Energy: 0.26522045113281295
Energy: 0.26659318760981365
Energy: 0.3047316527345568
Energy: 0.2606023843961135
Energy: 0.2738135042805421
Energy: 0.3053193983166612
Energy: 0.27692787636210897
Energy: 0.26060238439451644
Energy: 0.2738135042818198
Energy: 0.30531939831538346
Energy: 0.2743125166532057
Energy: 0.2646024458616994
Energy: 0.2930969630939721
Energy: 0.2687246371770393
Energy: 0.2743125166525669
Energy: 0.26460244586265763
Energy: 0.2930969630933333
Energy: 0.27510827852844844
Energy: 0.2646464304731967
Energy: 0.30369655775559673
Energy: 0.27136994873338005
Energy: 0.27510827852876785
Energy: 0.26464643047223846
Energy: 0.3036965577559161
Energy: 0.2769900101754362
Energy: 0.25950108794735804
Energy: 0.30149193775902444
Energy: 0.26238777366697363
Energy: 0.2769900101744779
Energy: 0.25950108794703863
Energy: 0.301491937757108
Energy: 0.26503556767498315
Energy: 0.2883922656584724
Energy: 0.32001676816663344
Energy: 0.28514014662329884
Energy: 0.2650355676733861
Energy: 0.2883922656587918
Energy: 0.320016768167911
Energy: 0.27018846647810074
Energy: 0.2759564771046667
Energy: 0.3062726779645211
Energy: 0.2781020120377845
Energy: 0.27018846647810074
Energy: 0.27595647710530546
Energy: 0.30627267796324353
Energy: 0.27087729790392046
Energy: 0.26323539030227483
Energy: 0.3103752124204964
Energy: 0.27286238123220885
Energy: 0.2708772979029622
Energy: 0.2632353903019554
Energy: 0.3103752124217741
Energy: 0.26883363150855755
Energy: 0.2724386314602656
Energy: 0.3106915242911339
Energy: 0.27286422852099723
Energy: 0.2688336315082381
Energy: 0.27243863146058506
Energy: 0.3153293240001993
Energy: 0.2699960367447669
Energy: 0.2637301974616018
Energy: 0.30427246487800663
Energy: 0.260189676660586
Energy: 0.2699960367450863
Energy: 0.2637301974603241
Energy: 0.3042724648786455
Energy: 0.27511916361603983
Energy: 0.2780360476560199
Energy: 0.2848995399750982
Energy: 0.26424092765780105
Energy: 0.27511916361508154
Energy: 0.2780360476563393
Energy: 0.28917372449355544
Energy: 0.2729319841057063
Energy: 0.2656472760691118
Energy: 0.30852020625748006
Energy: 0.27439338369044697
Energy: 0.27293198410698394
Energy: 0.2656472760691118
Energy: 0.30852020625748006
Energy: 0.26638106676135576
Energy: 0.2708584370794977
Energy: 0.28697036725796526
Energy: 0.27034369133374253
Energy: 0.2663810667607169
Energy: 0.270858437080456
Energy: 0.28935182643227864
Energy: 0.2687807294070876
Energy: 0.2771418255498191
Energy: 0.29282980716833856
Energy: 0.2641431211991689
Energy: 0.26878072940772646
Energy: 0.2771418255498191
Energy: 0.29282980716865803
Energy: 0.2728301136302309
Energy: 0.2656342379654161
Energy: 0.29691718146149376
Energy: 0.26203515016759127
Energy: 0.2728301136305503
Energy: 0.2656342379663743
Energy: 0.29585106702075137
Energy: 0.27601731142848157
Energy: 0.26032658194965214
Energy: 0.28970484808813585
Energy: 0.2667321814948601
Energy: 0.27601731142912045
Energy: 0.26032658194965214
Energy: 0.2897048480878164
Energy: 0.2746025572775154
Energy: 0.2829827036328819
Energy: 0.29724032763513697
Energy: 0.27338844709606874
Energy: 0.27460255727655725
Energy: 0.2829827036322431
Energy: 0.2972403276357758
Energy: 0.26958784109598444
Energy: 0.27563874697733176
Energy: 0.3092282779530325
Energy: 0.2642886548077724
Energy: 0.269587841095665
Energy: 0.2756387469786094
Energy: 0.3092282779539907
Energy: 0.2720825075402491
Energy: 0.26392394755059395
Energy: 0.31314751213006925
Energy: 0.2781175444941402
Energy: 0.2720825075396103
Energy: 0.2639239475515522
Energy: 0.3131475121303597
Energy: 0.2704482718483057
Energy: 0.26010872289604553
Energy: 0.29570682725926994
Energy: 0.2661769568131809
Energy: 0.2704482718476669
Energy: 0.2601087228963649
Energy: 0.29570682725958936
Energy: 0.26832959609951945
Energy: 0.27531745122353424
Energy: 0.2910015184994889
Energy: 0.27244147030362365
Energy: 0.26832959609920004
Energy: 0.27531745122321477
Energy: 0.2910015185004472
Energy: 0.2708452103720455
Energy: 0.26480142081367164
Energy: 0.3164427566868278
Energy: 0.26217114303316047
Energy: 0.27084521037268433
Energy: 0.26480142081399105
Energy: 0.31644275668746663
Energy: 0.2736320631593255
Energy: 0.2673091908761321
Energy: 0.30651270455107205
Energy: 0.26872043338899326
Energy: 0.27363206315645067
Energy: 0.26730919087677096
Energy: 0.30651270455139146
Energy: 0.2655705474426782
Energy: 0.2831961908057582
Energy: 0.2985019803680674
Energy: 0.2784875492309185
Energy: 0.265570547443317
Energy: 0.2831961908057582
Energy: 0.29850198037062275

minimum gb energy = 0.25950108794703863 eV
minimum distance =  2.55475359022408 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.2664830288249034
Energy: 0.28552315355112656
Energy: 0.34157961426261974
Energy: 0.28547644500720354
Energy: 0.2664830288249034
Energy: 0.2855231535477339
Energy: 0.3240086937610792
Energy: 0.24667486152290985
Energy: 0.29072609666664484
Energy: 0.26915000986517035
Energy: 0.28672074453607926
Energy: 0.24667486152328685
Energy: 0.29072609666664484
Energy: 0.2691500098606467
Energy: 0.2660914117747207
Energy: 0.24157899855813075
Energy: 0.29752382357960316
Energy: 0.28778911066151264
Energy: 0.2660914117724589
Energy: 0.24157899855963863
Energy: 0.29752382357884916
Energy: 0.24654978873855019
Energy: 0.2975484951859928
Energy: 0.26920001977180424
Energy: 0.2864379597161951
Energy: 0.24654978873892713
Energy: 0.2975484951863698
Energy: 0.26920001977105024
Energy: 0.3042353277560534
Energy: 0.27288037888179667
Energy: 0.26639928900447263
Energy: 0.2838969579883897
Energy: 0.30423532775492246
Energy: 0.272880378877273
Energy: 0.26639928900711146
Energy: 0.24661802416593182
Energy: 0.29035109977171464
Energy: 0.33260349136714873
Energy: 0.2981475179787123
Energy: 0.2466180241663088
Energy: 0.2903510997690758
Energy: 0.33260349136827966
Energy: 0.30365415364335574
Energy: 0.2724584183821328
Energy: 0.3107215773823913
Energy: 0.28376141065361865
Energy: 0.3036541536486334
Energy: 0.2724584183810019
Energy: 0.31072157738276823
Energy: 0.27688889099163744
Energy: 0.2617369939925267
Energy: 0.3376942884942934
Energy: 0.26172638289173905
Energy: 0.2768888909901295
Energy: 0.2617369939940346
Energy: 0.3376942884916546
Energy: 0.30379259966630123
Energy: 0.2837043918220955
Energy: 0.29908632110699795
Energy: 0.27246300539243484
Energy: 0.3037925996648276
Energy: 0.28370439182586527
Energy: 0.2962264782637989
Energy: 0.24662659260815417
Energy: 0.29824319079323947
Energy: 0.3325634719835348
Energy: 0.29032947345964666
Energy: 0.24662659260815417
Energy: 0.29824319079700917
Energy: 0.33256347198655056
Energy: 0.27432759319309047
Energy: 0.2837982669890942
Energy: 0.3191014378824254
Energy: 0.2730002691725173
Energy: 0.2743275931927135
Energy: 0.2837982669906021
Energy: 0.31027461455714755
Energy: 0.24663073124918525
Energy: 0.28648267427460855
Energy: 0.2692104267407422
Energy: 0.29780374462415904
Energy: 0.24663073125107013
Energy: 0.2864826742738546
Energy: 0.26921042673549883
Energy: 0.26600255167671155
Energy: 0.28774008519438676
Energy: 0.3209897041217513
Energy: 0.24154152023295472
Energy: 0.26600255167671155
Energy: 0.28774008519589467
Energy: 0.29541783170162983
Energy: 0.24671079331052678
Energy: 0.286653782632619
Energy: 0.26914675621012335
Energy: 0.2906699904009494
Energy: 0.24671079330977283
Energy: 0.28665378263073404
Energy: 0.26914675621427003
Energy: 0.2664830288249034
Energy: 0.28552315355225755
Energy: 0.3240086937607022
Energy: 0.28547644500720354
Energy: 0.26648302882528035
Energy: 0.2855231535484878
Energy: 0.32400869376183317
Energy: 0.24667486152328685
Energy: 0.2907260966662678
Energy: 0.2691500098655473
Energy: 0.28672074453758717
Energy: 0.2466748615236638
Energy: 0.2907260966670218
Energy: 0.2691500098610236
Energy: 0.2660914117754747
Energy: 0.24157899855813075
Energy: 0.29752382357960316
Energy: 0.28778911066188967
Energy: 0.26609141177434376
Energy: 0.24157899855963863
Energy: 0.29752382358035706
Energy: 0.24654978873855019
Energy: 0.2975484951859928
Energy: 0.26920001977180424
Energy: 0.2864379597165722
Energy: 0.24654978873892713
Energy: 0.2975484951863698
Energy: 0.2692000197706733
Energy: 0.3042353277552995
Energy: 0.27288037888141964
Energy: 0.26639928900522664
Energy: 0.28389695798876663
Energy: 0.30423532775492246
Energy: 0.27288037887689603
Energy: 0.2663992890063575
Energy: 0.24661802416668574
Energy: 0.2903510997724686
Energy: 0.33260349136714873
Energy: 0.29814751797833533
Energy: 0.24661802416668574
Energy: 0.2903510997694528
Energy: 0.33260349136903355
Energy: 0.30365415364410975
Energy: 0.2724584183825098
Energy: 0.3107215773835222
Energy: 0.2837614106528647
Energy: 0.3036541536486334
Energy: 0.27245841837987095
Energy: 0.3107215773835222
Energy: 0.27688889099239133
Energy: 0.2617369939921498
Energy: 0.3376942884939164
Energy: 0.2617263828913621
Energy: 0.2768888909901295
Energy: 0.2617369939940346
Energy: 0.33769428849203154
Energy: 0.3037925996655473
Energy: 0.2837043918213416
Energy: 0.288892473288168
Energy: 0.27246300539281176
Energy: 0.3037925996644506
Energy: 0.28370439182473434
Energy: 0.296226478261914
Energy: 0.2466265926089081
Energy: 0.29824319079361644
Energy: 0.3325634719846658
Energy: 0.2903294734592697
Energy: 0.24662659260853112
Energy: 0.29824319079700917
Energy: 0.33256347198655056
Energy: 0.27432759319233657
Energy: 0.28379826698947125
Energy: 0.3160544118936745
Energy: 0.2730002691721403
Energy: 0.2743275931927135
Energy: 0.28379826699022515
Energy: 0.31605441188877387
Energy: 0.2466307312499392
Energy: 0.28648267427423163
Energy: 0.2692104267407422
Energy: 0.29780374462415904
Energy: 0.24663073125182408
Energy: 0.28648267427272367
Energy: 0.26921042673625284
Energy: 0.2660025516763346
Energy: 0.28774008519363276
Energy: 0.2954178317038917
Energy: 0.24154152023257774
Energy: 0.2660025516763346
Energy: 0.28774008519514066
Energy: 0.2954178317035146
Energy: 0.2467107933112807
Energy: 0.28665378263299596
Energy: 0.2691467562093694
Energy: 0.29066999040019537
Energy: 0.24671079330977283
Energy: 0.2866537826311111
Energy: 0.2691467562138931
Energy: 0.2664830288249034
Energy: 0.28552315355112656
Energy: 0.32400869375994823
Energy: 0.2854764450075805
Energy: 0.2664830288249034
Energy: 0.2855231535481108
Energy: 0.32400869376183317
Energy: 0.24667486152290985
Energy: 0.29072609666664484
Energy: 0.26915000986517035
Energy: 0.28672074453607926
Energy: 0.24667486152328685
Energy: 0.29072609666664484
Energy: 0.2691500098606467

minimum gb energy = 0.24154152023257774 eV
minimum distance =  2.61439945023691 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.2693177745335431
Energy: 0.2723484817405223
Energy: 0.2873319072435184
Energy: 0.26400459230111295
Energy: 0.26931777453445843
Energy: 0.2723484817400647
Energy: 0.27183958484273674
Energy: 0.2797628521633789
Energy: 0.260079548873517
Energy: 0.27493744784587587
Energy: 0.25685347839431527
Energy: 0.27976285216292124
Energy: 0.2600795488744323
Energy: 0.2749374478431301
Energy: 0.26919398095491803
Energy: 0.25300118573227354
Energy: 0.2518851146509738
Energy: 0.2664138520602202
Energy: 0.26919398095629093
Energy: 0.25300118573227354
Energy: 0.2518851146514315
Energy: 0.26352801427493033
Energy: 0.2558759964327429
Energy: 0.29195244175653146
Energy: 0.2573512067313388
Energy: 0.26352801427721845
Energy: 0.2558759964359255
Energy: 0.29195244175744667
Energy: 0.25788888129288295
Energy: 0.24772251020669547
Energy: 0.27760547611999475
Energy: 0.2792932064917975
Energy: 0.25788888129334053
Energy: 0.2477225102053226
Energy: 0.27760547611999475
Energy: 0.2708683042893473
Energy: 0.25994615522573683
Energy: 0.30162405542514503
Energy: 0.2546483630899128
Energy: 0.270868304288432
Energy: 0.25994615522710973
Energy: 0.3016240554246874
Energy: 0.27282806113877983
Energy: 0.2555890257870644
Energy: 0.2761551523054713
Energy: 0.26611886259534423
Energy: 0.2728280611369493
Energy: 0.25558902578431864
Energy: 0.2761551523050137
Energy: 0.2638717657048273
Energy: 0.27849787441259966
Energy: 0.28863350742305105
Energy: 0.2562619750628051
Energy: 0.2638717657062002
Energy: 0.278497874412142
Energy: 0.28863350742213584
Energy: 0.27390311483328306
Energy: 0.25222489670378906
Energy: 0.2769713448171506
Energy: 0.2733308891078963
Energy: 0.27390311483191015
Energy: 0.25222489670470427
Energy: 0.27697134481669294
Energy: 0.27153775152206866
Energy: 0.27160881702748346
Energy: 0.2595840727498208
Energy: 0.26522122689212335
Energy: 0.2715377515225263
Energy: 0.27160881702611056
Energy: 0.2595840727502784
Energy: 0.2706311508041292
Energy: 0.2674481509883348
Energy: 0.28667313525584603
Energy: 0.27311883910546564
Energy: 0.2706311508045868
Energy: 0.2674481509883348
Energy: 0.28667313525538834
Energy: 0.2456322095052048
Energy: 0.27740739574032497
Energy: 0.25508870714782333
Energy: 0.25033714443405397
Energy: 0.24563220950428954
Energy: 0.27740739573940976
Energy: 0.2550887071469081
Energy: 0.2722454046067511
Energy: 0.26785712038381276
Energy: 0.29104441853452595
Energy: 0.25425173932129436
Energy: 0.27224540460766633
Energy: 0.26785712038381276
Energy: 0.29104441853589874
Energy: 0.24681892976484238
Energy: 0.26849441254803863
Energy: 0.2749217292978388
Energy: 0.24756994423573844
Energy: 0.2468189297653
Energy: 0.26849441254895384
Energy: 0.2749217292964659
Energy: 0.2805316313619388
Energy: 0.25558635573632443
Energy: 0.25963330686126856
Energy: 0.2598895165755484
Energy: 0.2805316313637485
Energy: 0.25558635573083294
Energy: 0.259633306860811
Energy: 0.238520189660445
Energy: 0.27048817979059153
Energy: 0.2724292630945055
Energy: 0.2618066497487471
Energy: 0.2385201896586145
Energy: 0.27048817979013384
Energy: 0.2724292630949631
Energy: 0.2775903749564363
Energy: 0.2542835799290785
Energy: 0.31096460840618334
Energy: 0.2590579665120343
Energy: 0.2775903749550634
Energy: 0.2542835799304514
Energy: 0.31096460840618334
Energy: 0.240462840680392
Energy: 0.2522946997988451
Energy: 0.27629361098880234
Energy: 0.2616281026405303
Energy: 0.240462840680392
Energy: 0.252294699796557
Energy: 0.2762936109883447
Energy: 0.2701016171048411
Energy: 0.2641534210162593
Energy: 0.29692643258684354
Energy: 0.2565501581337588
Energy: 0.2701016171030106
Energy: 0.26415342101671696
Energy: 0.29692643258547063
Energy: 0.24006518382454625
Energy: 0.26591800083294886
Energy: 0.2781722329188935
Energy: 0.26590273742912096
Energy: 0.2400651838263767
Energy: 0.26591800083432177
Energy: 0.2781722329188935
Energy: 0.2701512503831004
Energy: 0.2565769680207192
Energy: 0.29700800677531214
Energy: 0.25931632706364405
Energy: 0.2701512503831004
Energy: 0.2565769680216345
Energy: 0.29700800677256634
Energy: 0.2404363277342453
Energy: 0.2616339869279198
Energy: 0.2727556176777733
Energy: 0.25225565742376405
Energy: 0.24043632773333
Energy: 0.2616339869311232
Energy: 0.2727556176777733
Energy: 0.27759017001592345
Energy: 0.25926600931633853
Energy: 0.2982883665090324
Energy: 0.25460109315072227
Energy: 0.2775901700163811
Energy: 0.25926600931679616
Energy: 0.2982883665090324
Energy: 0.23852638165276419
Energy: 0.26200706726376116
Energy: 0.2724206252380261
Energy: 0.2706338165254052
Energy: 0.23852638165367945
Energy: 0.26200706726376116
Energy: 0.2724206252371109
Energy: 0.28059644337713613
Energy: 0.2598320916347125
Energy: 0.31866273975680315
Energy: 0.2554283421023952
Energy: 0.28059644337759376
Energy: 0.2598320916333396
Energy: 0.31866273975634557

minimum gb energy = 0.2385201896586145 eV
minimum distance =  2.53664098962054 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.2719742339680037
Energy: 0.3095750692774704
Energy: 0.31893619233074
Energy: 0.315847977839536
Energy: 0.2719742339697682
Energy: 0.30957506927798123
Energy: 0.32091536889438316
Energy: 0.29730902175135826
Energy: 0.29443270997541526
Energy: 0.3444356222325265
Energy: 0.2964178458971026
Energy: 0.29730902175135826
Energy: 0.29443270997620474
Energy: 0.34443562222946167
Energy: 0.2906675220193201
Energy: 0.2942186214301867
Energy: 0.3159579917237997
Energy: 0.3012107162721978
Energy: 0.2906675220162553
Energy: 0.29421862142484645
Energy: 0.31595799171892386
Energy: 0.26436174834887377
Energy: 0.2996774315684049
Energy: 0.3289414075172519
Energy: 0.2944995964949701
Energy: 0.2643617483524494
Energy: 0.2996774315730021
Energy: 0.32894140751469797
Energy: 0.2932997460394407
Energy: 0.266962636139627
Energy: 0.32230301663297684
Energy: 0.27800266872019086
Energy: 0.29329974603484343
Energy: 0.266962636142181
Energy: 0.3223030166304228
Energy: 0.2648284213858008
Energy: 0.2813614079723843
Energy: 0.32509310207374836
Energy: 0.2851946850816524
Energy: 0.2648284213845005
Energy: 0.2813614079731273
Energy: 0.32509310207885644
Energy: 0.26885054891137355
Energy: 0.26971847726343773
Energy: 0.3152233767599009
Energy: 0.26856635759745123
Energy: 0.2688505489144384
Energy: 0.2697184772682672
Energy: 0.3152233767621763
Energy: 0.26360599087569275
Energy: 0.2739810139877377
Energy: 0.33758446597071895
Energy: 0.28352990810357115
Energy: 0.26360599087773595
Energy: 0.2739810139908025
Energy: 0.3375844659668647
Energy: 0.2722858275136201
Energy: 0.28387868349193063
Energy: 0.30524791748853886
Energy: 0.27062498229928417
Energy: 0.2722858275131093
Energy: 0.283878683496017
Energy: 0.3052479174831523
Energy: 0.2634667509581973
Energy: 0.28241380975416286
Energy: 0.3345548603272974
Energy: 0.2814300328241766
Energy: 0.26346675095768657
Energy: 0.2824138097508194
Energy: 0.33455486033672405
Energy: 0.27103742972687794
Energy: 0.28402240658613864
Energy: 0.3420241976426033
Energy: 0.2719263453612792
Energy: 0.2710374297240918
Energy: 0.2840224065897142
Energy: 0.3420241976436249
Energy: 0.2636321613824153
Energy: 0.27359993015504663
Energy: 0.3410391589846014
Energy: 0.28568901368258115
Energy: 0.26363216137883966
Energy: 0.27359993014868483
Energy: 0.34103915899277426
Energy: 0.2665927726586334
Energy: 0.2766369996213854
Energy: 0.3302848175019722
Energy: 0.27323628890811147
Energy: 0.26659277266044445
Energy: 0.2766369996208746
Energy: 0.3302848174989074
Energy: 0.27007656884398573
Energy: 0.28780623592213284
Energy: 0.33251105711484336
Energy: 0.29129758674641815
Energy: 0.27007656884500736
Energy: 0.2878062359213434
Energy: 0.3325110571283564
Energy: 0.26373621604980224
Energy: 0.2900333815313528
Energy: 0.36685152715800784
Energy: 0.2820389453901349
Energy: 0.26373621606080777
Energy: 0.29003338153646074
Energy: 0.36685152715800784
Energy: 0.27548524426210386
Energy: 0.27379571123313334
Energy: 0.3301800909594237
Energy: 0.27862862915174874
Energy: 0.27548524426136084
Energy: 0.2737957112305794
Energy: 0.33018009095176165
Energy: 0.2788712000508461
Energy: 0.2801783562319065
Energy: 0.3638960964777218
Energy: 0.27354180668230094
Energy: 0.2788712000528893
Energy: 0.28017835623678233
Energy: 0.36389609647670024
Energy: 0.2648636437238858
Energy: 0.27362394046427485
Energy: 0.3242020787781418
Energy: 0.27665830516152407
Energy: 0.26486364373331245
Energy: 0.27362394046376404
Energy: 0.32420207877512336
Energy: 0.2621167719832595
Energy: 0.28445978690457663
Energy: 0.34750332802219136
Energy: 0.2741352464267816
Energy: 0.26211677197736205
Energy: 0.28445978690025797
Energy: 0.3475033280242345
Energy: 0.27980831608727785
Energy: 0.2768656668235225
Energy: 0.3008070490349417
Energy: 0.2688743236404679
Energy: 0.2798083160818912
Energy: 0.27686566682147923
Energy: 0.3008070490395389
Energy: 0.26223249987116903
Energy: 0.2749299896126581
Energy: 0.34134045113557016
Energy: 0.2788067052738998
Energy: 0.262232499868615
Energy: 0.27492998960931464
Energy: 0.34134045113454853
Energy: 0.2692197926333357
Energy: 0.281424340612043
Energy: 0.2795473647157069
Energy: 0.27728287161934007
Energy: 0.2692197926376543
Energy: 0.2814243406079566
Energy: 0.27954736471928254
Energy: 0.26370341553905197
Energy: 0.27224490887711567
Energy: 0.294681677669276
Energy: 0.2931660352715992
Energy: 0.2637034155464818
Energy: 0.27224490888631003
Energy: 0.2946816776682544
Energy: 0.278361377017984
Energy: 0.2873131816680077
Energy: 0.31787845435004014
Energy: 0.26905172814485573
Energy: 0.2783613770205381
Energy: 0.28731318166647524
Energy: 0.3178784543490185
Energy: 0.2579350938164307
Energy: 0.28064413914174524
Energy: 0.2808838888132338
Energy: 0.3070817275322173
Energy: 0.2579350938212601
Energy: 0.2806441391450422
Energy: 0.2808838888144876
Energy: 0.2732342787216586
Energy: 0.2874347936760484
Energy: 0.3371398269178005
Energy: 0.2812591877056536
Energy: 0.2732342787229588
Energy: 0.287434793666854
Energy: 0.3371398269178005
Energy: 0.2917337159487293
Energy: 0.28633577521481385
Energy: 0.29680624578771725
Energy: 0.3023590388953779
Energy: 0.29173371594566455
Energy: 0.28633577521277065
Energy: 0.3349915544693397
Energy: 0.2716926333874374
Energy: 0.2764811615572711
Energy: 0.32336964827809667
Energy: 0.307233513909893
Energy: 0.2716926333940778
Energy: 0.27648116155959296
Energy: 0.3233696482750319
Energy: 0.2873255761635102
Energy: 0.28663505882560186
Energy: 0.3287776952845031
Energy: 0.3069527428987985
Energy: 0.28732557616072396
Energy: 0.2866350588240694
Energy: 0.328777695284271
Energy: 0.2700526041227771
Energy: 0.28597128042232905
Energy: 0.3282072444853653
Energy: 0.28808891536179676
Energy: 0.2700526041220341
Energy: 0.2859712804287373
Energy: 0.3282072444861083
Energy: 0.2645442837829217
Energy: 0.2880361704045764
Energy: 0.33418954683402435
Energy: 0.3073288275716728
Energy: 0.26454428378366474
Energy: 0.28803617040736257
Energy: 0.3341895468311917
Energy: 0.26806677973894283
Energy: 0.27432350944009043
Energy: 0.32108101552953033
Energy: 0.28219183093820577
Energy: 0.26806677974456167
Energy: 0.2743235094421337
Energy: 0.3210810155292517
Energy: 0.26454198845064497
Energy: 0.2758940806051003
Energy: 0.32704843596070593
Energy: 0.2933300593798967
Energy: 0.2645419884554744
Energy: 0.2758940806073757
Energy: 0.3270484359668355
Energy: 0.26332323873987223
Energy: 0.27709400759672564
Energy: 0.30231787291308576
Energy: 0.26994254294575803
Energy: 0.263323238740383
Energy: 0.2770940075951932
Energy: 0.30231787291842593
Energy: 0.25898620835757336
Energy: 0.2755051906534336
Energy: 0.3385791824038263
Energy: 0.2915657332281768
Energy: 0.25898620835297614
Energy: 0.2755051906564984
Energy: 0.3385791824050801
Energy: 0.2636496923913065
Energy: 0.2725366559881939
Energy: 0.29678439288277264
Energy: 0.2639782551214249
Energy: 0.2636496923885202
Energy: 0.2725366559912587
Energy: 0.29678439288277264
Energy: 0.2623512810504059
Energy: 0.2718026381921288
Energy: 0.3378928793490303
Energy: 0.2904729758519447
Energy: 0.26235128104757327
Energy: 0.2718026381885532
Energy: 0.33789287934954115
Energy: 0.26593552268321147
Energy: 0.2757616953083986
Energy: 0.3192800100610165
Energy: 0.27438035621002266
Energy: 0.2659355226857655
Energy: 0.27576169530993105
Energy: 0.319280010056187
Energy: 0.26115122227951043
Energy: 0.29192714802877184
Energy: 0.33518610839423596
Energy: 0.29673968420044305
Energy: 0.2611512222767242
Energy: 0.2919271480272394
Energy: 0.33518610839576835
Energy: 0.26517195698975
Energy: 0.2856233761353588
Energy: 0.3220868755096497
Energy: 0.2777337703483267
Energy: 0.26517195699258267
Energy: 0.2856233761292293
Energy: 0.3220868755181011
Energy: 0.2787564165861234
Energy: 0.29591782854273474
Energy: 0.3338995673169595
Energy: 0.28892335836214006
Energy: 0.2787564165823156
Energy: 0.2959178285496073
Energy: 0.3338995673164488
Energy: 0.2651244546395452
Energy: 0.28177898639464966
Energy: 0.36004574262046557
Energy: 0.28222050863192616
Energy: 0.26512445463648043
Energy: 0.28177898639237425
Energy: 0.36004574262125494
Energy: 0.28457079099415195
Energy: 0.2961750127938365
Energy: 0.3299786171938777
Energy: 0.28292159960528257
Energy: 0.2845707909987492
Energy: 0.2961750127974121
Energy: 0.329978617195921
Energy: 0.264270896407567
Energy: 0.279364251332422
Energy: 0.3316058792709397
Energy: 0.2754417517476325
Energy: 0.2642708964047808
Energy: 0.27936425133753
Energy: 0.33160587926685325
Energy: 0.2627226205616726
Energy: 0.2961602900398724
Energy: 0.3249195797193075
Energy: 0.2854900787240013
Energy: 0.2627226205637158
Energy: 0.29616029004214783
Energy: 0.3249195797170321

minimum gb energy = 0.2579350938164307 eV
minimum distance =  2.54449159459887 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.2439250442926074
Energy: 0.24394334301061887
Energy: 0.33410138457469474
Energy: 0.243943343010043
Energy: 0.2439250442914557
Energy: 0.243943343010043
Energy: 0.27217055822270003
Energy: 0.2439250442931832
Energy: 0.243943343010043
Energy: 0.3468727648599498
Energy: 0.243943343010043
Energy: 0.24392504429375905
Energy: 0.2439433430111947
Energy: 0.2721705599252601
Energy: 0.2439250442926074
Energy: 0.24394334301061887
Energy: 0.3341013845752706
Energy: 0.2439433430111947
Energy: 0.2439250442926074
Energy: 0.243943343010043
Energy: 0.313764065342386
Energy: 0.2439250442931832
Energy: 0.24394334301061887
Energy: 0.3142332523026056
Energy: 0.243943343010043
Energy: 0.24392504429203152
Energy: 0.243943343010043
Energy: 0.27217055788599376
Energy: 0.2439250442926074
Energy: 0.243943343010043
Energy: 0.334101384574119
Energy: 0.24394334301061887
Energy: 0.2439250442931832
Energy: 0.24394334301061887
Energy: 0.2721705578174956
Energy: 0.2439250442926074
Energy: 0.24394334301061887
Energy: 0.3142332523031815
Energy: 0.2439433430111947
Energy: 0.2439250442931832
Energy: 0.243943343010043
Energy: 0.291715706880277
Energy: 0.2439250442926074
Energy: 0.24394334301061887
Energy: 0.2984425252606918
Energy: 0.243943343010043
Energy: 0.24392504429087986
Energy: 0.243943343010043
Energy: 0.27217056392092503
Energy: 0.2439250442926074
Energy: 0.24394334300946718
Energy: 0.3142332523026056
Energy: 0.243943343010043
Energy: 0.24392504429375905
Energy: 0.2439433430111947
Energy: 0.2721705576828026
Energy: 0.24392504429203152
Energy: 0.24394334301061887
Energy: 0.29844252526011594
Energy: 0.2439433430111947
Energy: 0.2439250442931832
Energy: 0.243943343010043
Energy: 0.26809858008218285
Energy: 0.2439250442931832
Energy: 0.24394334301061887
Energy: 0.27217055873150237
Energy: 0.243943343010043
Energy: 0.24392504429203152
Energy: 0.243943343010043
Energy: 0.27217056219533153
Energy: 0.2439250442926074
Energy: 0.243943343010043
Energy: 0.2984425252612676
Energy: 0.243943343010043
Energy: 0.2439250442931832
Energy: 0.2439433430111947
Energy: 0.27217060996611003
Energy: 0.2439250442931832
Energy: 0.2439433430111947
Energy: 0.2721705598302997
Energy: 0.2439433430111947
Energy: 0.24392504429375905
Energy: 0.24394334300946718
Energy: 0.2814929772999554
Energy: 0.2439250442931832
Energy: 0.24394334301061887
Energy: 0.272170592888684
Energy: 0.243943343010043
Energy: 0.2439250442914557
Energy: 0.243943343010043
Energy: 0.2721705582365201
Energy: 0.2439250442926074
Energy: 0.24394334300946718
Energy: 0.27217056320086985
Energy: 0.243943343010043
Energy: 0.24392504429375905
Energy: 0.24394334301061887
Energy: 0.27217059660577575
Energy: 0.24392504429203152
Energy: 0.24394334301061887
Energy: 0.27217056861937
Energy: 0.2439433430111947
Energy: 0.2439250442931832
Energy: 0.243943343010043
Energy: 0.27217062969695643
Energy: 0.2439250442931832
Energy: 0.24394334301061887
Energy: 0.27217056043406246
Energy: 0.243943343010043
Energy: 0.24392504429203152
Energy: 0.243943343010043
Energy: 0.2721705794868896
Energy: 0.24392504429203152
Energy: 0.243943343010043
Energy: 0.2721705610597331
Energy: 0.24394334301061887
Energy: 0.2439250442931832
Energy: 0.24394334301061887
Energy: 0.2721705589893716
Energy: 0.2439250442931832
Energy: 0.24394334301061887
Energy: 0.2721705680760438
Energy: 0.24394334301061887
Energy: 0.24392504429375905
Energy: 0.243943343010043
Energy: 0.27217055916665017
Energy: 0.2439250442926074
Energy: 0.24394334301061887
Energy: 0.2721705902364154
Energy: 0.243943343010043
Energy: 0.24392504429087986
Energy: 0.243943343010043
Energy: 0.2721705578715979
Energy: 0.2439250442931832
Energy: 0.24394334300946718
Energy: 0.27217064116881456
Energy: 0.243943343010043
Energy: 0.24392504429375905
Energy: 0.24394334301061887
Energy: 0.27217056325384664

minimum gb energy = 0.24392504429087986 eV
minimum distance =  2.65118077394755 Angstroms
sigma value = 23