Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640520251
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.017406880207712083
Energy: 0.017636479541037087
Energy: 9.152389253916432
Energy: 0.017636479541037087
Energy: 0.017636479541037087
Energy: 0.01828860921225639
Energy: 1.4263169614619071
Energy: 0.01828860921225639
Energy: 9.095785405156864
Energy: 1.4263169614619071
Energy: 1.4262789443624444
Energy: 1.4263169614626892
Energy: 0.017636479541037087
Energy: 0.01828860921225639
Energy: 1.4263169614619071
Energy: 0.01828860921225639

minimum gb energy = 0.017406880207712083 eV
minimum distance =  2.71936009097308 Angstroms
sigma value = 1


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

Energy: 2.097133973488441
Energy: 1.8365188994677644
Energy: 11.279403820511195
Energy: 1.8365188994687682
Energy: 2.2123837582065824
Energy: 1.6886355208350579
Energy: 1.5890429332718639
Energy: 1.6886355208340538
Energy: 2.465996344775157
Energy: 1.5210985525571823
Energy: 1.470445560175721
Energy: 1.5210985525571823
Energy: 1.9809144471411058
Energy: 1.7353067772790056
Energy: 1.520873496151039
Energy: 1.7353067772790056
Energy: 1.9986785966295078
Energy: 1.7375528224323356
Energy: 2.0444598061625165
Energy: 1.7375528224333396
Energy: 2.16916044853609
Energy: 1.677111119586394
Energy: 1.4552578770081315
Energy: 1.677111119586394
Energy: 1.7046132134549377
Energy: 1.7273621060555955
Energy: 1.4551484040314273
Energy: 1.7273621060565996
Energy: 1.4582002550855757
Energy: 1.6171169273256008
Energy: 2.003415158668789
Energy: 1.6171169273256008
Energy: 1.7039370161088359
Energy: 1.7256775599481677
Energy: 1.934740427878673
Energy: 1.7256775599481677
Energy: 2.289477694962805
Energy: 1.7632416005088523
Energy: 1.7257749665447149
Energy: 1.7632416005088523
Energy: 1.4754221391108708
Energy: 1.735005080584644
Energy: 1.8405426410815486
Energy: 1.7350050805856478
Energy: 1.4756246199308571
Energy: 1.4753836856112859
Energy: 2.757069942809502
Energy: 1.475383685610282
Energy: 1.8232175751773774
Energy: 1.7404288762863815
Energy: 1.9984511333585895
Energy: 1.7404288762863815
Energy: 7.205147692258344
Energy: 1.734423367560807
Energy: 2.0089026827515823
Energy: 1.734423367559803
Energy: 1.510765357601126
Energy: 1.6796614445137281
Energy: 2.163515184729724
Energy: 1.679661444512724
Energy: 1.5106717507357308
Energy: 1.6799232834583697
Energy: 2.1713485811393145
Energy: 1.6799232834573659
Energy: 7.724462692437393
Energy: 1.7339613303462014
Energy: 2.011530466341166
Energy: 1.7339613303472052
Energy: 1.8245085114614557
Energy: 1.7365658405238766
Energy: 2.004215933491311
Energy: 1.7365658405228723
Energy: 1.481377238017638
Energy: 1.4753156906093523
Energy: 2.8832969428949244
Energy: 1.475315690607344
Energy: 1.4755672796724963
Energy: 1.736227446506188
Energy: 1.7252041146229706
Energy: 1.7362274465071919
Energy: 2.3197768136652344
Energy: 1.7222805649911435
Energy: 1.712802692927
Energy: 1.7222805649891353
Energy: 1.714534729831546
Energy: 1.684665209782976
Energy: 1.9347756382125805
Energy: 1.684665209781972
Energy: 1.593708414978576
Energy: 1.6151654003817808
Energy: 1.7577618802748807
Energy: 1.6151654003817808
Energy: 1.9566341614502338
Energy: 1.7216580625943754
Energy: 1.4547963846412195
Energy: 1.7216580625933715
Energy: 2.1693562868010514
Energy: 1.676764254682872
Energy: 1.4551120609585022
Energy: 1.6767642546818682
Energy: 1.9983032774753127
Energy: 1.7339548216058123
Energy: 7.768023254465815
Energy: 1.7339548216068161
Energy: 1.9840786663144891
Energy: 1.7341655140632535
Energy: 1.5211957818198274
Energy: 1.7341655140632535
Energy: 2.466997086287214
Energy: 1.5209984165967878
Energy: 1.4713537518782864
Energy: 1.5209984165977917
Energy: 2.2100997136946137
Energy: 1.6877680219387134
Energy: 1.589372658811503
Energy: 1.6877680219387134
Energy: 2.0767244242015916
Energy: 1.7722289417330774
Energy: 13.474570524849753
Energy: 1.7722289417340813
Energy: 2.1826525971806023
Energy: 1.6882284575096285
Energy: 1.5890006839249349
Energy: 1.6882284575096285
Energy: 2.1690525616044543
Energy: 1.6343979762879595
Energy: 1.472103259866271
Energy: 1.6343979762879595
Energy: 1.9985384341670087
Energy: 1.737368692968139
Energy: 1.5212312556913647
Energy: 1.737368692968139

minimum gb energy = 1.4547963846412195 eV
minimum distance =  2.47517075640985 Angstroms
sigma value = 1


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

Energy: 2.2041260288612836
Energy: 1.850760662224386
Energy: 9.384205165245838
Energy: 1.850760662223241
Energy: 2.0426331158033553
Energy: 1.7936384592797419
Energy: 1.834098436570436
Energy: 1.7936384592797419
Energy: 2.064288182971031
Energy: 1.5356489345814957
Energy: 1.5352510967584139
Energy: 1.5356489345826403
Energy: 1.494590630318571
Energy: 1.7968289677943499
Energy: 1.672706348753681
Energy: 1.7968289677943499
Energy: 1.4947343301814666
Energy: 1.7961629227352485
Energy: 2.322648766971347
Energy: 1.7961629227352485
Energy: 2.064131440646277
Energy: 1.512032425870131
Energy: 1.5113537620810824
Energy: 1.512032425870131
Energy: 1.512498521693182
Energy: 1.7926656000529113
Energy: 1.511281662823467
Energy: 1.7926656000529113
Energy: 1.511447036411607
Energy: 1.5116686900138616
Energy: 2.2310303101547286
Energy: 1.5116686900115721
Energy: 1.5120456371423163
Energy: 1.6637991199400273
Energy: 2.067438296536105
Energy: 1.6637991199388826
Energy: 14.066799556124144
Energy: 1.4949857464184004
Energy: 1.4946828401123147
Energy: 1.4949857464172558
Energy: 1.5354394472872612
Energy: 1.7906915094438123
Energy: 2.0675292988865475
Energy: 1.7906915094438123
Energy: 1.6272414879082344
Energy: 1.6709940117345543
Energy: 2.657205826846769
Energy: 1.6709940117356992
Energy: 13.884864410495533
Energy: 1.7966881107905006
Energy: 2.1368059711843155
Energy: 1.7966881107905006
Energy: 13.917498342837767
Energy: 1.7967045493312848
Energy: 2.1377582188620674
Energy: 1.7967045493312848
Energy: 1.626917791195012
Energy: 1.6709817280335064
Energy: 2.65628191387759
Energy: 1.670981728034651
Energy: 1.5354020308478071
Energy: 1.7906425598838183
Energy: 2.0675396280457536
Energy: 1.7906425598826736
Energy: 14.066211407131414
Energy: 1.4949714994700198
Energy: 1.4946867949446672
Energy: 1.4949714994700198
Energy: 1.5122670228059356
Energy: 1.6637050665941584
Energy: 2.0676700246426085
Energy: 1.6637050665930135
Energy: 1.511438088097953
Energy: 1.5115931678318388
Energy: 2.2310303101398468
Energy: 1.5115931678318388
Energy: 1.5123199638900686
Energy: 1.7926167966217508
Energy: 1.5114091838982393
Energy: 1.7926167966217508
Energy: 2.063653526068021
Energy: 1.5122327926053525
Energy: 1.511591502340285
Energy: 1.5122327926053525
Energy: 1.4946980687290337
Energy: 1.7909205346684327
Energy: 2.3226487669976765
Energy: 1.7909205346695773
Energy: 1.4946135379069017
Energy: 1.796555395432938
Energy: 1.6727063487525362
Energy: 1.7965553954317934
Energy: 2.0641763058826204
Energy: 1.5356343698195984
Energy: 1.5353287577812622
Energy: 1.5356343698207433
Energy: 2.042697379023726
Energy: 1.7939005187179087
Energy: 1.834098436571581
Energy: 1.7939005187179087
Energy: 2.2041260288624285
Energy: 1.850760662224386
Energy: 9.27475756162727
Energy: 1.850760662223241
Energy: 2.042633115805645
Energy: 1.793638459278597
Energy: 1.834098436570436
Energy: 1.7936384592797419
Energy: 2.0642881829698867
Energy: 1.5356489345814957
Energy: 1.535251096757269
Energy: 1.5356489345814957
Energy: 1.4945906303197158
Energy: 1.7968289677943499
Energy: 1.6727063487525362
Energy: 1.7968289677943499

minimum gb energy = 1.494590630318571 eV
minimum distance =  2.48269408400631 Angstroms
sigma value = 25


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

Energy: 2.0366930696510726
Energy: 2.03672619177925
Energy: 6.972527183922281
Energy: 2.036726191780581
Energy: 2.2686806561673722
Energy: 1.7698264716630416
Energy: 1.7985536391474108
Energy: 1.7698264716630416
Energy: 2.265971531592326
Energy: 1.6334559066366374
Energy: 1.6067457780161387
Energy: 1.6334559066366374
Energy: 1.9723812086516137
Energy: 1.8024099613476205
Energy: 1.7990534607246498
Energy: 1.8024099613489513
Energy: 1.9528950984273077
Energy: 1.8024932534201028
Energy: 1.9986891453153384
Energy: 1.8024932534214335
Energy: 2.2484498236778707
Energy: 1.5790983884280247
Energy: 1.5788891871228925
Energy: 1.5790983884280247
Energy: 1.617051517166672
Energy: 1.9213710336124612
Energy: 1.5789901098595738
Energy: 1.9213710336124612
Energy: 1.5759869423742734
Energy: 1.6169519578524638
Energy: 2.634814935732599
Energy: 1.616951957851133
Energy: 1.7207495464074223
Energy: 1.8652943641901036
Energy: 1.9646128076044667
Energy: 1.8652943641887727
Energy: 9.32923841228548
Energy: 1.912898134902866
Energy: 1.983983867387179
Energy: 1.9128981349161431
Energy: 1.6863856117056797
Energy: 1.8652223723645103
Energy: 2.226676209958215
Energy: 1.865222372365841
Energy: 1.6987787811989625
Energy: 1.617600758886044
Energy: 2.222597575268703
Energy: 1.617600758886044
Energy: 9.05194640323781
Energy: 1.826927422864529
Energy: 1.9668558755906373
Energy: 1.826927422864529
Energy: 1.7218724737851678
Energy: 1.8654488467868922
Energy: 1.955500958787027
Energy: 1.8654488467882229
Energy: 1.5847969137917297
Energy: 1.6174395851125274
Energy: 2.600969611728106
Energy: 1.6174395851125274
Energy: 1.6166817434028269
Energy: 1.8031634785514774
Energy: 1.5794352576910151
Energy: 1.8031634785514774
Energy: 2.6705340197812952
Energy: 1.5790600593534592
Energy: 1.5788441320276803
Energy: 1.57906005935479
Energy: 1.9286678518050286
Energy: 1.8027371130442509
Energy: 1.9977883104730312
Energy: 1.8027371130442509
Energy: 1.969969618377402
Energy: 1.8024285888155447
Energy: 1.7991088697817301
Energy: 1.802428588814214
Energy: 1.929768219208842
Energy: 1.5793670600704988
Energy: 1.6086514173077302
Energy: 1.5793670600704988
Energy: 2.2781139947061084
Energy: 1.770188146559496
Energy: 1.6340783478073577
Energy: 1.7701881465581655
Energy: 2.027281889119422
Energy: 1.9518803399410625
Energy: 8.308809828103842
Energy: 1.9518803399410625
Energy: 2.2655691521312575
Energy: 1.8958381918669496
Energy: 1.7993835776401554
Energy: 1.8958381918669496
Energy: 2.4090635036702697
Energy: 1.633482464235293
Energy: 1.6334552324003262
Energy: 1.6334824642339623
Energy: 1.9538947826402886
Energy: 1.8025328127147657
Energy: 1.6341184032186262
Energy: 1.8025328127147657

minimum gb energy = 1.5759869423742734 eV
minimum distance =  2.43198442839804 Angstroms
sigma value = 9


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

Energy: 1.6159811652672909
Energy: 1.616749450679001
Energy: 11.044392440790046
Energy: 1.616749450679001
Energy: 1.6155102843657259
Energy: 1.8345513791844252
Energy: 1.6209092035015242
Energy: 1.8345513791844252
Energy: 1.802683478412589
Energy: 1.6794685689013176
Energy: 1.8029592117128597
Energy: 1.6794685689013176
Energy: 1.620001497153133
Energy: 1.61999233554712
Energy: 1.6220725004088472
Energy: 1.61999233554712
Energy: 1.6204029662210069
Energy: 1.621249326038906
Energy: 1.801304068556225
Energy: 1.621249326038906
Energy: 2.813042716248844
Energy: 1.6201166762138
Energy: 1.6196242691154932
Energy: 1.6201166762138
Energy: 1.8027200026322001
Energy: 1.6213499556197992
Energy: 1.6203503575392562
Energy: 1.6213499556197992
Energy: 1.8025809998322564
Energy: 1.8014415903394192
Energy: 2.399979938737266
Energy: 1.8014415903410066
Energy: 17.427710505460293
Energy: 1.834757735103667
Energy: 1.6155742443187666
Energy: 1.834757735103667
Energy: 17.463408791993334
Energy: 1.6156547082623516
Energy: 1.6156258894464033
Energy: 1.615654708263939
Energy: 1.802682821341454
Energy: 1.834317793303555
Energy: 2.3995519399906327
Energy: 1.834317793303555
Energy: 1.6789577339032458
Energy: 1.8540987193743306
Energy: 1.6208256628494035
Energy: 1.8540987193743306
Energy: 2.8130528475831844
Energy: 1.6203387012606831
Energy: 1.6197586192009268
Energy: 1.6203387012606831
Energy: 1.6200669763728306
Energy: 1.7264301461651173
Energy: 1.6206049571050545
Energy: 1.7264301461651173
Energy: 1.619779036862172
Energy: 1.6202404087146374
Energy: 2.8130528475831844
Energy: 1.6202404087146374
Energy: 1.6201624205273801
Energy: 1.854391130526281
Energy: 1.679019152354027
Energy: 1.8543911305294203
Energy: 2.39960069435281
Energy: 1.8343818278982333
Energy: 1.8027110387386107
Energy: 1.8343818278982333
Energy: 1.6156585120168572
Energy: 1.6157212376311538
Energy: 17.453052945188567
Energy: 1.6157212376311538
Energy: 1.6155375323090138
Energy: 1.8352539953425706
Energy: 17.507157457591457
Energy: 1.8352539953425706
Energy: 2.400030703940026
Energy: 1.8014763595506338
Energy: 1.8028577578895963
Energy: 1.8014763595506338
Energy: 1.6204287902184709
Energy: 1.6212963607990079
Energy: 1.8026017796700635
Energy: 1.6212963607990079

minimum gb energy = 1.6155102843657259 eV
minimum distance =  2.48400291445485 Angstroms
sigma value = 25


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

Energy: 1.7800502130116636
Energy: 2.283391810786876
Energy: 8.52340648507024
Energy: 2.283391810786876
Energy: 2.2725403933526893
Energy: 1.8143005301073256
Energy: 1.8077736193980531
Energy: 1.8143005301073256
Energy: 2.0816553713805983
Energy: 1.745945751656257
Energy: 1.7490755767542823
Energy: 1.7459457516542938
Energy: 1.6784322816806836
Energy: 1.7616211275884448
Energy: 1.7454803302672075
Energy: 1.7616211275884448
Energy: 1.918178795719482
Energy: 1.874883236306609
Energy: 2.355652156553789
Energy: 1.874883236306609
Energy: 12.334843701973195
Energy: 1.7092786691723376
Energy: 1.7140270623849154
Energy: 1.7092786691723376
Energy: 1.9425143475350122
Energy: 1.7618987344425823
Energy: 1.7096670658373527
Energy: 1.761898734587819
Energy: 1.927331053286547
Energy: 1.8467108417321303
Energy: 2.3566494913587386
Energy: 1.8467108417321303
Energy: 1.942481362984378
Energy: 1.7102056401784727
Energy: 1.7090213213825054
Energy: 1.7102056401765093
Energy: 2.0669866664662
Energy: 1.7110813383518277
Energy: 1.7102362003878266
Energy: 1.7110813383518277
Energy: 1.7349156414363962
Energy: 1.7614870050096039
Energy: 2.3073726421889655
Energy: 1.7614870050096039
Energy: 1.7597640909063652
Energy: 1.7099748388962972
Energy: 1.7455068790375217
Energy: 1.7099748388962972
Energy: 2.1574383140391635
Energy: 1.7460020352668293
Energy: 1.748843461069867
Energy: 1.7460020352687926
Energy: 2.2648820986254274
Energy: 1.9067876120576994
Energy: 12.469790145314105
Energy: 1.9067876120576994
Energy: 2.374109965979071
Energy: 2.053180387071662
Energy: 12.631617414660678
Energy: 2.053180387069743
Energy: 2.286354521514251
Energy: 1.6970401621302562
Energy: 1.7452959563202852
Energy: 1.697040162128293
Energy: 1.7602226527980263
Energy: 1.7097234510859733
Energy: 1.74908367558864
Energy: 1.7097234510957895

minimum gb energy = 1.6784322816806836 eV
minimum distance =  2.46078556787278 Angstroms
sigma value = 17


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

Energy: 2.1097218753418847
Energy: 2.08611719196176
Energy: 11.74449534701822
Energy: 2.08611719196176
Energy: 2.152641313113047
Energy: 1.8076744618848206
Energy: 1.8594097781667152
Energy: 1.8076744618848206
Energy: 2.0071657219813432
Energy: 1.736570152544074
Energy: 1.6962820605354678
Energy: 1.736570152542962
Energy: 1.718936253254267
Energy: 1.7186625668131803
Energy: 1.859688023436895
Energy: 1.718662566814292
Energy: 1.7524742553575194
Energy: 1.768495516081481
Energy: 2.0912932394890835
Energy: 1.768495516082593
Energy: 9.004653645419886
Energy: 1.886150199452861
Energy: 1.765595398007949
Energy: 1.8861501994606444
Energy: 2.064860574966949
Energy: 1.7194240192922663
Energy: 2.050023590515783
Energy: 1.719424019308945
Energy: 1.7706022468665206
Energy: 1.6993069049104652
Energy: 2.182930242288716
Energy: 1.6993069049082419
Energy: 1.7701446712129365
Energy: 1.7482719842704542
Energy: 1.6971184300096502
Energy: 1.7482719842715662
Energy: 2.183062253925762
Energy: 1.67618308241267
Energy: 1.854346900271913
Energy: 1.676183082427074
Energy: 1.7446871012070515
Energy: 1.7409218189305309
Energy: 7.583831165371119
Energy: 1.7409218189294189
Energy: 1.7397138865812798
Energy: 1.7468345275825032
Energy: 1.9591480195133497
Energy: 1.7468345275836152
Energy: 2.2567175051166832
Energy: 1.763818319866382
Energy: 1.8012605068094223
Energy: 1.7638183198652702
Energy: 1.754097957305858
Energy: 1.7452142940876119
Energy: 1.900158772906593
Energy: 1.7452142940842763
Energy: 1.7381625081887118
Energy: 1.8563677112393284
Energy: 2.305799557045159
Energy: 1.8563677112404402
Energy: 2.188256172084691
Energy: 1.7494694244026345
Energy: 1.693990585351002
Energy: 1.7494694244015228
Energy: 1.7884675993595913
Energy: 1.843989438629353
Energy: 1.7492087344699496
Energy: 1.8439894386315772
Energy: 1.7725178574666447
Energy: 1.7885064029651365
Energy: 2.2694808768641623
Energy: 1.7885064029662485
Energy: 8.26166594613836
Energy: 1.6745182292796073
Energy: 1.9160081595363607
Energy: 1.6745182292807195
Energy: 2.403892313344951
Energy: 1.842587393203191
Energy: 2.0585371212893953
Energy: 1.8425873932042522
Energy: 1.6994241214620152
Energy: 1.7879912658402313
Energy: 2.1397701435658263
Energy: 1.7879912658391195
Energy: 1.6986450752830227
Energy: 1.805022156195744
Energy: 1.7358898059508303
Energy: 1.805022156196856
Energy: 2.1159202167497804
Energy: 1.7360943006390281
Energy: 1.7358924314941042
Energy: 1.7360943006401401
Energy: 2.1062128111674014
Energy: 1.7183848999871012
Energy: 8.560278808126563
Energy: 1.7183848999948845
Energy: 2.118296637710045
Energy: 1.716671484819891
Energy: 8.39461386714236
Energy: 1.7166714847576754
Energy: 2.1141872823467147
Energy: 1.7359993958971627
Energy: 1.7362133209734218
Energy: 1.7359993958971627
Energy: 1.6974754434904116
Energy: 1.7504386423705163
Energy: 1.7360684710850056
Energy: 1.7504386423883065
Energy: 1.699080822861927
Energy: 1.6986657385894872
Energy: 2.155436082688301
Energy: 1.6986657385894872
Energy: 2.1559476605533696
Energy: 1.8590468498594257
Energy: 2.0641336506740755
Energy: 1.8590468498605377
Energy: 8.451498940396291
Energy: 1.6745820205712536
Energy: 1.7642400540782384
Energy: 1.6745820205723656

minimum gb energy = 1.6745182292796073 eV
minimum distance =  2.47317080634347 Angstroms
sigma value = 53


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

Energy: 1.5097413640693873
Energy: 1.5395744279831394
Energy: 14.787490597026345
Energy: 1.5395744279831394
Energy: 1.8655023881472999
Energy: 1.587295706392309
Energy: 1.8653494301845113
Energy: 1.587295706392309
Energy: 2.5374483446382237
Energy: 1.8901404285049659
Energy: 2.1490665099307993
Energy: 1.8901404285049659
Energy: 2.148991785081622
Energy: 1.890195935441092
Energy: 2.5375758023922836
Energy: 1.890195935441092
Energy: 1.8653667421086841
Energy: 1.5875023457154083
Energy: 1.8655958526942893
Energy: 1.5875023457154083
Energy: 6.2343825008189775
Energy: 1.5395744279831394
Energy: 1.5097413640693873
Energy: 1.5395744279831394
Energy: 1.8653494301845113
Energy: 1.587295706392309
Energy: 1.8655023881498596
Energy: 1.587295706392309
Energy: 2.1490665099307993
Energy: 1.8901404285049659
Energy: 2.5374483446382237
Energy: 1.8901404285049659
Energy: 2.5375758023922836
Energy: 1.890195935441092
Energy: 2.148991785081622
Energy: 1.890195935441092
Energy: 1.8655958526942893
Energy: 1.5875023457154083
Energy: 1.8653667421086841
Energy: 1.5875023457154083
Energy: 1.5097413640693873
Energy: 1.5395744279831394
Energy: 14.792752828931361
Energy: 1.5395744279831394
Energy: 1.8655023881498596
Energy: 1.587295706392309
Energy: 1.8653494301845113
Energy: 1.587295706392309
Energy: 2.5374483446382237
Energy: 1.8901404285049659
Energy: 2.1490665099307993
Energy: 1.8901404285049659

minimum gb energy = 1.5097413640693873 eV
minimum distance =  2.45793624515515 Angstroms
sigma value = 9


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

Energy: 1.9950980514207484
Energy: 2.0080982227086963
Energy: 10.376875471513957
Energy: 2.0080982227086963
Energy: 2.2948979835899532
Energy: 2.012619137759286
Energy: 2.2210201308795408
Energy: 2.012619137761181
Energy: 1.878173439944441
Energy: 1.7699453712388071
Energy: 1.7687164098847057
Energy: 1.7699453712397546
Energy: 1.8517899664448279
Energy: 1.7984144994302143
Energy: 1.9862042154165618
Energy: 1.7984144994292668
Energy: 2.0074170248283965
Energy: 1.7635164502425684
Energy: 2.248432735570356
Energy: 1.7635164502425684
Energy: 7.841040822290407
Energy: 1.898251811673953
Energy: 1.929793020637454
Energy: 1.898251811673953
Energy: 1.9252785078110026
Energy: 1.8401394838028198
Energy: 2.377087566265681
Energy: 1.8401394838018723
Energy: 1.7626098777396737
Energy: 1.8294084446071948
Energy: 1.9453019380077563
Energy: 1.8294084446090892
Energy: 2.048763035751528
Energy: 1.7694500372832809
Energy: 1.8789957598549694
Energy: 1.7694500372823336
Energy: 1.9126078553475918
Energy: 1.7723384796987998
Energy: 2.0500168228219757
Energy: 1.7723384796978523
Energy: 1.8005733152124506
Energy: 1.8856990966580653
Energy: 7.716923554205977
Energy: 1.8856990966580653
Energy: 2.42798006790389
Energy: 1.7804897845196266
Energy: 1.8788589552116222
Energy: 1.7804897844533503
Energy: 1.921376311237023
Energy: 1.8371779171538627
Energy: 1.789786553927123
Energy: 1.8371779171538627
Energy: 1.9627910541589908
Energy: 1.8583133986522928
Energy: 1.926283161519166
Energy: 1.8583133986532403
Energy: 2.010884905360652
Energy: 1.8343498081387415
Energy: 1.7833563861937696
Energy: 1.834349808134952
Energy: 2.3239370871631406
Energy: 1.8210254739911134
Energy: 1.7960660847631755
Energy: 1.821025473990166
Energy: 1.9162813727994021
Energy: 1.8880844507448216
Energy: 2.4804034166945366
Energy: 1.8880844507448216
Energy: 1.806278014160003
Energy: 1.8778063182971194
Energy: 7.2480296562715605
Energy: 1.8778063182980669
Energy: 2.307043585194759
Energy: 1.819195736110206
Energy: 1.94955752101468
Energy: 1.819195736110206
Energy: 1.795537345916897
Energy: 1.8259539040321493
Energy: 1.8843468922028082
Energy: 1.8259539040188857
Energy: 1.8420742946645177
Energy: 1.832421020588115
Energy: 2.2540094762167886
Energy: 1.8324210205919045
Energy: 2.384739468264436
Energy: 1.7639805175815226
Energy: 1.9356002251601288
Energy: 1.7639805175824699
Energy: 7.3910721969954585
Energy: 1.8926571634711349
Energy: 1.9216751204005889
Energy: 1.8926571634682925
Energy: 1.88913387984594
Energy: 1.8540137805722727
Energy: 2.3996775901355583
Energy: 1.8540137805722727
Energy: 1.8657411473445282
Energy: 1.832206420132923
Energy: 1.7702898401911982
Energy: 1.8322064201480814
Energy: 2.3052345047600578
Energy: 1.9290622177046817
Energy: 1.8585668413783485
Energy: 1.9290622177046817
Energy: 2.0900508346503623
Energy: 1.77844190223849
Energy: 7.779402663629535
Energy: 1.7784419022574383
Energy: 1.9541016234659379
Energy: 1.7813073211487476
Energy: 7.662501148863992
Energy: 1.7813073211496953
Energy: 2.271832521503311
Energy: 1.9285633822410178
Energy: 1.853616204781764
Energy: 1.9285633822400703
Energy: 1.8518547278534179
Energy: 1.8643150851988441
Energy: 1.769620792696217
Energy: 1.864315085197897
Energy: 1.8865348022592396
Energy: 1.8761807912564372
Energy: 2.268327024183049
Energy: 1.8761807912573845
Energy: 7.398008625970456
Energy: 1.7684323966285633
Energy: 1.924675993967833
Energy: 1.7684323966276159
Energy: 2.480369859012574
Energy: 1.7633112480746627
Energy: 1.929144484737122
Energy: 1.7633112461058449
Energy: 1.8423241042926
Energy: 1.898959752580571
Energy: 2.5231316061377704
Energy: 1.8989597525815183
Energy: 1.815137012082281
Energy: 1.8282441378082923
Energy: 1.8760851436565928
Energy: 1.8282441378073448

minimum gb energy = 1.7626098777396737 eV
minimum distance =  2.4243909670697 Angstroms
sigma value = 73


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

Energy: 2.107631548759793
Energy: 1.9760396028431644
Energy: 7.135283830998278
Energy: 1.9760396028431644
Energy: 2.1963106660734755
Energy: 1.9074825803945268
Energy: 2.1983472462325344
Energy: 1.9074825803930238
Energy: 1.9773168237351149
Energy: 1.8832277807078155
Energy: 1.8082708392184574
Energy: 1.8832277807078155
Energy: 1.8587207092090747
Energy: 1.8222141359099877
Energy: 2.1284517183855822
Energy: 1.8222141359099877
Energy: 2.200067471588451
Energy: 1.8180672191755987
Energy: 2.0089794064474087
Energy: 1.8180672191755987
Energy: 10.297423649375297
Energy: 1.9429492939562667
Energy: 1.8431458774325067
Energy: 1.9429492939562667
Energy: 1.9488321535782418
Energy: 1.8716387796795357
Energy: 2.2323825518005753
Energy: 1.871638779681039
Energy: 1.8253270097443028
Energy: 1.8228765755099516
Energy: 1.9875626802083328
Energy: 1.8228765756061196
Energy: 2.2968551543295948
Energy: 1.8840414641348218
Energy: 2.1205094809992207
Energy: 1.8840414641318155
Energy: 1.8191325772813176
Energy: 1.9120107225747416
Energy: 2.0882653787454797
Energy: 1.9120107225747416
Energy: 1.8176893669351648
Energy: 1.8258102097474176
Energy: 2.7584589958479384
Energy: 1.8258102097474176
Energy: 2.368403932882863
Energy: 1.9499848719328525
Energy: 2.00921718624719
Energy: 1.9499848719328525
Energy: 9.928447266079964
Energy: 1.9431963481346268
Energy: 1.8431491026233342
Energy: 1.9431963481331236
Energy: 1.988180717125297
Energy: 1.8799603463662768
Energy: 2.4966591967568257
Energy: 1.8799603463662768
Energy: 1.8574458929551796
Energy: 1.823811789549924
Energy: 1.8308057463667387
Energy: 1.823811789549924
Energy: 2.2979246153607975
Energy: 1.9650698330480854
Energy: 1.8930899371881333
Energy: 1.9650698330495884
Energy: 2.0233020965727766
Energy: 1.9736503226979663
Energy: 10.250656238458006
Energy: 1.9736503226979663
Energy: 2.0221340103600776
Energy: 1.955516828920922
Energy: 10.342786745984965
Energy: 1.9555168289224247
Energy: 2.3744602224328863
Energy: 1.9630824775093718
Energy: 1.9727694449791233
Energy: 1.9630824775093718
Energy: 1.8563996388008148
Energy: 1.9287877791037553
Energy: 1.8084596578515275
Energy: 1.9287877791022523
Energy: 1.9775392015283302
Energy: 1.9187903684510355
Energy: 2.5580618652925735
Energy: 1.9187903684510355
Energy: 9.946510244097855
Energy: 1.9309657033552243
Energy: 1.838917911880914
Energy: 1.9309657033552243

minimum gb energy = 1.8082708392184574 eV
minimum distance =  2.43095121936156 Angstroms
sigma value = 7


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

Energy: 2.2336879227172948
Energy: 2.0120841067725035
Energy: 8.0867969442391
Energy: 2.0120841067725035
Energy: 2.256798876493848
Energy: 1.9766251503174506
Energy: 1.9513428587335042
Energy: 1.9766251503163874
Energy: 1.9472063569985654
Energy: 1.8925590498214795
Energy: 1.8943560211432695
Energy: 1.8925590498214795
Energy: 1.9511156984521072
Energy: 1.847908786778167
Energy: 1.9558214017517224
Energy: 1.847908786778167
Energy: 2.0867912828210566
Energy: 1.8907200356104752
Energy: 1.8432107943399458
Energy: 1.8907200356104752
Energy: 13.311353053516104
Energy: 1.847447704491976
Energy: 1.8533961255444003
Energy: 1.847447704491976
Energy: 1.9107137936636267
Energy: 1.9498668808624449
Energy: 2.3095877228248254
Energy: 1.949866880861382
Energy: 1.852924202541046
Energy: 1.8472519830108427
Energy: 13.14218735185407
Energy: 1.8472519830108427
Energy: 2.31837073380029
Energy: 1.9992106103557754
Energy: 1.9499631437572467
Energy: 1.9992106103557754
Energy: 1.8871590281239596
Energy: 1.8467186570160123
Energy: 1.9508124290919002
Energy: 1.8467186570160123
Energy: 1.8935418204908603
Energy: 1.9802060056520219
Energy: 2.1044752543270073
Energy: 1.9802060056520219
Energy: 13.6921668091942
Energy: 1.9825920033583502
Energy: 2.0915605808300124
Energy: 1.9825920033594129
Energy: 13.611285872503885
Energy: 1.9689967158678412
Energy: 2.0991597908779482
Energy: 1.9689967158678412
Energy: 1.8885727059738364
Energy: 1.9794386743747046
Energy: 2.4368247946637323
Energy: 1.9794386743747046
Energy: 1.8929569827851442
Energy: 1.9658502159945448
Energy: 1.9459491386354961
Energy: 1.9658502159924192
Energy: 2.395573776411353
Energy: 2.1313967044481728
Energy: 1.9456753122164745
Energy: 2.1313967044481728
Energy: 1.845754479940613
Energy: 1.8430433510420556
Energy: 2.085601942366662
Energy: 1.8430433510420556
Energy: 1.8411117524217606
Energy: 2.0211599376575324
Energy: 2.3055244533746313
Energy: 2.0211599376543443
Energy: 2.6828398507383846
Energy: 1.8451311609394998
Energy: 1.8447428047562355
Energy: 1.8451311609394998
Energy: 2.089731506635098
Energy: 1.8925273258872333
Energy: 1.8416378219972576
Energy: 1.892527325888296
Energy: 1.9463403955682945
Energy: 2.0040226511084756
Energy: 1.9480748477770744
Energy: 2.0040226511084756
Energy: 1.9465469321474578
Energy: 1.8938020920326015
Energy: 1.9044457037093245
Energy: 1.8938020920326015
Energy: 2.255954670526133
Energy: 1.9126874447233015
Energy: 1.945857002561478
Energy: 1.9126874449389717
Energy: 2.092705974952634
Energy: 2.0181595664624825
Energy: 13.408008793038357
Energy: 2.0181595664624825
Energy: 2.0981200930697756
Energy: 1.9782519020711449
Energy: 1.946932325801562
Energy: 1.9782519020722076
Energy: 2.1108506830818996
Energy: 1.8965582516000372
Energy: 1.8868134760887685
Energy: 1.8965582516149178
Energy: 1.946073974420879
Energy: 1.8461758786701545
Energy: 1.8874906398204696
Energy: 1.846175878671218
Energy: 2.0914600918403807
Energy: 1.8890761991869243
Energy: 2.3153681647040587
Energy: 1.8890761991890501
Energy: 13.266201626197715
Energy: 1.846042006996514
Energy: 1.847085631172534
Energy: 1.8460420069986399
Energy: 2.3074347231825567
Energy: 1.9978133215402711
Energy: 2.3068988996248825
Energy: 1.9978133215402711
Energy: 1.846970060162882
Energy: 1.8456438771837873
Energy: 13.001303100232143
Energy: 1.8456438771837873

minimum gb energy = 1.8411117524217606 eV
minimum distance =  2.43200814111362 Angstroms
sigma value = 29


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

Energy: 1.7935971041656704
Energy: 2.093886965550994
Energy: 11.148499503375128
Energy: 2.0938869655506243
Energy: 2.1842462294045824
Energy: 1.840128694664463
Energy: 1.8552322795157599
Energy: 1.840128694664463
Energy: 2.3464412138007145
Energy: 1.8144468699743364
Energy: 1.8139802905471363
Energy: 1.8144468699739662
Energy: 2.4062200713566755
Energy: 1.8541450238769022
Energy: 1.8113440733680701
Energy: 1.8541450238769022
Energy: 2.561851488817088
Energy: 1.8139093677061555
Energy: 1.810143763555082
Energy: 1.8139093677072664
Energy: 2.2968657852935968
Energy: 1.8112618818501216
Energy: 1.8102675576132046
Energy: 1.8112618818501216
Energy: 1.9789697155260662
Energy: 1.810155402299807
Energy: 2.5313083287182554
Energy: 1.8101554022991075
Energy: 1.7931144635263705
Energy: 1.8144971286818303
Energy: 18.937699900063084
Energy: 1.8144971286818303
Energy: 2.339576971582567
Energy: 2.0135537709681883
Energy: 2.0033348918473957
Energy: 2.0135537709681883

minimum gb energy = 1.7931144635263705 eV
minimum distance =  2.47409383481235 Angstroms
sigma value = 5


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

Energy: 2.1358949013427937
Energy: 1.9934811834892594
Energy: 10.179076031618797
Energy: 1.9934811834892594
Energy: 2.289291159707549
Energy: 1.954496684553277
Energy: 2.009267221277016
Energy: 1.9544966845522729
Energy: 2.060538085986386
Energy: 1.9817145156538414
Energy: 1.9708936167166933
Energy: 1.9817145156538414
Energy: 2.054088750910529
Energy: 2.1214878198668834
Energy: 2.0992099897814644
Energy: 2.121487819865925
Energy: 1.968413864075322
Energy: 1.9709950453008713
Energy: 1.9395198698846188
Energy: 1.9709950453008713
Energy: 2.1947169690929837
Energy: 1.9791174961443436
Energy: 1.946159465602458
Energy: 1.9791174961433395
Energy: 2.0424314016052296
Energy: 1.9739485057773563
Energy: 2.186643565281246
Energy: 1.973948505775348
Energy: 2.0463408033942105
Energy: 1.9720007918130171
Energy: 2.350848456880562
Energy: 1.9720007918130171
Energy: 2.4410829460232297
Energy: 1.9766355767621266
Energy: 2.0541277630749186
Energy: 1.9766355767601185
Energy: 7.872968767062962
Energy: 1.9732287659206493
Energy: 2.0582112663476066
Energy: 1.9732287659196452
Energy: 1.9468824368458166
Energy: 1.9489628553081728
Energy: 2.2617515345923143
Energy: 1.948962855307169
Energy: 1.9482001956374477
Energy: 1.9489965015765032
Energy: 2.0057385879211105
Energy: 1.948996501575499
Energy: 2.1530421966284683
Energy: 2.2365118792844187
Energy: 2.004701025012853
Energy: 2.236511879285423
Energy: 1.9456438453318505
Energy: 1.957194219972484
Energy: 1.9946168965622275
Energy: 1.9571942199734884
Energy: 1.9703484255861008
Energy: 2.214704114207773
Energy: 2.1853268137034787
Energy: 2.214704114207773
Energy: 8.077629136206397
Energy: 1.971367019279205
Energy: 2.1389303378653346
Energy: 1.971367019277197
Energy: 2.2872730185593007
Energy: 1.9366508953434454
Energy: 2.2257181658624017
Energy: 1.9366508953444492
Energy: 1.9851711805814933
Energy: 1.9700030219581621
Energy: 7.515165151118216
Energy: 1.9700030219571583
Energy: 2.080088487806142
Energy: 1.962546678285433
Energy: 2.0468913662601063
Energy: 1.9625466782864371
Energy: 1.9717339724410456
Energy: 1.9500175105404232
Energy: 1.9616867908534037
Energy: 1.950017510539419
Energy: 1.9694953211975508
Energy: 1.996838060571259
Energy: 2.1403845974340134
Energy: 1.996838060570255
Energy: 2.136704839519043
Energy: 1.970395976350195
Energy: 1.941307476347367
Energy: 1.9703959763491912
Energy: 2.055818582715439
Energy: 1.9764303365984328
Energy: 1.9429704715168516
Energy: 1.976430336596425
Energy: 2.211109566534415
Energy: 1.990683535484201
Energy: 8.216543523126086
Energy: 1.990683535484201
Energy: 2.2360029215540558
Energy: 1.9818416555111413
Energy: 7.474989280290527
Energy: 1.9818416555111413
Energy: 2.159270047196165
Energy: 2.0003125450155106
Energy: 1.9417920188913753
Energy: 2.0003125450165142
Energy: 2.0445362673183913
Energy: 1.9763041325822652
Energy: 1.9428860803657815
Energy: 1.9763041325832693
Energy: 2.0116118999491497
Energy: 2.1105582077058944
Energy: 2.212807939427452
Energy: 2.1105582077068985
Energy: 1.9770997741259981
Energy: 1.975420301164902
Energy: 1.9552230804753439
Energy: 1.975420301163898
Energy: 2.151027666302079
Energy: 2.266226555737537
Energy: 2.033350839733207
Energy: 2.2662265557365333
Energy: 2.042343393819436
Energy: 1.971844844405958
Energy: 7.431501139231523
Energy: 1.9718448444079657
Energy: 2.0986921193052708
Energy: 1.9439932764089092
Energy: 2.2487239514142363
Energy: 1.9439932764079053
Energy: 7.6436641178404265
Energy: 1.9713815020439647
Energy: 2.055071588613014
Energy: 1.9713815020429604

minimum gb energy = 1.9366508953434454 eV
minimum distance =  2.45212517169263 Angstroms
sigma value = 1


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

Energy: 1.9319815397340627
Energy: 1.8466660902748233
Energy: 9.260112226622281
Energy: 1.8466660902734349
Energy: 1.978858112139474
Energy: 1.9579399304866054
Energy: 1.95242136397552
Energy: 1.9579399304852172
Energy: 2.2123228812253184
Energy: 1.8755990408253762
Energy: 1.9778581969078877
Energy: 1.8755990408253762
Energy: 1.952719892459022
Energy: 1.8774724589887282
Energy: 1.9988854195291228
Energy: 1.87747245898734
Energy: 1.939582797510983
Energy: 1.8855789986951406
Energy: 1.9258488598025727
Energy: 1.8855789986937526
Energy: 1.9338707095011474
Energy: 2.114883832567097
Energy: 1.9258378528485214
Energy: 2.114883832567097
Energy: 1.9269158013545176
Energy: 1.8753028003944658
Energy: 2.2208595888316434
Energy: 1.8753028003944658
Energy: 1.927000121058486
Energy: 1.9045921768155185
Energy: 2.2150168817880944
Energy: 1.9045921768169067
Energy: 15.666384436005874
Energy: 1.8816026931662182
Energy: 1.8943240282979603
Energy: 1.8816026931662182
Energy: 15.747772726878571
Energy: 1.8817227907403407
Energy: 1.8943409807383005
Energy: 1.8817227907403407
Energy: 1.9268845791291114
Energy: 1.9047727596909683
Energy: 2.2150168817880944
Energy: 1.9047727596909683
Energy: 1.9268323760984116
Energy: 1.875323141180083
Energy: 2.2208595888316434
Energy: 1.8753231411786948
Energy: 1.9339526022186044
Energy: 2.1150346692991477
Energy: 1.9259156643841129
Energy: 2.1150346692977595
Energy: 1.9395634056705033
Energy: 1.845995789927716
Energy: 1.9260300622164384
Energy: 1.845995789927716
Energy: 1.9528940379221573
Energy: 1.8775033312373368
Energy: 1.9988424197814505
Energy: 1.8775033312373368
Energy: 2.2123228812267066
Energy: 1.875606334567651
Energy: 1.977575680640732
Energy: 1.875606334567651
Energy: 1.9786924258073055
Energy: 1.9573607519496985
Energy: 1.9524498720245476
Energy: 1.9573607519496985
Energy: 1.9319815397354512
Energy: 1.8466660902748233
Energy: 9.255762059114062
Energy: 1.8466660902748233
Energy: 1.978858112139474
Energy: 1.9579399304852172
Energy: 1.95242136397552
Energy: 1.9579399304852172
Energy: 2.2123228812253184
Energy: 1.8755990408253762
Energy: 1.9778581969078877
Energy: 1.8755990408253762
Energy: 1.952719892459022
Energy: 1.8774724589887282
Energy: 1.9988854195291228
Energy: 1.8774724589887282
Energy: 1.9395827975095945
Energy: 1.8855789986937526
Energy: 1.9258488598025727
Energy: 1.8855789986951406
Energy: 1.9338707095011474
Energy: 2.114883832567097
Energy: 1.9258378528499096
Energy: 2.114883832565709
Energy: 1.9269158013545176
Energy: 1.8753028003930776
Energy: 2.2208595888316434
Energy: 1.8753028003944658

minimum gb energy = 1.845995789927716 eV
minimum distance =  2.466390579248 Angstroms
sigma value = 17


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

Energy: 2.183766201535771
Energy: 1.9431384568580508
Energy: 9.144845806914288
Energy: 1.9431384568554768
Energy: 2.216459852356198
Energy: 2.137598567946707
Energy: 2.0927961578107515
Energy: 2.137598567944991
Energy: 6.707393756415899
Energy: 1.8792479060462615
Energy: 1.9345250519089034
Energy: 1.8792479060454035
Energy: 1.940835652981633
Energy: 2.180188296121132
Energy: 2.0703451997217286
Energy: 2.1801882961202734
Energy: 1.942758232650742
Energy: 1.8652385861780898
Energy: 1.9205474433813654
Energy: 1.865238586179806
Energy: 2.0813015025775723
Energy: 2.0078052669977042
Energy: 1.924134439714639
Energy: 2.0078052669959883
Energy: 1.9042553704149268
Energy: 1.8721918817680303
Energy: 1.9539223354872748
Energy: 1.8721918817688885
Energy: 1.9057513180480183
Energy: 1.870876949040356
Energy: 2.087223199938983
Energy: 1.870876949040356
Energy: 7.162887581644029
Energy: 1.8790605976077543
Energy: 2.1368149972654065
Energy: 1.87906059760947
Energy: 6.972743662982862
Energy: 1.8851932478296984
Energy: 2.135340987625567
Energy: 1.8851932478279827
Energy: 1.9981542876600125
Energy: 1.8791659021173897
Energy: 2.088220353975364
Energy: 1.8791659021165315
Energy: 1.9973139783656193
Energy: 1.879764438903172
Energy: 2.02015425128308
Energy: 1.8797644389014558
Energy: 2.1244229546162683
Energy: 1.8900493563017817
Energy: 1.911593155806729
Energy: 1.890049356303498
Energy: 1.94139534218998
Energy: 1.8654209122148413
Energy: 1.9123635636336382
Energy: 1.8654209122165577
Energy: 1.937154155841321
Energy: 1.903059807714108
Energy: 2.012246651123251
Energy: 1.9030598077149663
Energy: 1.940043092418299
Energy: 1.8712725688471203
Energy: 1.909571752586056
Energy: 1.871272568845404
Energy: 2.1090875161843536
Energy: 1.8974200042447242
Energy: 2.029030212103983
Energy: 1.8974200042455824
Energy: 2.0061359674888894
Energy: 1.8878378961299884
Energy: 6.978665493705805
Energy: 1.8878378961291304
Energy: 2.0313470769554702
Energy: 1.9645967693084252
Energy: 2.133097627041503
Energy: 1.9645967693092834
Energy: 11.339563815649907
Energy: 1.9209211098452479
Energy: 2.0269445791081515
Energy: 1.920921109846106
Energy: 2.080174855504828
Energy: 2.1891043424273295
Energy: 2.192281634231114
Energy: 2.189104342425613
Energy: 1.9294794039268164
Energy: 1.8652449151435424
Energy: 1.9705960516643362
Energy: 1.8652449151469743
Energy: 2.053981006105075
Energy: 2.1147044521581733
Energy: 1.9817736339960383
Energy: 2.114704452156457
Energy: 1.8990946017324148
Energy: 1.8730537845658908
Energy: 1.914094053334976
Energy: 1.873053784567607
Energy: 1.9072496339094829
Energy: 1.9693206241539982
Energy: 2.146682121392302
Energy: 1.9693206241548562
Energy: 1.99665083244798
Energy: 1.8708981024173161
Energy: 1.9127310222146625
Energy: 1.8708981024190325
Energy: 2.064687984356313
Energy: 1.8657030033641273
Energy: 1.9921345405355693
Energy: 1.8657030033649853
Energy: 2.153624989126962
Energy: 1.8862153728092415
Energy: 11.34191883356311
Energy: 1.8862153728109574
Energy: 2.1498778261230447
Energy: 1.8928710149020345
Energy: 7.002194905650463
Energy: 1.8928710149028922
Energy: 2.150383266043229
Energy: 1.8708146602503748
Energy: 1.9127877439224215
Energy: 1.8708146602512326
Energy: 2.047494086939585
Energy: 1.866469096736579
Energy: 1.9918138778266683
Energy: 1.8664690967357211
Energy: 1.8988671989637045
Energy: 1.9002684616127694
Energy: 2.0041467139479043
Energy: 1.9002684616127694
Energy: 1.9062472189691102
Energy: 1.8728694348591155
Energy: 1.9099438633221217
Energy: 1.8728694348582575
Energy: 2.0367984162284634
Energy: 1.8804798399041922
Energy: 1.9672812480889592
Energy: 1.8804798399050502
Energy: 1.9177181639926384
Energy: 1.8675848749864226
Energy: 1.9848932280875065
Energy: 1.8675848749872808
Energy: 2.094863380332996
Energy: 1.8880334657414568
Energy: 2.1080453725833386
Energy: 1.888033465742315
Energy: 7.323526260744483
Energy: 1.8776710887741046
Energy: 2.0338290389171707
Energy: 1.8776710887741046
Energy: 2.1006899079803913
Energy: 1.965928023488391
Energy: 2.1167108895385933
Energy: 1.9659280234901069

minimum gb energy = 1.8652385861780898 eV
minimum distance =  2.46409942083401 Angstroms
sigma value = 89


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

Energy: 2.0201461271458596
Energy: 1.7571493073303186
Energy: 7.943543130008736
Energy: 1.7571493073303186
Energy: 1.9055086753598507
Energy: 2.0024872968353504
Energy: 1.9369075875666222
Energy: 2.0024872968375953
Energy: 12.06672873535511
Energy: 1.7345100587569635
Energy: 1.7915452150427769
Energy: 1.7345100587569635
Energy: 1.8357645562312996
Energy: 1.7652595553139856
Energy: 2.0145246193204933
Energy: 1.7652595553139856
Energy: 1.8316482404050811
Energy: 1.7653761959570886
Energy: 1.8816200252879465
Energy: 1.7653761959570886
Energy: 1.9314294325474417
Energy: 2.141791486896122
Energy: 1.880782334041152
Energy: 2.141791486896122
Energy: 1.801741611075846
Energy: 1.7355524073610968
Energy: 1.8825760688323891
Energy: 1.7355524073610968
Energy: 1.801742208088029
Energy: 1.7903955960362228
Energy: 2.2405371160292624
Energy: 1.7903955960362228
Energy: 2.1087851733896414
Energy: 1.766021972603753
Energy: 1.7683629354107289
Energy: 1.766021972603753
Energy: 2.047595822498508
Energy: 1.7665172865305594
Energy: 1.7687503260699693
Energy: 1.7665172865328045
Energy: 1.9710507570135054
Energy: 1.7352989392025873
Energy: 13.067829549759187
Energy: 1.7352989392025873
Energy: 1.9663543230669291
Energy: 1.7352757543816701
Energy: 13.177710164825726
Energy: 1.7352757543816701
Energy: 13.491883065734747
Energy: 1.765994819546626
Energy: 1.7684627927135534
Energy: 1.765994819546626
Energy: 2.1112570673104747
Energy: 1.7656050418776623
Energy: 1.7691738564355401
Energy: 1.7656050418799074
Energy: 1.8028481610233758
Energy: 1.7655517226459314
Energy: 2.2320351467990096
Energy: 1.7655517226459314

minimum gb energy = 1.7345100587569635 eV
minimum distance =  2.47052912962358 Angstroms
sigma value = 13


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

Energy: 1.8419169371787945
Energy: 1.6943176913484213
Energy: 7.14915218767123
Energy: 1.6943176913493623
Energy: 1.8582723256744031
Energy: 1.6803417934481202
Energy: 1.8668286816598243
Energy: 1.6803417934481202
Energy: 12.12807709325611
Energy: 1.6194491238573885
Energy: 1.7905629495315476
Energy: 1.6194491238573885
Energy: 1.8480841025607648
Energy: 1.7862207682568727
Energy: 1.8666877854601618
Energy: 1.7862207682568727
Energy: 1.76470950888414
Energy: 1.6350930381743476
Energy: 1.8363289542021044
Energy: 1.6350930381743476
Energy: 1.866751812494638
Energy: 1.6363451792016872
Energy: 1.8043916195266838
Energy: 1.6363451792026282
Energy: 1.780150901141772
Energy: 1.621438998747756
Energy: 1.7908042082389888
Energy: 1.621438998747756
Energy: 1.765117392814049
Energy: 1.849698492392289
Energy: 1.9047528088368
Energy: 1.8496984923904072
Energy: 1.8245491288101576
Energy: 1.6365910799796508
Energy: 1.7560115774228942
Energy: 1.6365910799787098
Energy: 1.9850504104195972
Energy: 1.638150959882678
Energy: 1.7874805275994188
Energy: 1.638150959883619
Energy: 1.7624700893535703
Energy: 1.6220858576927601
Energy: 11.735712681686392
Energy: 1.6220858576927601
Energy: 1.7648935517841
Energy: 1.6216341560673038
Energy: 2.038642236961159
Energy: 1.6216341560682448
Energy: 12.055498980926043
Energy: 1.679521657119941
Energy: 1.814491080532516
Energy: 1.679521657119
Energy: 1.8757364940002597
Energy: 1.6799642916767228
Energy: 1.95918952086868
Energy: 1.6799642916757818
Energy: 1.7625124975120614
Energy: 1.6220299472096302
Energy: 12.061030927281024
Energy: 1.6220299472086896
Energy: 1.7652078134404943
Energy: 1.6211990922372561
Energy: 1.9485965823996647
Energy: 1.6211990922381971
Energy: 1.8626342714606832
Energy: 1.638195387578286
Energy: 1.7561944447435234
Energy: 1.638195387578286
Energy: 1.8381860182705003
Energy: 1.6357869086682773
Energy: 1.7854360691768234
Energy: 1.6357869086682773
Energy: 1.7663718975445182
Energy: 1.6223293995325707
Energy: 1.765394496752563
Energy: 1.6223293995316297
Energy: 1.765767325124604
Energy: 1.6229054789410617
Energy: 1.7664406058649877
Energy: 1.6229054789410617
Energy: 1.7858228522000736
Energy: 1.6359287528891122
Energy: 1.8379791019972334
Energy: 1.6359287528872302
Energy: 1.7561887689097537
Energy: 1.6381893401390935
Energy: 1.862634271455978
Energy: 1.6381893401390935
Energy: 1.9485965823996647
Energy: 1.6215341769391696
Energy: 1.7647989196598184
Energy: 1.6215341769391696
Energy: 12.218895993189092
Energy: 1.622001304744508
Energy: 1.762559813172548
Energy: 1.6220013047435669
Energy: 1.9592671525736554
Energy: 1.6799657472494416
Energy: 1.8757644953455592
Energy: 1.6799657472494416
Energy: 1.81454027931846
Energy: 1.6792995141253055
Energy: 11.879681189066712
Energy: 1.6792995141253055
Energy: 2.038686043628564
Energy: 1.6216097496169157
Energy: 1.7648808937483056
Energy: 1.621609749615975
Energy: 11.932089924599364
Energy: 1.6219576316792557
Energy: 1.7623123527274258
Energy: 1.6219576316792557
Energy: 1.7874945995996863
Energy: 1.637557226156411
Energy: 1.9848912671495231
Energy: 1.63755722615547
Energy: 1.755694781663031
Energy: 1.6373492114441823
Energy: 1.8245487199118424
Energy: 1.6373492114432413
Energy: 1.90504714397243
Energy: 1.8499726391291722
Energy: 1.7651271307718126
Energy: 1.8499726391301132
Energy: 1.7922812491105646
Energy: 1.621403872739896
Energy: 1.7801110372430622
Energy: 1.6214038727389553
Energy: 1.8049974057236295
Energy: 1.6364928766685716
Energy: 1.8667682129734886
Energy: 1.6364928766676305
Energy: 1.836740577838832
Energy: 1.6355996008639526
Energy: 1.7646105242209325
Energy: 1.6355996008630116
Energy: 1.8667149626411716
Energy: 1.7857902766174691
Energy: 1.8486110653040166
Energy: 1.7857902766174691

minimum gb energy = 1.6194491238573885 eV
minimum distance =  2.45116506552365 Angstroms
sigma value = 37


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

Energy: 1.871008859970881
Energy: 1.5914422491319993
Energy: 6.085643953326773
Energy: 1.5914422491336184
Energy: 1.9571590101179406
Energy: 1.62152214237381
Energy: 1.7729848265884487
Energy: 1.62152214237381
Energy: 9.218085277787436
Energy: 1.5212675647320735
Energy: 1.7712189507905982
Energy: 1.5212675647320735
Energy: 1.8129759792580786
Energy: 1.7222307752725392
Energy: 1.7723717621507094
Energy: 1.7222307752725392
Energy: 1.6903525688885161
Energy: 1.512917430400897
Energy: 1.8512608808667732
Energy: 1.512917430400897
Energy: 1.8131647355563005
Energy: 1.5441942633979668
Energy: 1.779852814226535
Energy: 1.5441942633979668
Energy: 1.716052231541161
Energy: 1.5211275532645678
Energy: 1.687808929566076
Energy: 1.5211275532645678
Energy: 1.7920002234518027
Energy: 1.6547673424004452
Energy: 1.7713199006641527
Energy: 1.6547673424004452
Energy: 1.7192059235713875
Energy: 1.513437923525449
Energy: 1.6779456469226843
Energy: 1.513437923525449
Energy: 1.8083678961028864
Energy: 1.5419334608911732
Energy: 1.677278271464829
Energy: 1.5419334608911732
Energy: 1.6466469690026762
Energy: 1.520738756014153
Energy: 1.798488380266102
Energy: 1.520738756014153
Energy: 1.6609044177253633
Energy: 1.541652690547095
Energy: 1.9526080638044785
Energy: 1.541652690547095
Energy: 10.105703027981487
Energy: 1.5127343004027367
Energy: 1.7501311186710367
Energy: 1.5127343004027367
Energy: 1.782072957092672
Energy: 1.5144497383009943
Energy: 1.783372841447209
Energy: 1.5144497382993753
Energy: 1.8046993357981087
Energy: 1.583496456580461
Energy: 10.215151358888267
Energy: 1.58349645658208
Energy: 1.8221163125021151
Energy: 1.608868050541629
Energy: 1.8138285029171861
Energy: 1.608868050541629
Energy: 10.220277613014874
Energy: 1.5128361278490003
Energy: 1.7495730694460727
Energy: 1.5128361278506195
Energy: 1.7741604371143354
Energy: 1.5145382284025937
Energy: 1.7834642405504808
Energy: 1.5145382284025937
Energy: 1.6472453864109216
Energy: 1.5199235577448067
Energy: 1.850599332464637
Energy: 1.5199235577448067
Energy: 1.6454772581586556
Energy: 1.5428063466364277
Energy: 1.8684106160206213
Energy: 1.5428063466364277

minimum gb energy = 1.5127343004027367 eV
minimum distance =  2.49379727605138 Angstroms
sigma value = 25


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

Energy: 1.7777656520888858
Energy: 1.4462653958889207
Energy: 11.512871774052071
Energy: 1.4462653958889207
Energy: 1.7274378963914525
Energy: 1.5955127610051891
Energy: 1.709860856169111
Energy: 1.5955127610064537
Energy: 8.490644819537813
Energy: 1.3869919029934714
Energy: 1.7139525964613458
Energy: 1.3869919029934714
Energy: 1.612378618683108
Energy: 1.4081614302279608
Energy: 1.7037856582702338
Energy: 1.4081614302279608
Energy: 1.6330699217820954
Energy: 1.3545109209587005
Energy: 8.500438608942641
Energy: 1.3545109209599646
Energy: 1.6118552805262647
Energy: 1.3820069819324887
Energy: 1.6363901768459312
Energy: 1.3820069819324887
Energy: 1.5957391706777426
Energy: 1.3525058574175648
Energy: 1.6104151857746773
Energy: 1.352505857418829
Energy: 1.6275090124627654
Energy: 1.3640562298456467
Energy: 1.6624964078759263
Energy: 1.3640562298443826
Energy: 1.5619908686963684
Energy: 1.3551962440786207
Energy: 1.5811184945640888
Energy: 1.3551962440786207
Energy: 1.6422183979765645
Energy: 1.424613745634767
Energy: 1.6087793859885968
Energy: 1.424613745634767
Energy: 1.5607541064763593
Energy: 1.35186748287769
Energy: 1.5824610534914663
Energy: 1.35186748287769
Energy: 1.5748080320942153
Energy: 1.364536431696862
Energy: 1.6593340927680447
Energy: 1.3645364316981259
Energy: 1.5950522576908954
Energy: 1.353847232898478
Energy: 1.556367634364734
Energy: 1.3538472328997417
Energy: 1.737628332645348
Energy: 1.3675298052287828
Energy: 1.5470223251258703
Energy: 1.3675298052287828
Energy: 1.582045229019116
Energy: 1.3515128240179246
Energy: 1.6647846376080768
Energy: 1.3515128240179246
Energy: 1.611768554607836
Energy: 1.3537579948198417
Energy: 1.7033267243671535
Energy: 1.3537579948211058
Energy: 8.498017989209123
Energy: 1.3843648811661964
Energy: 1.643072314005796
Energy: 1.3843648811649323
Energy: 1.6648610275993267
Energy: 1.4745678135863882
Energy: 1.6338757341824255
Energy: 1.474567813585124
Energy: 1.7108939558723224
Energy: 1.4389848290206457
Energy: 7.798485626152135
Energy: 1.4389848290206457
Energy: 1.7243723270576325
Energy: 1.443910902692417
Energy: 1.7042950229594083
Energy: 1.443910902691153
Energy: 8.636833643752336
Energy: 1.3842524708186488
Energy: 1.64316932052856
Energy: 1.3842524708173847
Energy: 1.7296156266715688
Energy: 1.4137535083040025
Energy: 1.6334445729370106
Energy: 1.4137535083040025
Energy: 1.582369565576844
Energy: 1.3514368219462558
Energy: 8.618242523907668
Energy: 1.3514368219462558
Energy: 1.6442389685488472
Energy: 1.3525198983071285
Energy: 1.6314054745117528
Energy: 1.3525198983071285
Energy: 1.5923148969371705
Energy: 1.353936399577405
Energy: 1.5563440683950103
Energy: 1.3539363995761409
Energy: 1.6636312669722342
Energy: 1.3660141984386411
Energy: 1.608337861361304
Energy: 1.3660141984386411

minimum gb energy = 1.3514368219462558 eV
minimum distance =  2.50171750153539 Angstroms
sigma value = 41


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

Energy: 1.7419690091983329
Energy: 1.3307545186862806
Energy: 9.216754354085568
Energy: 1.3307545186862806
Energy: 1.5940729245226455
Energy: 1.35943547315783
Energy: 1.5697664704130463
Energy: 1.35943547315783
Energy: 7.087245067498406
Energy: 1.2897093382559506
Energy: 1.6404553147073497
Energy: 1.2897093382559506
Energy: 1.5598370744074632
Energy: 1.523743570766559
Energy: 1.5696163666837095
Energy: 1.523743570766559
Energy: 1.6058409810347165
Energy: 1.2464620092858611
Energy: 7.169695497365335
Energy: 1.2464620092868974
Energy: 1.5597154979077053
Energy: 1.2726372272502513
Energy: 1.5069677842059066
Energy: 1.272637227249215
Energy: 1.5096905975427084
Energy: 1.2287579320924034
Energy: 1.5348965437043938
Energy: 1.2287579320934396
Energy: 1.5222694485815451
Energy: 1.2744973329295772
Energy: 1.5065140929659508
Energy: 1.2744973329285407
Energy: 1.5242852673122358
Energy: 1.2280364967207842
Energy: 1.472465538933337
Energy: 1.2280364967218205
Energy: 1.5565667005144077
Energy: 1.3088219374259982
Energy: 1.522631004440413
Energy: 1.3088219374259982
Energy: 1.478216799335783
Energy: 1.229055582316507
Energy: 1.4716291280180773
Energy: 1.2290555823175435
Energy: 1.500685183932507
Energy: 1.2740250722056612
Energy: 1.5461196664959358
Energy: 1.2740250722056612
Energy: 1.4854446047549954
Energy: 1.2285027334593308
Energy: 1.464546364043722
Energy: 1.2285027334614038
Energy: 1.5569887991167808
Energy: 1.239252826929778
Energy: 1.5172095053498924
Energy: 1.2392528269308143
Energy: 1.511535569225423
Energy: 1.2293271643558197
Energy: 1.4700660297431847
Energy: 1.2293271643558197
Energy: 1.5024098029256057
Energy: 1.2381253460117843
Energy: 1.6104139422129842
Energy: 1.2381253460097115
Energy: 1.5091674054577227
Energy: 1.228646102727841
Energy: 1.5220925687238496
Energy: 1.2286461027268045
Energy: 1.5547521095042365
Energy: 1.2289847968419907
Energy: 1.5147586899609617
Energy: 1.228984796843027
Energy: 1.537031539952057
Energy: 1.2462422245128646
Energy: 7.3207837033465335
Energy: 1.2462422245139013
Energy: 1.5248244359970147
Energy: 1.4165280562893725
Energy: 1.6558082874997615
Energy: 1.4165280562904088
Energy: 7.488478588983282
Energy: 1.2838507687311553
Energy: 1.5734694902843376
Energy: 1.2838507687311553
Energy: 1.6647377319059
Energy: 1.338557747499854
Energy: 1.5652632373341182
Energy: 1.338557747497781
Energy: 1.6580064265448902
Energy: 1.3263826187628045
Energy: 11.229467224414424
Energy: 1.3263826187617678
Energy: 1.5999639408226642
Energy: 1.3503733730038574
Energy: 1.6561011099805578
Energy: 1.3503733730038574
Energy: 7.554486619793317
Energy: 1.2835507474777546
Energy: 1.5733514203526728
Energy: 1.283550747478791
Energy: 1.555612920847253
Energy: 1.2837118041607665
Energy: 1.5650884894996326
Energy: 1.283711804161803
Energy: 1.5374848079852383
Energy: 1.2462989531841664
Energy: 7.270836974178601
Energy: 1.24629895318313
Energy: 1.5245040969689325
Energy: 1.2661176422351068
Energy: 1.5706849570208186
Energy: 1.2661176422351068
Energy: 1.5066902702246356
Energy: 1.2286411390070575
Energy: 1.521913818999966
Energy: 1.2286411390070575
Energy: 1.5246354028454197
Energy: 1.2286440624921395
Energy: 1.5137207266726358
Energy: 1.2286440624921395
Energy: 1.511261564201062
Energy: 1.2292787559462013
Energy: 1.4696423605054778
Energy: 1.2292787559471907
Energy: 1.505312072698021
Energy: 1.2364835909574228
Energy: 1.5422868055639318
Energy: 1.2364835909584595

minimum gb energy = 1.2280364967207842 eV
minimum distance =  2.51452563942972 Angstroms
sigma value = 15


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

Energy: 1.6506939102174483
Energy: 1.2484793637149556
Energy: 8.690035342633935
Energy: 1.2484793637167118
Energy: 1.549854793381583
Energy: 1.2859508967295086
Energy: 1.5306346983459
Energy: 1.2859508967295086
Energy: 10.894306116884467
Energy: 1.1955607612414496
Energy: 1.5827532521908272
Energy: 1.1955607612405716
Energy: 1.466962383294061
Energy: 1.2208985107376766
Energy: 1.5303504678465414
Energy: 1.2208985107367987
Energy: 1.5481905900447301
Energy: 1.170121890795619
Energy: 6.4291045909635915
Energy: 1.170121890794741
Energy: 1.466209523450397
Energy: 1.2046065329526952
Energy: 1.4617064940987465
Energy: 1.2046065329535731
Energy: 6.506405219784833
Energy: 1.1422816961896456
Energy: 1.4779770472526788
Energy: 1.1422816961896456
Energy: 1.429753329470093
Energy: 1.1862875170885774
Energy: 1.4611110156810894
Energy: 1.1862875170885774
Energy: 1.4565394396405171
Energy: 1.1323236153024978
Energy: 1.3842768612400675
Energy: 1.1323236153007419
Energy: 1.4296702817571876
Energy: 1.1645037171739143
Energy: 1.455876024800974
Energy: 1.1645037171730364
Energy: 1.377900683666026
Energy: 1.1323343246534263
Energy: 1.4071185486247737
Energy: 1.132334324654304
Energy: 1.4402318103132603
Energy: 1.1862448085087918
Energy: 1.5051693089963267
Energy: 1.1862448085096697
Energy: 1.4013930959418415
Energy: 1.1324124877284762
Energy: 1.3692346360452845
Energy: 1.1324124877311104
Energy: 1.4782711501827994
Energy: 1.1603889770144427
Energy: 1.4224580518907113
Energy: 1.1603889770153208
Energy: 1.3920067198215516
Energy: 1.132383702768662
Energy: 1.372390663231789
Energy: 1.132383702766906
Energy: 1.4354261246582558
Energy: 1.1598692845467682
Energy: 1.4813541836674455
Energy: 1.1598692845450123
Energy: 1.3813867619474487
Energy: 1.1325804021012382
Energy: 1.397443253069096
Energy: 1.1325804021029944
Energy: 1.5135228722101395
Energy: 1.1396198364148884
Energy: 1.4257275607841429
Energy: 1.1396198364140102
Energy: 1.445275713362714
Energy: 1.132255414027514
Energy: 1.3833753484604199
Energy: 1.1322554140266359
Energy: 1.4475825398691593
Energy: 1.1645374734204545
Energy: 1.4570479806907983
Energy: 1.1645374734160645
Energy: 1.4083117010768664
Energy: 1.1426278867966557
Energy: 1.4657363389754248
Energy: 1.1426278867984117
Energy: 1.516025285790061
Energy: 1.3052954972995683
Energy: 1.440687796680128
Energy: 1.3052954972995683
Energy: 1.4799970221028167
Energy: 1.1694247283626733
Energy: 6.162994896134628
Energy: 1.1694247283626733
Energy: 1.4750502849342186
Energy: 1.3628702367975434
Energy: 1.5217325058312576
Energy: 1.3628702367975434
Energy: 7.734691901672664
Energy: 1.1946988422879798
Energy: 1.5169926975363703
Energy: 1.1946988422853457
Energy: 1.4940571379614516
Energy: 1.266688009820235
Energy: 1.4973930841661114
Energy: 1.266688009819357
Energy: 1.5728830127115265
Energy: 1.2363609860529585
Energy: 11.059541703191922
Energy: 1.2363609860529585
Energy: 1.53892574069455
Energy: 1.281651526285998
Energy: 1.5211795673446384
Energy: 1.2816515262851198
Energy: 9.672486994474639
Energy: 1.1945993382406928
Energy: 1.5168955869139231
Energy: 1.1945993382398148
Energy: 1.5166783947787301
Energy: 1.218856062233436
Energy: 1.4977300695160416
Energy: 1.218856062234314
Energy: 1.4802599850628808
Energy: 1.1690148031275418
Energy: 6.8354077511605436
Energy: 1.169014803129298
Energy: 1.4761056180009346
Energy: 1.2084484411654026
Energy: 1.4578067152789889
Energy: 1.2084484411662806
Energy: 6.839586121854428
Energy: 1.1427719765999096
Energy: 1.4660430392515718
Energy: 1.1427719766016655
Energy: 1.4681418470446959
Energy: 1.157958284423515
Energy: 1.4411191779330201
Energy: 1.1579582844243932
Energy: 1.4452783861368577
Energy: 1.1322146150783448
Energy: 1.3977732514042251
Energy: 1.1322146150783448
Energy: 1.43575406204975
Energy: 1.1631332842084756
Energy: 1.440916942731812
Energy: 1.1631332842093538
Energy: 1.3838458139666407
Energy: 1.1327599442002947
Energy: 1.398145675746151
Energy: 1.1327599441976608

minimum gb energy = 1.1322146150783448 eV
minimum distance =  2.52340630323531 Angstroms
sigma value = 85


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

Energy: 1.6627622352564881
Energy: 1.1768809263708717
Energy: 6.9386048747089175
Energy: 1.1768809263708717
Energy: 1.3810484839847854
Energy: 1.285045007646136
Energy: 1.4320718783129218
Energy: 1.2850450076575584
Energy: 8.969301000766306
Energy: 1.1465470608483979
Energy: 1.6018132136342047
Energy: 1.1465470608476362
Energy: 1.4062134101663608
Energy: 1.138940757770156
Energy: 1.43207646504867
Energy: 1.1389407577693946
Energy: 1.522086182555599
Energy: 1.0945848064554449
Energy: 5.12398031116267
Energy: 1.0945848064546835
Energy: 1.4056029006657715
Energy: 1.1080139182134692
Energy: 1.3732931246258315
Energy: 1.1080139182127076
Energy: 5.854728753658484
Energy: 1.0791287758729224
Energy: 1.4782941538133336
Energy: 1.0791287758736838
Energy: 1.3676312086819817
Energy: 1.079325234848411
Energy: 1.3742264292102297
Energy: 1.0793252348468882
Energy: 1.410096650910059
Energy: 1.046534648105334
Energy: 1.314428905324558
Energy: 1.0465346481060955
Energy: 1.3678807559960648
Energy: 1.0659643388181244
Energy: 1.3618084802405266
Energy: 1.0659643388166011
Energy: 1.2819023913631804
Energy: 1.046430323349676
Energy: 1.3845917026643135
Energy: 1.046430323350437
Energy: 1.374038456655726
Energy: 1.0554100596920426
Energy: 1.3491221154737083
Energy: 1.0554100596920426
Energy: 1.3312683385786928
Energy: 1.0463640791645832
Energy: 1.2952369763187306
Energy: 1.0463640791638218
Energy: 1.4229167505797682
Energy: 1.0827404699412038
Energy: 1.3567538855714232
Energy: 1.0827404699412038
Energy: 1.282639124245006
Energy: 1.0463798596987315
Energy: 1.3244788469965945
Energy: 1.0463798596994929
Energy: 1.3527963034252428
Energy: 1.068975065091771
Energy: 1.3917607464857713
Energy: 1.068975065093294
Energy: 1.2880530014926925
Energy: 1.0465495277018435
Energy: 1.3086114642872293
Energy: 1.0465495277018435
Energy: 1.420947533191262
Energy: 1.0684879354723
Energy: 1.3572492716400777
Energy: 1.0684879354730616
Energy: 1.3146913460830076
Energy: 1.0461871298179464
Energy: 1.3004740931015029
Energy: 1.0461871298179464
Energy: 1.3450809686842706
Energy: 1.0408810637430777
Energy: 1.4401505114043798
Energy: 1.0408810637430777
Energy: 1.2835718323016028
Energy: 1.0463640698039545
Energy: 1.3519914505417086
Energy: 1.0463640698039545
Energy: 1.3655308386329843
Energy: 1.0556534506828639
Energy: 1.3616655471890744
Energy: 1.0556534506843867
Energy: 1.375624460533226
Energy: 1.046478487639782
Energy: 1.3143124561494608
Energy: 1.046478487639782
Energy: 1.3684650003458882
Energy: 1.1986180365077692
Energy: 1.400361564954861
Energy: 1.1986180365077692
Energy: 5.529494785449231
Energy: 1.078761027285358
Energy: 1.4226529783974537
Energy: 1.0787610272845969
Energy: 1.4075540253666696
Energy: 1.2131881714001882
Energy: 1.3723498958750002
Energy: 1.2131881714001882
Energy: 1.4639291204929141
Energy: 1.093733774184103
Energy: 5.887572296316832
Energy: 1.093733774184103
Energy: 1.3974208513747413
Energy: 1.1296629015753923
Energy: 1.3552516177745917
Energy: 1.1296629015746307
Energy: 9.661911706308869
Energy: 1.145501279781997
Energy: 1.4849330473061235
Energy: 1.1455012797827582
Energy: 1.3815527474489295
Energy: 1.1840230632717388
Energy: 1.4320774854001594
Energy: 1.1840230632717388
Energy: 1.5473252347743072
Energy: 1.1760112188960925
Energy: 8.203642798493137
Energy: 1.1760112188945693
Energy: 1.476460670519655
Energy: 1.172526585165441
Energy: 1.3551897533601518
Energy: 1.1725265851646791
Energy: 8.582797563629228
Energy: 1.1455621548032513
Energy: 1.4852764605562536
Energy: 1.145562154804013
Energy: 1.4082484746676642
Energy: 1.1393767613987762
Energy: 1.4320294663542081
Energy: 1.1393767613995374
Energy: 1.4642211327600654
Energy: 1.0939479106899397
Energy: 6.055460349707019
Energy: 1.0939479106899397
Energy: 1.3973349347935173
Energy: 1.0922445634692302
Energy: 1.4007118660635574
Energy: 1.0922445634699915
Energy: 5.793150756770964
Energy: 1.078557257735234
Energy: 1.422327405192484
Energy: 1.0785572577359956
Energy: 1.366798824050522
Energy: 1.0799140815360457
Energy: 1.372171528541389
Energy: 1.0799140815352841
Energy: 1.3756432036274588
Energy: 1.046228957992018
Energy: 1.313234144006507
Energy: 1.0462289579912565
Energy: 1.3561791008816275
Energy: 1.0492743115169842
Energy: 1.3790388853939508
Energy: 1.0492743115169842
Energy: 1.2811893128397964
Energy: 1.0461281592872513
Energy: 1.3521700203252403
Energy: 1.0461281592872513
Energy: 1.3650053466340115
Energy: 1.0561755638351358
Energy: 1.3502021948338065
Energy: 1.0561755638351358
Energy: 1.3145675342309
Energy: 1.0335351809250122
Energy: 1.2951007557972283
Energy: 1.0335351809250122

minimum gb energy = 1.0335351809250122 eV
minimum distance =  2.52585618858666 Angstroms
sigma value = 113


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

Energy: 0.019689875248334418
Energy: 0.019951681692432388
Energy: 7.499386022252987
Energy: 0.019951681692432388
Energy: 0.02000423262751118
Energy: 1.03304126861148
Energy: 0.02000423262751118
Energy: 1.0330412686120654
Energy: 12.11555815968689
Energy: 0.019951681692432388
Energy: 0.019689875248334418
Energy: 0.01995168169301778
Energy: 0.02000423262751118
Energy: 1.03304126861148
Energy: 0.020004232628096568
Energy: 1.03304126861148
Energy: 0.019689875248334418
Energy: 0.019951681692432388
Energy: 31.281820074789355
Energy: 0.019951681692432388
Energy: 0.02000423262751118
Energy: 1.0330412686120654
Energy: 0.020004232628096568
Energy: 1.03304126861148

minimum gb energy = 0.019689875248334418 eV
minimum distance =  2.69846477639748 Angstroms
sigma value = 1