Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=2.570972137153149
cohesive_energy=-2.90814344205171
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 637.9849676152362
Energy: 623.4968584883113
Energy: 623.4968584883113
Energy: 637.9849676152332
Energy: 623.4968584883086
Energy: 623.4968584883113
Energy: 637.9849676152332
Energy: 623.4968584883086
Energy: 623.4968584883113
Energy: 637.9849676152332
Energy: 627.7648224696301
Energy: 637.9865392496075
Energy: 621.9596519736301
Energy: 627.7648224696329
Energy: 637.9865392496102
Energy: 621.9596519736301
Energy: 627.7648224696329
Energy: 637.9865392496075
Energy: 621.9596519736331
Energy: 627.7648224696329
Energy: 659.240572785846
Energy: 649.6122424707165
Energy: 649.6122424707165
Energy: 655.0167305363996
Energy: 649.6122424707195
Energy: 649.6122424707137
Energy: 652.5492603587277
Energy: 649.6122424707165
Energy: 649.8353802544052
Energy: 652.4844391025141
Energy: 627.7648224696329
Energy: 621.9596519736301
Energy: 637.9865392496102
Energy: 627.7648224696329
Energy: 621.9596519736274
Energy: 637.9865392496075
Energy: 627.7648224696301
Energy: 621.9596519736274
Energy: 637.9865392496102
Energy: 627.7648224696301
Energy: 637.9849676152362
Energy: 623.4968584883113
Energy: 623.4968584883056
Energy: 637.9849676152362
Energy: 623.4968584883113
Energy: 623.4968584883056
Energy: 637.9849676152362
Energy: 623.4968584883086
Energy: 623.4968584883086
Energy: 637.9849676152362
Energy: 627.7648224696329
Energy: 637.9865392496075
Energy: 621.9596519736244
Energy: 627.7648224696329
Energy: 637.9865392496102
Energy: 621.9596519736244
Energy: 627.7648224696301
Energy: 637.9865392496075
Energy: 621.9596519736244
Energy: 627.7648224696329
Energy: 653.2154485818012
Energy: 648.1191300455134
Energy: 649.6122424707165
Energy: 652.933372778047
Energy: 649.6629212804461
Energy: 649.6122424707137
Energy: 652.8589162234318
Energy: 649.6122424707195
Energy: 649.6122424707137
Energy: 652.8589162234318

minimum gb energy = 621.9596519736244 eV
minimum distance =  1.30935359188999 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 968.7877691525508
Energy: 972.9410133575351
Energy: 973.6030529543668
Energy: 968.7877691525565
Energy: 972.9410133575359
Energy: 973.6030529543611
Energy: 968.7877691525578
Energy: 972.9410133575414
Energy: 973.6030529543659
Energy: 968.7877691525549
Energy: 979.9247638609385
Energy: 976.5494329549688
Energy: 980.9329667105058
Energy: 979.9247638638018
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Energy: 980.9329667105011
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Energy: 979.9247638638037
Energy: 983.6593734164722
Energy: 974.39583041667
Energy: 981.7709923764913
Energy: 983.6593734164694
Energy: 974.3958304166708
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Energy: 983.6593734164716
Energy: 974.3958304166688
Energy: 981.7709923764897
Energy: 983.6593734164716
Energy: 974.1930199311156
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Energy: 971.0660963785157
Energy: 974.1930199311143
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Energy: 971.0660963785109
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Energy: 974.1930199311164
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Energy: 979.3361019547912
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Energy: 973.4467163599616
Energy: 972.57691692657
Energy: 973.0459347101904
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Energy: 975.4894185765909
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Energy: 980.7082146696516
Energy: 975.4894185765925
Energy: 980.8008505057419
Energy: 969.7646131231213
Energy: 972.9555386380151
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Energy: 969.7646131231248
Energy: 972.9555386380116
Energy: 974.2915721456724
Energy: 969.7646131231227
Energy: 972.9555386380158
Energy: 974.2915721456724
Energy: 969.76461312312
Energy: 979.8162524797058
Energy: 973.7813055324995
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Energy: 979.8162524797038
Energy: 973.781305532496
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Energy: 973.7813055325017
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Energy: 973.5675809534702
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Energy: 973.5675809534694
Energy: 978.6860215323549
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Energy: 974.2875472177648
Energy: 978.6860215323577
Energy: 979.7486702576462
Energy: 974.2875472177626
Energy: 978.686021532357
Energy: 979.7486702576462
Energy: 974.2875472177648
Energy: 978.6860215323555
Energy: 977.0914123480344
Energy: 979.469745653898
Energy: 978.7736809571287
Energy: 977.0914123480351
Energy: 979.469745653898
Energy: 978.7736809571314
Energy: 977.0914123480316
Energy: 979.4697456538967
Energy: 978.77368095713
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Energy: 972.9437193672554
Energy: 970.8657704177527
Energy: 972.8961140784526
Energy: 972.9437193672603
Energy: 970.8657704177527
Energy: 972.8961140784484
Energy: 972.9437193672561
Energy: 970.8657704177533
Energy: 972.8961140784568
Energy: 972.9437193672603
Energy: 980.5011717505572
Energy: 980.0033795176935
Energy: 975.8281146958944
Energy: 980.5011717505627
Energy: 980.0033795176976
Energy: 975.8281146958916
Energy: 980.5011717505579
Energy: 980.0033795176963
Energy: 975.828114695898
Energy: 980.5011717505643
Energy: 973.6447332447323
Energy: 977.1160995795638
Energy: 973.4166058689744
Energy: 973.644733244735
Energy: 977.1160995795659
Energy: 973.4166058689688
Energy: 973.6447332447343
Energy: 977.1160995795638
Energy: 973.4166058689744
Energy: 973.6447332447364
Energy: 969.1567067500143
Energy: 973.838092786828
Energy: 973.2700163037352
Energy: 969.1567067500187
Energy: 973.8380927868259
Energy: 973.2700163037304
Energy: 969.1567067500165
Energy: 973.838092786831
Energy: 973.2700163037352
Energy: 969.1567067500171
Energy: 980.7162626710829
Energy: 975.3777988854991
Energy: 980.6334957349012
Energy: 980.7162626710815
Energy: 975.3777988854984
Energy: 980.633495734899
Energy: 980.7162626710808
Energy: 975.3777988854991
Energy: 980.6334957349004
Energy: 980.7162626710821
Energy: 973.2574532441904
Energy: 973.5239076131992
Energy: 971.4791180767751
Energy: 973.2574532441897
Energy: 973.5239076131961
Energy: 971.4791180767722
Energy: 973.2574532441876
Energy: 973.5239076131999
Energy: 971.4791180767722
Energy: 973.2574532441931
Energy: 973.4974545980662
Energy: 973.959263711406
Energy: 972.4217801128725
Energy: 973.4974545980626
Energy: 973.9592637114038
Energy: 972.4217801128689
Energy: 973.4974545980641
Energy: 973.9592637114088
Energy: 972.4217801128746
Energy: 973.4974545980675
Energy: 977.7165630635919
Energy: 979.6967120361164
Energy: 978.7510444827321
Energy: 977.7165630635925
Energy: 979.6967120361095
Energy: 978.7510444827351
Energy: 977.7165630635898
Energy: 979.6967120361164
Energy: 978.7510444827337
Energy: 977.716563063596
Energy: 973.3454685915179
Energy: 971.0320615656149
Energy: 972.666965237814
Energy: 973.3454685915158
Energy: 971.0320615656127
Energy: 972.6669652378104
Energy: 973.3454685915151
Energy: 971.0320615656176
Energy: 972.6669652378175
Energy: 973.3454685915151
Energy: 981.1593525204364
Energy: 981.8961255732991
Energy: 976.9813559288244
Energy: 981.1593525204379
Energy: 981.896125573297
Energy: 976.9813559288237
Energy: 981.1593525204352
Energy: 981.8961255732991
Energy: 976.9813559288272
Energy: 981.1593525204358
Energy: 974.7501766422057
Energy: 981.466999640038
Energy: 976.814868243829
Energy: 974.7501766422085
Energy: 981.466999640038
Energy: 976.8148682438226
Energy: 974.7501766422072
Energy: 981.4669996400388
Energy: 976.8148682438274
Energy: 974.7501766422079
Energy: 969.3706605635379
Energy: 972.9410133575414
Energy: 973.6030529543674
Energy: 969.37066056354
Energy: 972.9410133575329
Energy: 973.6030529543611
Energy: 969.37066056354
Energy: 972.941013357542
Energy: 973.6030529543668
Energy: 969.3706605635393
Energy: 979.9247638609363
Energy: 976.5494329549709
Energy: 980.9329667105072
Energy: 979.9247638609363
Energy: 976.5494329549658
Energy: 980.9329667105058
Energy: 979.9247638609369
Energy: 976.5494329549737
Energy: 980.9329667105051
Energy: 979.9247638609369
Energy: 983.5267208744145
Energy: 974.395830416673
Energy: 981.7709923764892
Energy: 983.5267208744167
Energy: 974.3958304166673
Energy: 981.7709923764863
Energy: 983.5267208744137
Energy: 974.3958304166715
Energy: 981.770992376487
Energy: 983.5267208744194
Energy: 974.1930199311178
Energy: 972.6275552614167
Energy: 971.0660963785157
Energy: 974.1930199311171
Energy: 972.6275552614131
Energy: 971.0660963785122
Energy: 974.1930199311171
Energy: 972.6275552614175
Energy: 971.0660963785136
Energy: 974.1930199311156

minimum gb energy = 968.7877691525508 eV
minimum distance =  1.41143710506599 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 662.5917926192975
Energy: 670.3669412710327
Energy: 670.0231259833843
Energy: 663.6086219711733
Energy: 670.3669412710327
Energy: 670.0231259833811
Energy: 662.5917926192931
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Energy: 670.0231259833818
Energy: 663.6086219711701
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Energy: 668.9498325403545
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Energy: 668.5984072555217
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Energy: 668.9451963167751
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minimum gb energy = 661.1751432348949 eV
minimum distance =  1.45259785304788 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 589.3469285648501
Energy: 589.41959616527
Energy: 587.364256820438
Energy: 587.4619072118368
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Energy: 595.2754577869325
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Energy: 593.9894474023589
Energy: 595.2947100619822
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Energy: 590.9685032190283
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Energy: 594.6199255436773
Energy: 590.9685032190295
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Energy: 594.6199255436858
Energy: 593.3498896082351
Energy: 590.3509541725933
Energy: 590.4867553436759
Energy: 593.3498896082305
Energy: 590.3509541725921
Energy: 590.4867553436735
Energy: 593.3498896082293
Energy: 590.3509541725933
Energy: 590.4867553436762
Energy: 593.3498896082313
Energy: 591.7398189653533
Energy: 592.958518263844
Energy: 591.2561710791656
Energy: 591.7398189653517
Energy: 592.9284518403621
Energy: 591.256171079164
Energy: 591.7398189653517
Energy: 592.9585182638443
Energy: 591.2561710791663
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Energy: 595.7695582265455
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Energy: 595.769558226547
Energy: 593.601557188015
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Energy: 592.4677643327005
Energy: 587.2785761373605
Energy: 593.7643114106048
Energy: 592.4677643327017
Energy: 587.2785761373608
Energy: 593.7643114106064
Energy: 592.4677643327044
Energy: 587.2785761373615
Energy: 593.7643114106055
Energy: 591.8379731746058
Energy: 593.1447388806196
Energy: 593.7673308541546
Energy: 591.8379731746036
Energy: 593.14656176197
Energy: 593.7673308541478
Energy: 591.8379731746047
Energy: 593.1447388806249
Energy: 593.7673308541497
Energy: 591.837973174605
Energy: 590.9840475835068
Energy: 594.1525171491634
Energy: 589.8757921406192
Energy: 590.9840475835053
Energy: 594.1539468313467
Energy: 589.8757921406195
Energy: 590.9840475835034
Energy: 594.1525171491645
Energy: 589.8757921406195
Energy: 590.9840475835045
Energy: 589.940275216474
Energy: 590.9176984943247
Energy: 589.9092755205575
Energy: 589.9402752164721
Energy: 590.9155624944602
Energy: 589.9092755205563
Energy: 589.9402752164718
Energy: 590.9176984943243
Energy: 589.9092755205575
Energy: 589.9402752164721

minimum gb energy = 585.4164945759538 eV
minimum distance =  1.28551638376177 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 768.9774575170889
Energy: 772.0353716827625
Energy: 772.050083396945
Energy: 768.9774575170889
Energy: 772.0353716827636
Energy: 772.0500833969463
Energy: 768.9774575170889
Energy: 772.0353716827625
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Energy: 771.2494134946907
Energy: 770.543014289073
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Energy: 771.6826118139049
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Energy: 771.7535371143208
Energy: 771.6826118139049
Energy: 778.1367039947432
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Energy: 771.6826118139036
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Energy: 769.4204565809381
Energy: 771.2998180169154
Energy: 768.9485716559038
Energy: 769.4204565809395
Energy: 771.2998180169182
Energy: 768.9485716559038
Energy: 769.4204565809395
Energy: 771.2998180169141
Energy: 768.9485716559038
Energy: 769.4204565809395
Energy: 778.6180866435348
Energy: 779.018513579995
Energy: 778.9851173756925
Energy: 778.6180866435257
Energy: 779.0185135799909
Energy: 778.9851173756953
Energy: 778.6180866435336
Energy: 779.0185135799936
Energy: 778.9851173756913
Energy: 778.6180866435229
Energy: 771.8021022580183
Energy: 769.9034193203862
Energy: 771.5637607471815
Energy: 771.802102258017
Energy: 769.9034193203875
Energy: 771.5637607471804
Energy: 771.8021022580183
Energy: 769.9034193203836
Energy: 771.563760747183
Energy: 771.802102258017
Energy: 775.3329177862837
Energy: 778.7534984065622
Energy: 776.8713275945693
Energy: 775.332917786285
Energy: 778.7534984065609
Energy: 776.871327594572
Energy: 775.3329177862823
Energy: 778.7534984065582
Energy: 776.8713275945678
Energy: 775.3329177862823
Energy: 771.3627090919448
Energy: 768.0649480706309
Energy: 769.7728569381188
Energy: 771.3627090919433
Energy: 768.0649480706281
Energy: 769.7728569381201
Energy: 771.3627090919433
Energy: 768.0649480706295
Energy: 769.7728569381175
Energy: 771.3627090919433
Energy: 768.9774575170928
Energy: 772.0353716827651
Energy: 772.0500833969463
Energy: 768.9774575170928
Energy: 772.0353716827651
Energy: 772.0500833969476
Energy: 768.9774575170928
Energy: 772.0353716827636
Energy: 772.0500833969463
Energy: 768.9774575170903

minimum gb energy = 768.0543972201797 eV
minimum distance =  1.68309634687524 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 885.6675235368913
Energy: 888.579879413509
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Energy: 888.5798794135097
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Energy: 889.7431320062971
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Energy: 889.7431320062971
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Energy: 888.319674784037
Energy: 888.5233802384614
Energy: 885.7961700710118
Energy: 888.319674784038
Energy: 888.5233802384632
Energy: 885.7961700710127
Energy: 888.3196747840386
Energy: 888.523380238463
Energy: 885.7961700710101
Energy: 888.319674784039
Energy: 890.3786478863645
Energy: 889.2643147794442
Energy: 889.11441550851
Energy: 890.3786478863635
Energy: 889.2643147794437
Energy: 889.1144155085088
Energy: 890.3786478863635
Energy: 889.2643147794413
Energy: 889.1144155085083
Energy: 890.3786478863641
Energy: 887.9584696105064
Energy: 884.4370131587933
Energy: 884.701914281822
Energy: 887.9584696105013
Energy: 884.4370131587945
Energy: 884.7019142818215
Energy: 887.9584696105162
Energy: 884.4370131587905
Energy: 884.701914281821
Energy: 887.958469610499
Energy: 887.0683679527324
Energy: 888.1164793262182
Energy: 887.3774368346998
Energy: 887.0683679527286
Energy: 888.1164793262224
Energy: 887.3774368346976
Energy: 887.0683679527286
Energy: 888.1164793262194
Energy: 887.377436834696
Energy: 887.0683679527286
Energy: 892.1878092205955
Energy: 888.6158282166813
Energy: 891.8969053027056
Energy: 892.1878092205935
Energy: 888.6158282166828
Energy: 891.8969053027066
Energy: 892.1878092205831
Energy: 888.6158282166813
Energy: 891.8969053027104
Energy: 892.1878092205851
Energy: 884.9457135983898
Energy: 884.5855773214968
Energy: 888.1027724801365
Energy: 884.9457135983903
Energy: 884.5855773214977
Energy: 888.1027724801355
Energy: 884.9457135983872
Energy: 884.5855773214915
Energy: 888.1027724801365
Energy: 884.9457135983882

minimum gb energy = 881.7947730815415 eV
minimum distance =  1.37021012601416 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 745.560560593558
Energy: 738.7958218315393
Energy: 739.0017751489903
Energy: 747.7568159935851
Energy: 738.7958218315351
Energy: 739.0017751489869
Energy: 745.5605605935568
Energy: 738.7958218315375
Energy: 739.0017751489892
Energy: 747.7568159935856
Energy: 748.727020677781
Energy: 739.3378316293043
Energy: 748.7759570537006
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Energy: 739.3378316293008
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Energy: 739.3378316293049
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Energy: 751.3880124838957
Energy: 751.1747888265859
Energy: 739.386997194116
Energy: 750.6659892472529
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Energy: 739.3869971941117
Energy: 750.1857364421888
Energy: 751.1747888265884
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Energy: 742.7930729551418
Energy: 739.4673716042784
Energy: 747.9280565999321
Energy: 742.7930729551491
Energy: 739.4673716042729
Energy: 748.0387885459795
Energy: 742.7930729551449
Energy: 739.4673716042772
Energy: 747.9280565999327
Energy: 742.7930729551456
Energy: 739.5741370522195
Energy: 738.6063999694319
Energy: 747.5303378839079
Energy: 739.5741370522202
Energy: 738.6063999694295
Energy: 747.4875175913467
Energy: 739.5741370522202
Energy: 738.606399969433
Energy: 747.5303378839079
Energy: 739.5741370522209
Energy: 737.922946624394
Energy: 750.489396649051
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Energy: 737.922946624399
Energy: 748.7819455382289
Energy: 750.1031875013147
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Energy: 750.4893966490498
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Energy: 739.7755474173159
Energy: 748.9231469679466
Energy: 744.041715333294
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Energy: 748.3070807285937
Energy: 744.041715333292
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Energy: 744.041715333292
Energy: 739.7755474173173
Energy: 737.6275422756495
Energy: 747.6587756386401
Energy: 738.4440908541349
Energy: 737.6275422756513
Energy: 747.4394657652819
Energy: 738.4440908541305
Energy: 737.6275422756513
Energy: 747.6587756386372
Energy: 738.444090854132
Energy: 737.6275422756524
Energy: 749.1570137352468
Energy: 749.1084093645235
Energy: 739.1278677872933
Energy: 749.6457525709689
Energy: 749.6013958497128
Energy: 739.1278677872903
Energy: 749.1570137352527
Energy: 749.108409364526
Energy: 739.1278677872928
Energy: 749.6457525709689
Energy: 751.5989527948284
Energy: 750.0206867104129
Energy: 739.612758214814
Energy: 752.3942616108687
Energy: 751.0495501526269
Energy: 739.6127582148116
Energy: 751.5989527948273
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Energy: 739.6127582148126
Energy: 752.3942616108765
Energy: 748.1998485583882
Energy: 743.025996143311
Energy: 739.275343325022
Energy: 748.6760585223966
Energy: 743.0259961433121
Energy: 739.2753433250214
Energy: 748.199848558389
Energy: 743.0259961433134
Energy: 739.2753433250238
Energy: 748.6760585224008
Energy: 746.7106540248064
Energy: 738.7958218315423
Energy: 739.0017751489922
Energy: 746.8792401982731
Energy: 738.7958218315368
Energy: 739.0017751489897
Energy: 746.7106540248064
Energy: 738.79582183154
Energy: 739.0017751489903
Energy: 746.8792401982714
Energy: 749.97487076034
Energy: 739.3378316293057
Energy: 750.0524579352037
Energy: 750.4997443898964
Energy: 739.3378316293074
Energy: 748.8918365047483
Energy: 749.9748707603436
Energy: 739.3378316293088
Energy: 750.0524579355533
Energy: 750.4997443898972
Energy: 750.8878388089521
Energy: 739.3869971941173
Energy: 750.7938152735295
Energy: 750.2103668576018
Energy: 739.3869971941185
Energy: 750.5288593413801
Energy: 750.8878388089539
Energy: 739.3869971941185
Energy: 750.7938152735333
Energy: 750.2103668572419
Energy: 742.7930729551456
Energy: 739.4673716042754
Energy: 748.0160203716423
Energy: 742.7930729551473
Energy: 739.4673716042767
Energy: 747.5654418763969
Energy: 742.7930729551481
Energy: 739.4673716042767
Energy: 748.016020371641
Energy: 742.7930729551438
Energy: 739.5741370522189
Energy: 738.6063999694313
Energy: 747.4429802303077
Energy: 739.5741370522195
Energy: 738.606399969433
Energy: 747.6456046142016
Energy: 739.5741370522184
Energy: 738.6063999694319
Energy: 747.4429802303083
Energy: 739.5741370522189
Energy: 737.9229466243956
Energy: 748.7627200326468
Energy: 750.1167335783465
Energy: 737.9229466243983
Energy: 750.4622165467936
Energy: 750.9125977004343
Energy: 737.9229466244
Energy: 748.762720032651
Energy: 750.1167335783472
Energy: 737.9229466243976
Energy: 739.7755474173154
Energy: 748.015810309576
Energy: 744.0417153332962
Energy: 739.7755474173179
Energy: 748.8245457256766
Energy: 744.0417153332962
Energy: 739.7755474173167
Energy: 748.0158103095747
Energy: 744.041715333292
Energy: 739.7755474173179
Energy: 737.6275422756501
Energy: 747.4696806814142
Energy: 738.4440908541312
Energy: 737.6275422756506
Energy: 747.5142700245914
Energy: 738.444090854132
Energy: 737.6275422756501
Energy: 747.469680681413
Energy: 738.4440908541301
Energy: 737.6275422756513
Energy: 749.6178600811331
Energy: 749.672142857961
Energy: 739.127867787291
Energy: 750.0427626524934
Energy: 749.822802050082
Energy: 739.1278677872896
Energy: 749.6178600811351
Energy: 749.6721428579616
Energy: 739.1278677872896
Energy: 750.0427626524951
Energy: 751.8884759891214
Energy: 750.3286247894434
Energy: 739.6127582148109
Energy: 752.5724572095033
Energy: 750.9517125570936
Energy: 739.6127582148102
Energy: 751.8884759891207
Energy: 750.3286247894415
Energy: 739.6127582148102
Energy: 752.5724572095052
Energy: 747.6922756827996
Energy: 743.0259961433115
Energy: 739.2753433250227
Energy: 748.7540217313151
Energy: 743.0259961433134
Energy: 739.275343325019
Energy: 747.6922756827986
Energy: 743.0259961433127
Energy: 739.2753433250203
Energy: 748.7540217313145
Energy: 745.5605605935568
Energy: 738.7958218315393
Energy: 739.0017751489903
Energy: 747.7568159935856
Energy: 738.7958218315382
Energy: 739.0017751489878
Energy: 745.5605605935574
Energy: 738.79582183154
Energy: 739.001775148991
Energy: 747.7568159935851
Energy: 748.7270206777864
Energy: 739.3378316293074
Energy: 748.7759570537012
Energy: 751.3880124838846
Energy: 739.3378316293057
Energy: 749.3810429191126
Energy: 748.7270206777896
Energy: 739.3378316293093
Energy: 748.7759570537048
Energy: 751.3880124838901
Energy: 751.1747888265878
Energy: 739.3869971941185
Energy: 750.6659892472511
Energy: 751.7786718205294
Energy: 739.3869971941173
Energy: 750.1857364421908
Energy: 751.1747888265927
Energy: 739.3869971941214
Energy: 750.6659892472542
Energy: 751.7786718205306
Energy: 742.7930729551449
Energy: 739.4673716042803
Energy: 747.9280565999316
Energy: 742.7930729551509
Energy: 739.467371604276
Energy: 748.0387885459771
Energy: 742.7930729551449
Energy: 739.4673716042803
Energy: 747.9280565999321
Energy: 742.7930729551462
Energy: 739.5741370522226
Energy: 738.6063999694339
Energy: 747.5303378839079
Energy: 739.5741370522214
Energy: 738.6063999694319
Energy: 747.4875175913472
Energy: 739.5741370522209
Energy: 738.6063999694362
Energy: 747.5303378839084
Energy: 739.5741370522214
Energy: 737.922946624399
Energy: 750.4893966490522
Energy: 750.5545253884616
Energy: 737.9229466244007
Energy: 748.7819455382308
Energy: 750.103187501308
Energy: 737.9229466243995
Energy: 750.489396649051
Energy: 750.5545253884733
Energy: 737.9229466244
Energy: 739.7755474173197
Energy: 748.9231469679492
Energy: 744.0417153332958
Energy: 739.7755474173209
Energy: 748.3070807285932
Energy: 744.041715333292
Energy: 739.7755474173222
Energy: 748.923146967952
Energy: 744.041715333292
Energy: 739.7755474173197
Energy: 737.627542275653
Energy: 747.6587756386401
Energy: 738.4440908541343
Energy: 737.6275422756524
Energy: 747.43946576528
Energy: 738.4440908541305
Energy: 737.6275422756524
Energy: 747.6587756386396
Energy: 738.4440908541324
Energy: 737.6275422756544
Energy: 749.1570137352521
Energy: 749.1084093645254
Energy: 739.1278677872933
Energy: 749.6457525709725
Energy: 749.6013958497122
Energy: 739.127867787291
Energy: 749.1570137352552
Energy: 749.1084093645271
Energy: 739.1278677872933
Energy: 749.6457525709708
Energy: 751.5989527948265
Energy: 750.0206867104098
Energy: 739.6127582148126
Energy: 752.3942616108687
Energy: 751.0495501526283
Energy: 739.6127582148109
Energy: 751.5989527948278
Energy: 750.0206867104024
Energy: 739.6127582148126
Energy: 752.3942616108748
Energy: 748.199848558392
Energy: 743.0259961433139
Energy: 739.2753433250233
Energy: 748.676058522396
Energy: 743.0259961433134
Energy: 739.2753433250203
Energy: 748.1998485583925
Energy: 743.0259961433152
Energy: 739.2753433250238
Energy: 748.6760585224008

minimum gb energy = 737.6275422756495 eV
minimum distance =  1.38666825547667 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 673.4719962834295
Energy: 679.6594634587193
Energy: 679.6622284469945
Energy: 673.7215129236147
Energy: 679.6594634587158
Energy: 679.6622284469879
Energy: 673.471996283426
Energy: 679.6594634587126
Energy: 679.6622284469879
Energy: 673.7215129236147
Energy: 680.9418936105908
Energy: 683.3401538357829
Energy: 680.2868518507964
Energy: 680.9418936105876
Energy: 683.3401538357829
Energy: 680.2868518507933
Energy: 680.9418936105876
Energy: 683.3401538369998
Energy: 680.2868518507933
Energy: 680.9418936105876
Energy: 681.9944710187832
Energy: 679.7870239986321
Energy: 681.7488688134342
Energy: 681.9944710187899
Energy: 679.7870239986288
Energy: 681.7488688134342
Energy: 681.99447101878
Energy: 679.7870239986288
Energy: 681.6075978390711
Energy: 681.99447101878
Energy: 684.4345927942335
Energy: 684.1696319001919
Energy: 683.6787097728319
Energy: 684.4345927942402
Energy: 684.1696319001919
Energy: 683.678709772999
Energy: 684.4345927942368
Energy: 684.1696319001952
Energy: 683.6787097728219
Energy: 684.4345927942302
Energy: 682.1747808142549
Energy: 681.459686947582
Energy: 679.6264123258048
Energy: 682.1747808142516
Energy: 681.4596869475786
Energy: 679.6264123258048
Energy: 682.1747808142483
Energy: 681.4596869475752
Energy: 679.6264123258048
Energy: 682.1747808142516
Energy: 680.4588138211519
Energy: 676.1712727917012
Energy: 678.4846649643789
Energy: 680.4588138211485
Energy: 676.1712727916979
Energy: 678.4846649643789
Energy: 680.4588138211485
Energy: 676.1712727916979
Energy: 678.4846649643789
Energy: 680.4588138211485
Energy: 682.8727384077746
Energy: 679.3210545732876
Energy: 679.7898932047485
Energy: 682.8953223609051
Energy: 679.3210545732808
Energy: 679.7898932047485
Energy: 682.8727384077779
Energy: 679.3210545732808
Energy: 679.7898932047452
Energy: 682.8953223609083
Energy: 681.7084292147279
Energy: 683.488178264276
Energy: 685.7821769834111
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Energy: 683.4881782642695
Energy: 685.7821769834079
Energy: 681.7084292147279
Energy: 683.488178264276
Energy: 685.7821769834079
Energy: 681.7084292147246
Energy: 679.0487854020769
Energy: 679.7607137496487
Energy: 679.5433302237374
Energy: 679.0487854020769
Energy: 679.7607137496487
Energy: 679.5433302237374
Energy: 679.0487854020769
Energy: 679.7607137496487
Energy: 679.5433302237374
Energy: 679.0487854020769
Energy: 679.8845909044286
Energy: 683.0286910090676
Energy: 683.2338653569469
Energy: 679.8845909044318
Energy: 683.0286910090746
Energy: 683.2338653569469
Energy: 679.8845909044318
Energy: 683.0286910090676
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Energy: 679.4161440295945
Energy: 679.6049286185302
Energy: 675.5960960481445
Energy: 679.4161440295945
Energy: 679.6049286185302
Energy: 675.596305736946
Energy: 679.4161440295945
Energy: 679.6049286185267
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Energy: 679.4161440295945
Energy: 683.5890730545905
Energy: 684.2174879493004
Energy: 683.8340764133487
Energy: 683.5890730545939
Energy: 684.2702805921232
Energy: 683.812358049837
Energy: 683.589073054584
Energy: 684.2174879492939
Energy: 683.8340764133453
Energy: 683.5890730545939
Energy: 679.7648296997495
Energy: 680.5956141965631
Energy: 680.3937778841139
Energy: 679.7648296997528
Energy: 680.6061923683377
Energy: 680.3779922984183
Energy: 679.7648296997495
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Energy: 679.7648296997528
Energy: 683.6534480061247
Energy: 681.1902267854902
Energy: 682.7868847119955
Energy: 683.6534480061314
Energy: 681.3347419298082
Energy: 682.7868847119854
Energy: 683.6534480061281
Energy: 681.1902267854869
Energy: 682.7868847119854
Energy: 683.6534480061346
Energy: 679.434007322766
Energy: 673.6013751612678
Energy: 679.8911542728166
Energy: 679.4340073227628
Energy: 673.723431604576
Energy: 679.8911542728166
Energy: 679.4340073227628
Energy: 673.6013751612646
Energy: 679.8911542728133
Energy: 679.434007322766
Energy: 679.6964177290208
Energy: 683.4695743027695
Energy: 682.8234806638915
Energy: 679.6964177195288
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Energy: 682.8234806638915
Energy: 679.6964177290275
Energy: 683.4695743027728
Energy: 682.8234806638915
Energy: 679.696417723347
Energy: 679.7485629803473
Energy: 680.1024855239293
Energy: 679.7855129616466
Energy: 679.7485629803473
Energy: 680.1024855239293
Energy: 679.7855129616466
Energy: 679.7485629803473
Energy: 680.102485523926
Energy: 679.7855129616466
Energy: 679.7485629803507
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Energy: 685.3388651324572
Energy: 684.2830352792897
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Energy: 684.2830352792862
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Energy: 685.3388651324503
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Energy: 679.1909538594658
Energy: 679.5472101640942
Energy: 681.9120654940583
Energy: 680.8796829713909
Energy: 679.5472101640942
Energy: 681.9120654940583
Energy: 680.8796829713942
Energy: 679.5472101640942
Energy: 681.9120654940583
Energy: 680.8796829713909
Energy: 679.5472101640942
Energy: 680.322634712962
Energy: 677.861351837991
Energy: 676.3335235909107
Energy: 680.322634712962
Energy: 677.861351837991
Energy: 676.3335235909107
Energy: 680.322634712962
Energy: 677.861351837991
Energy: 676.3335235909107
Energy: 680.322634712962
Energy: 679.7507464767107
Energy: 682.4833097238235
Energy: 679.3695633656522
Energy: 679.7507464767107
Energy: 682.4905334825723
Energy: 679.3695633656522
Energy: 679.7507464767107
Energy: 682.4833097238235
Energy: 679.3695633656489
Energy: 679.7507464767074
Energy: 684.9603947212419
Energy: 684.3037020547733
Energy: 683.8614820145384
Energy: 684.9603947212352
Energy: 684.3037020547767
Energy: 683.8614820145316
Energy: 684.9603947212383
Energy: 684.3037020547667
Energy: 683.8614820145384
Energy: 684.9603947212319
Energy: 682.4120517343935
Energy: 682.0584350994051
Energy: 679.7739365120674
Energy: 682.3223559768671
Energy: 682.0584350993981
Energy: 679.7739365120706
Energy: 681.2525656551514
Energy: 682.0584350993981
Energy: 679.7739365120674
Energy: 680.8842793805255
Energy: 682.1267772418489
Energy: 679.3384749149476
Energy: 683.3954139974228
Energy: 682.1267772418524
Energy: 679.3384749149511
Energy: 683.3954139974195
Energy: 682.1267772418524
Energy: 679.3384749149443
Energy: 683.3954139974261
Energy: 682.1267772418524
Energy: 675.4923385522138
Energy: 679.6301527721205
Energy: 679.4551466811498
Energy: 675.4923346100193
Energy: 679.6301527721205
Energy: 679.4551466811498
Energy: 675.4923385522172
Energy: 679.6301527721173
Energy: 679.4551466811465
Energy: 675.4923346100157
Energy: 680.7735708012267
Energy: 681.6695192734962
Energy: 680.7911562734847
Energy: 680.7735708012302
Energy: 681.6695192732824
Energy: 680.7911562734847
Energy: 680.7735708012302
Energy: 681.6695192734929
Energy: 680.7911562734847
Energy: 680.7735708012267
Energy: 682.5699200861189
Energy: 679.7890215133508
Energy: 682.3254235812866
Energy: 682.5591306335309
Energy: 679.7890215133508
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Energy: 685.9157119331518
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Energy: 680.7925134739788
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Energy: 683.3747172571262
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Energy: 679.8144913735545
Energy: 680.0591104837445
Energy: 679.9031629146691
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Energy: 679.8273330086757
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Energy: 679.8273330086757
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Energy: 679.8273330086724
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Energy: 682.7724347951141
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Energy: 682.7724347951075
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Energy: 681.6919043137868
Energy: 682.6562843563074
Energy: 679.8167247642247
Energy: 681.7190619601879
Energy: 682.6449554966841
Energy: 679.816724764228
Energy: 681.6919043137868
Energy: 682.6562843563041
Energy: 679.8167247642247
Energy: 681.7190619601911
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Energy: 684.1026986775628
Energy: 676.9690855031589
Energy: 683.6402574847117
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Energy: 680.6763959473666
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Energy: 680.6763959473699
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Energy: 678.2546319782226
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Energy: 679.130924515135
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Energy: 679.8777642574942
Energy: 682.7645683172165
Energy: 679.1978035567514
Energy: 679.8777642574942
Energy: 682.7645683172129
Energy: 679.1978035567514
Energy: 679.8777642574975
Energy: 682.7645683172098
Energy: 679.1978035567514
Energy: 679.8777642574942
Energy: 684.0001864772466
Energy: 683.2299452212387
Energy: 679.9223605772138
Energy: 684.0001864772534
Energy: 683.2299452212387
Energy: 679.9223605772171
Energy: 684.0001864772598
Energy: 683.2299452212355
Energy: 679.9223605772138
Energy: 684.0001864772565
Energy: 684.0490423899955
Energy: 682.5237794517269
Energy: 679.3940858782553
Energy: 683.7446856994918
Energy: 682.5237794517236
Energy: 679.3940858782586
Energy: 683.0686507065161
Energy: 682.5237794517336
Energy: 679.3940858782553
Energy: 683.068650706506
Energy: 681.7328757347552
Energy: 679.6802606798176
Energy: 683.2939817151987
Energy: 681.7328757347519
Energy: 679.6802606798143
Energy: 683.2939817151953
Energy: 681.7328757347552
Energy: 679.6802606798176
Energy: 683.2939817152022
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Energy: 678.3482007492155
Energy: 679.4748630167483
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Energy: 678.3494438703465
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Energy: 679.5445307540579
Energy: 678.3482007492189
Energy: 679.4748630167447
Energy: 679.5445307540579
Energy: 678.3494438703465
Energy: 681.9542806881277
Energy: 682.6647115413435
Energy: 682.363025438021
Energy: 681.9542806881277
Energy: 682.6647115413435
Energy: 682.363025438021
Energy: 681.9542806881277
Energy: 682.6647115413404
Energy: 682.3630254380178
Energy: 681.9542806881244
Energy: 683.5235081410563
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Energy: 683.1463426609042
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Energy: 679.8896254463838
Energy: 683.1556711791144
Energy: 683.523508141053
Energy: 679.8896254463805
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Energy: 683.9490149657685
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Energy: 682.3055066915588
Energy: 683.9490149657685
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Energy: 683.9490149657685
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Energy: 683.3486186648813
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Energy: 683.3486186648813
Energy: 681.8678461405487
Energy: 679.5063443876988
Energy: 683.3486186648913
Energy: 681.8678461405453
Energy: 679.5058889394851
Energy: 683.3486186648846
Energy: 680.9444486461102
Energy: 678.0880366052319
Energy: 678.7194133839871
Energy: 680.9444486461102
Energy: 678.0880366052319
Energy: 678.7194133839871
Energy: 680.9444486461102
Energy: 678.0880366052319
Energy: 678.7194133839871
Energy: 680.9444486461102
Energy: 683.2140760936181
Energy: 681.1774188360166
Energy: 682.7738126511887
Energy: 683.2140760936148
Energy: 681.1789574281828
Energy: 682.7731485105916
Energy: 683.214076093608
Energy: 681.1774188360132
Energy: 682.7738126511821
Energy: 683.2140760933239
Energy: 682.500149006067
Energy: 677.2609333511649
Energy: 683.2465738353119
Energy: 682.5001490060637
Energy: 677.4328544984157
Energy: 683.2465738353053
Energy: 682.500149006067
Energy: 677.2609333511649
Energy: 683.246573835292
Energy: 682.5001490060637
Energy: 680.2344197256236
Energy: 677.8593399796649
Energy: 680.3495981402615
Energy: 680.2344197256203
Energy: 678.0098641333949
Energy: 680.3495981402649
Energy: 680.2344197256203
Energy: 677.8593399796616
Energy: 680.3495981402615
Energy: 680.2344197256203
Energy: 679.9529455254898
Energy: 679.4055249463614
Energy: 682.9478826172137
Energy: 679.9529455254932
Energy: 679.4055249463614
Energy: 682.9478826172069
Energy: 679.9529455254898
Energy: 679.4055249463614
Energy: 682.9478826172036
Energy: 679.9529455254898
Energy: 678.9255537879542
Energy: 679.8213010086655
Energy: 679.5778842025891
Energy: 678.9255537879542
Energy: 679.8213010086655
Energy: 679.5778842025891
Energy: 678.9255537879575
Energy: 679.8213010086589
Energy: 679.5778842025891
Energy: 678.9255537879542
Energy: 679.5287420555801
Energy: 684.4795479640096
Energy: 683.8173035118813
Energy: 679.5287420555766
Energy: 684.4795479640028
Energy: 683.8173035118813
Energy: 679.5287420555801
Energy: 684.4795479640096
Energy: 683.8173035118813
Energy: 679.5287420555766

minimum gb energy = 673.471996283426 eV
minimum distance =  1.33515358287321 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 614.651411525223
Energy: 618.3763420702286
Energy: 618.4006491285488
Energy: 614.651411525223
Energy: 618.3763420702242
Energy: 618.4006491285488
Energy: 614.6514115252253
Energy: 618.3763420702286
Energy: 618.4006491285533
Energy: 614.6514115252253
Energy: 615.7148272130313
Energy: 620.8510577451648
Energy: 617.7129460706875
Energy: 615.7148272130291
Energy: 620.8510577451648
Energy: 617.7129460706875
Energy: 615.7148272130313
Energy: 620.8510577451648
Energy: 617.7129460706897
Energy: 615.7148272130335
Energy: 621.0725393602481
Energy: 614.7045013753946
Energy: 620.4447213735034
Energy: 618.9494737407935
Energy: 614.7045013753946
Energy: 620.4447213735012
Energy: 618.9494737407935
Energy: 614.7045013753946
Energy: 621.2943418277729
Energy: 618.9494737407957
Energy: 618.8321914172212
Energy: 620.490957621289
Energy: 615.3643045081623
Energy: 618.8321914172169
Energy: 620.4909576212913
Energy: 615.3643045081623
Energy: 618.8321914172212
Energy: 620.4909576212913
Energy: 615.3643045081644
Energy: 618.8321914172212
Energy: 617.7312094638825
Energy: 617.6613714497607
Energy: 620.5244041030822
Energy: 617.7312094638803
Energy: 617.6613714497585
Energy: 620.5244041030844
Energy: 617.7312094638825
Energy: 617.6613714497629
Energy: 620.5244041030866
Energy: 617.7312094638825
Energy: 620.4374555035338
Energy: 619.2561590313751
Energy: 615.0835492679219
Energy: 620.4374555035315
Energy: 619.2561590313728
Energy: 615.0835492679219
Energy: 620.4374555035338
Energy: 619.2561590313751
Energy: 615.0835492679241
Energy: 620.4374555035338
Energy: 615.0496562935692
Energy: 623.3634222227739
Energy: 620.3239049857666
Energy: 615.0496562935692
Energy: 623.3634222227762
Energy: 619.7642061819937
Energy: 615.0496562935692
Energy: 621.8978926300381
Energy: 619.764206181998
Energy: 615.0496562935692
Energy: 614.626774719057
Energy: 615.9790369536754
Energy: 617.7894711330385
Energy: 614.6267747190549
Energy: 615.9790369536754
Energy: 617.7894711330385
Energy: 614.626774719057
Energy: 615.9790369536777
Energy: 617.7894711330408
Energy: 614.626774719057
Energy: 619.4620650722894
Energy: 618.6421311476013
Energy: 618.1754661062678
Energy: 619.4620650722873
Energy: 618.6421311475991
Energy: 618.1754661062678
Energy: 619.4620650722916
Energy: 618.6421311476035
Energy: 618.17546610627
Energy: 619.4620650722894

minimum gb energy = 614.6267747190549 eV
minimum distance =  1.40817943423605 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1113.6162525076118
Energy: 1115.9263201057126
Energy: 1115.8624387801863
Energy: 1113.7785434068696
Energy: 1115.9263201057126
Energy: 1115.8624387801822
Energy: 1113.6162525075995
Energy: 1115.9263201057086
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Energy: 1113.7785434068655
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Energy: 1115.8985749607805
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Energy: 1115.8985749607766
Energy: 1119.3587956936674
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Energy: 1115.8985749607766
Energy: 1118.8806450766856
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Energy: 1118.1403290229996
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Energy: 1118.0096158169408
Energy: 1119.6333872352766
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Energy: 1119.6333872352845
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Energy: 1115.3584664116568
Energy: 1117.5433379490632
Energy: 1119.2518855243773
Energy: 1115.3584664116568
Energy: 1114.5141596238507
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Energy: 1119.1330362897643
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Energy: 1114.3008164829885
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Energy: 1114.7041994983429
Energy: 1119.217021310955
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Energy: 1118.9735956966372
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Energy: 1116.4942640784604
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Energy: 1118.3635896589108
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Energy: 1119.5005835683185
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Energy: 1115.3827122258542
Energy: 1116.519877166712
Energy: 1116.253500045747
Energy: 1115.38271222585
Energy: 1116.5198771667078
Energy: 1116.2535000457428
Energy: 1115.3827122258458
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Energy: 1116.6290271218202
Energy: 1119.345108825878
Energy: 1118.2933746626247
Energy: 1116.629027121824
Energy: 1119.3450169067748
Energy: 1118.0088495247685
Energy: 1116.6290271218202
Energy: 1119.345108825874
Energy: 1117.4387143756974
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Energy: 1117.556515413348
Energy: 1113.0025641459076
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Energy: 1117.556515413348
Energy: 1113.0025641459076
Energy: 1117.7110369579204
Energy: 1117.556515413344
Energy: 1113.0025641459076
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Energy: 1118.1967639783486
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Energy: 1113.1155116426332
Energy: 1118.1967639783445
Energy: 1118.4160501003798
Energy: 1113.1155116426332
Energy: 1118.1967639783445
Energy: 1118.4160501003716
Energy: 1113.1155116426332
Energy: 1118.1967639783445
Energy: 1114.6071649189578
Energy: 1115.0246645210977
Energy: 1119.5999509627388
Energy: 1114.6071649189498
Energy: 1115.0246645210937
Energy: 1119.599950962755
Energy: 1114.6071649189455
Energy: 1115.0246645210898
Energy: 1119.5999509627427
Energy: 1114.6071649189455
Energy: 1116.2700608539155
Energy: 1117.6717851639473
Energy: 1116.7908193007693
Energy: 1116.2700608539117
Energy: 1117.6717851639555
Energy: 1116.7908193007654
Energy: 1116.2700608539074
Energy: 1117.6717851639473
Energy: 1116.7908193007693
Energy: 1116.2700608539033
Energy: 1116.7043327223298
Energy: 1119.8455424212182
Energy: 1118.1233969237871
Energy: 1116.7043327223257
Energy: 1119.8455424212261
Energy: 1118.1233969237953
Energy: 1116.7043327223214
Energy: 1119.8455424212261
Energy: 1118.1233969237953
Energy: 1116.7043327223214
Energy: 1115.9049314967313
Energy: 1112.9516215729534
Energy: 1116.4239244208309
Energy: 1115.9049314967274
Energy: 1112.9516215729534
Energy: 1116.4239244208268
Energy: 1115.904931496719
Energy: 1112.9516215729534
Energy: 1116.4239244208268
Energy: 1115.904931496719
Energy: 1117.9162135224685
Energy: 1119.2063167574902
Energy: 1116.599084707762
Energy: 1117.9162135224644
Energy: 1119.206316753491
Energy: 1116.599084707762
Energy: 1117.9162135224685
Energy: 1119.206316757494
Energy: 1116.5990847077578
Energy: 1117.9162135224726
Energy: 1114.640944995126
Energy: 1115.2830266009105
Energy: 1118.8496635862457
Energy: 1114.6409449951218
Energy: 1115.2830266009148
Energy: 1118.8496635862414
Energy: 1114.6409449951177
Energy: 1115.2830266009064
Energy: 1118.8496635862414
Energy: 1114.6409449951136
Energy: 1117.4535334122338
Energy: 1115.355957628105
Energy: 1115.9574660203427
Energy: 1117.4535334122295
Energy: 1115.355957628105
Energy: 1115.9574660203427
Energy: 1117.4535334122256
Energy: 1115.355957628105
Energy: 1115.9574660203386
Energy: 1117.4535334122256
Energy: 1117.0883926635831
Energy: 1119.5228717339076
Energy: 1117.3254969768298
Energy: 1117.088392663575
Energy: 1119.522871733916
Energy: 1117.3254969768257
Energy: 1117.0883926635709
Energy: 1119.522871733916
Energy: 1117.3254969768257
Energy: 1117.0883926635709
Energy: 1117.6404956094607
Energy: 1115.3720444011783
Energy: 1116.2992369818905
Energy: 1117.6404956094525
Energy: 1115.3720444011578
Energy: 1116.2992369818862
Energy: 1117.6404956094525
Energy: 1115.372044401162
Energy: 1116.2992369818862
Energy: 1117.6404956094484
Energy: 1119.2874386268898
Energy: 1114.7270326530263
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minimum gb energy = 1112.7779865366692 eV
minimum distance =  1.44598963227204 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 684.8995045197271
Energy: 678.7529461703316
Energy: 686.5795311917791
Energy: 684.9941066174302
Energy: 678.7529461703306
Energy: 686.5795311917809
Energy: 684.9941066174307
Energy: 678.7529461703297
Energy: 686.5795311917778
Energy: 684.9941066174292
Energy: 678.7529461703301
Energy: 686.2591503800685
Energy: 686.2618305877004
Energy: 683.0625499838229
Energy: 686.2591503800646
Energy: 686.2618305876989
Energy: 683.0625499838229
Energy: 686.2591503800667
Energy: 686.2618305877024
Energy: 683.0625499838219
Energy: 686.2591503800671

minimum gb energy = 677.3206102614831 eV
minimum distance =  1.39521311910841 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 624.2681123569574
Energy: 625.3704053158502
Energy: 625.4081576193134
Energy: 624.2681123569556
Energy: 625.3704053158502
Energy: 625.4081576193153
Energy: 624.2681123569556
Energy: 625.3704053158485
Energy: 625.4081576193116
Energy: 624.2681123569566
Energy: 625.3349497283276
Energy: 623.4743414636557
Energy: 624.7669344258302
Energy: 625.3349497283276
Energy: 623.4743414636539
Energy: 624.766934425831
Energy: 625.3349497283258
Energy: 623.4743414636557
Energy: 624.766934425831
Energy: 625.3349497283267
Energy: 626.8212303994684
Energy: 626.5927105176581
Energy: 632.3042993802912
Energy: 626.8212303994684
Energy: 626.5927105176572
Energy: 632.3042993802894
Energy: 626.8212303994666
Energy: 626.5927105176563
Energy: 632.3042993802886
Energy: 626.8212303994657
Energy: 632.254257988097
Energy: 626.6184262155361
Energy: 626.779457077056
Energy: 632.2542579880952
Energy: 626.6184262155352
Energy: 626.7794570770569
Energy: 632.2542579880961
Energy: 626.6184262155343
Energy: 626.779457077056
Energy: 632.2542579880961
Energy: 624.7706169371962
Energy: 623.4757266160445
Energy: 625.3144251175003
Energy: 624.770616937197
Energy: 623.4757266160456
Energy: 625.3144251174992
Energy: 624.770616937197
Energy: 623.4757266160445
Energy: 625.3144251174992
Energy: 624.770616937197
Energy: 625.3704053158513
Energy: 625.408157619318
Energy: 624.2681123569585
Energy: 625.3704053158513
Energy: 625.4081576193171
Energy: 624.2681123569593
Energy: 625.3704053158502
Energy: 625.4081576193145
Energy: 624.2681123569574
Energy: 625.3704053158513
Energy: 623.4743414636531
Energy: 624.7669344258338
Energy: 625.3349497283302
Energy: 623.4743414636549
Energy: 624.766934425832
Energy: 625.3349497283294
Energy: 623.4743414636531
Energy: 624.766934425831
Energy: 625.3349497283284
Energy: 623.4743414636539
Energy: 626.5927105176572
Energy: 632.3042993802922
Energy: 626.8212303994702
Energy: 626.5927105176589
Energy: 632.3042993802922
Energy: 626.8212303994684
Energy: 626.5927105176563
Energy: 632.3042993802876
Energy: 626.8212303994684
Energy: 626.5927105176581
Energy: 626.618426215537
Energy: 626.7794570770578
Energy: 632.254257988097
Energy: 626.6184262155361
Energy: 626.7794570770569
Energy: 632.2542579880961
Energy: 626.6184262155352
Energy: 626.779457077056
Energy: 632.2542579880961
Energy: 626.6184262155352
Energy: 623.4757266160456
Energy: 625.3144251174992
Energy: 624.7706169371962
Energy: 623.4757266160445
Energy: 625.3144251174992
Energy: 624.7706169371962
Energy: 623.4757266160456
Energy: 625.3144251174974
Energy: 624.7706169371952
Energy: 623.4757266160445
Energy: 625.4081576193153
Energy: 624.2681123569585
Energy: 625.3704053158513
Energy: 625.4081576193162
Energy: 624.2681123569585
Energy: 625.3704053158502
Energy: 625.4081576193145
Energy: 624.2681123569566
Energy: 625.3704053158502
Energy: 625.4081576193153
Energy: 624.766934425831
Energy: 625.3349497283294
Energy: 623.4743414636521
Energy: 624.766934425831
Energy: 625.3349497283284
Energy: 623.4743414636549
Energy: 624.7669344258293
Energy: 625.3349497283258
Energy: 623.4743414636531
Energy: 624.766934425831
Energy: 632.3042993802922
Energy: 626.8212303994692
Energy: 626.5927105176563
Energy: 632.3042993802922
Energy: 626.8212303994692
Energy: 626.5927105176572
Energy: 632.3042993802904
Energy: 626.8212303994666
Energy: 626.5927105176545
Energy: 632.3042993802894
Energy: 626.7794570770551
Energy: 632.2542579880961
Energy: 626.6184262155343
Energy: 626.779457077056
Energy: 632.2542579880952
Energy: 626.6184262155334
Energy: 626.7794570770551
Energy: 632.2542579880934
Energy: 626.6184262155325
Energy: 626.7794570770569
Energy: 625.3144251175003
Energy: 624.7706169371962
Energy: 623.4757266160445
Energy: 625.3144251174984
Energy: 624.7706169371952
Energy: 623.4757266160445
Energy: 625.3144251174984
Energy: 624.7706169371944
Energy: 623.4757266160437
Energy: 625.3144251174992
Energy: 624.2681123569585
Energy: 625.3704053158502
Energy: 625.4081576193145
Energy: 624.2681123569574
Energy: 625.3704053158502
Energy: 625.4081576193162
Energy: 624.2681123569574
Energy: 625.3704053158485
Energy: 625.4081576193126
Energy: 624.2681123569585
Energy: 625.3349497283294
Energy: 623.4743414636567
Energy: 624.7669344258302
Energy: 625.3349497283284
Energy: 623.4743414636531
Energy: 624.766934425831
Energy: 625.3349497283276
Energy: 623.4743414636557
Energy: 624.7669344258293
Energy: 625.3349497283267
Energy: 626.8212303994684
Energy: 626.5927105176572
Energy: 632.3042993802904
Energy: 626.8212303994684
Energy: 626.5927105176563
Energy: 632.3042993802894
Energy: 626.8212303994674
Energy: 626.5927105176536
Energy: 632.3042993802886
Energy: 626.8212303994666
Energy: 632.254257988098
Energy: 626.6184262155343
Energy: 626.779457077056
Energy: 632.2542579880961
Energy: 626.6184262155334
Energy: 626.7794570770578
Energy: 632.2542579880961
Energy: 626.6184262155325
Energy: 626.7794570770551
Energy: 632.254257988097
Energy: 624.7706169371962
Energy: 623.4757266160445
Energy: 625.3144251174984
Energy: 624.770616937197
Energy: 623.4757266160456
Energy: 625.3144251174984
Energy: 624.770616937197
Energy: 623.4757266160445
Energy: 625.3144251174984
Energy: 624.7706169371962
Energy: 625.3704053158513
Energy: 625.4081576193171
Energy: 624.2681123569585
Energy: 625.3704053158513
Energy: 625.4081576193162
Energy: 624.2681123569593
Energy: 625.3704053158502
Energy: 625.4081576193153
Energy: 624.2681123569574
Energy: 625.3704053158513
Energy: 623.4743414636521
Energy: 624.7669344258328
Energy: 625.3349497283294
Energy: 623.4743414636557
Energy: 624.766934425832
Energy: 625.3349497283294
Energy: 623.4743414636539
Energy: 624.766934425831
Energy: 625.3349497283276
Energy: 623.4743414636539

minimum gb energy = 623.4743414636521 eV
minimum distance =  1.62602555084697 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 830.7681415765989
Energy: 828.3575646986408
Energy: 828.0610016520532
Energy: 831.2473402966963
Energy: 828.3575646986408
Energy: 828.0610016520532
Energy: 830.7681415765949
Energy: 828.357564698645
Energy: 828.0610016520532
Energy: 831.2473402967046
Energy: 833.021478556388
Energy: 837.2360004320814
Energy: 837.5378625488762
Energy: 833.021478556384
Energy: 837.2360004320814
Energy: 837.5378625488638
Energy: 833.021478556384
Energy: 837.2360004320814
Energy: 837.5378625488638
Energy: 833.021478556384
Energy: 833.403296025481
Energy: 836.6291493929637
Energy: 836.7896456000485
Energy: 833.403296025477
Energy: 836.6291493929597
Energy: 836.7896456000485
Energy: 833.403296025477
Energy: 836.6291493929557
Energy: 836.7896456000485
Energy: 833.403296025477
Energy: 835.6611275792301
Energy: 836.0979964813062
Energy: 836.012857396034
Energy: 835.6611275792301
Energy: 836.0979964813102
Energy: 836.012857396034
Energy: 835.6611275792301
Energy: 836.0979964813185
Energy: 836.0128573960301
Energy: 835.6611275792259
Energy: 838.162558140952
Energy: 837.5216908548134
Energy: 833.7354198911307
Energy: 838.1625581405957
Energy: 837.5216908548174
Energy: 833.7354198911307
Energy: 838.1625581409437
Energy: 837.5216908548216
Energy: 833.7354198911266
Energy: 838.162558140956
Energy: 831.8705725162231
Energy: 833.2673769333244
Energy: 834.327317016583
Energy: 831.8705725162191
Energy: 833.2673769333244
Energy: 834.327317016583
Energy: 831.870572516215
Energy: 833.2673769333204
Energy: 834.327317016583
Energy: 831.8705725162191
Energy: 836.7634084606055
Energy: 836.0584874574035
Energy: 833.3592658998085
Energy: 836.7534443832029
Energy: 836.0584874573996
Energy: 833.3592658998044
Energy: 836.7634084606055
Energy: 836.0584874573954
Energy: 833.3592658998044
Energy: 836.7534443832029
Energy: 837.6140671280709
Energy: 836.1509606717609
Energy: 834.4657649537878
Energy: 837.6140671280629
Energy: 836.1509606717609
Energy: 834.4657649537878
Energy: 837.6140671280629
Energy: 836.1509606717609
Energy: 834.4657649537836
Energy: 837.6140671280629
Energy: 832.5774310363719
Energy: 831.3480713252047
Energy: 831.2800917779756
Energy: 832.5774310363678
Energy: 831.7788291505691
Energy: 831.7002432183596
Energy: 832.5774310363678
Energy: 831.3480713252005
Energy: 831.2800917779714
Energy: 832.5774310363678
Energy: 835.702882891624
Energy: 831.5211266724513
Energy: 836.5801204613597
Energy: 835.702882891624
Energy: 831.5211266724513
Energy: 836.649057866749
Energy: 835.702882891624
Energy: 831.5211266724472
Energy: 836.5801204613557
Energy: 835.7028828916199
Energy: 830.7284408956542
Energy: 836.3136813401966
Energy: 830.0007277157019
Energy: 830.7284408956501
Energy: 836.3136813401925
Energy: 830.0007277157019
Energy: 830.7284408956501
Energy: 836.3136813401966
Energy: 830.0007277157019
Energy: 830.7284408956501
Energy: 835.0794027886445
Energy: 835.5134574105227
Energy: 834.9061173711539
Energy: 835.0794027886445
Energy: 835.5232457063995
Energy: 834.9061173711497
Energy: 835.0794027886488
Energy: 835.5134574105227
Energy: 834.9061173711497
Energy: 835.0794027886488
Energy: 839.3483178418106
Energy: 836.4243530075496
Energy: 837.4954901685632
Energy: 839.3483178418148
Energy: 836.4243530075536
Energy: 837.4954901697055
Energy: 839.3483178418106
Energy: 836.4243530075536
Energy: 837.4954901685509
Energy: 839.3483178418064
Energy: 836.9815303861382
Energy: 837.0106291837928
Energy: 832.7853612902875
Energy: 836.981530386126
Energy: 837.0106291837969
Energy: 832.7853612902834
Energy: 836.981530386134
Energy: 837.0106291837888
Energy: 832.7853612902834
Energy: 836.98153038613
Energy: 834.6223489844319
Energy: 835.0244164821936
Energy: 830.241818506546
Energy: 834.6223489844319
Energy: 835.0244164821936
Energy: 830.2352640891269
Energy: 834.6223489844319
Energy: 835.0244164821936
Energy: 830.241818506546
Energy: 834.622348984428
Energy: 835.2481628706975
Energy: 832.8703885196576
Energy: 832.0674310540403
Energy: 835.2481628706975
Energy: 832.8703885196535
Energy: 832.0674310540363
Energy: 835.2481628706932
Energy: 832.8703885196535
Energy: 832.0674310540403
Energy: 835.2481628706932
Energy: 831.2562756638189
Energy: 830.6762277264636
Energy: 830.8387547141738
Energy: 831.2562756638189
Energy: 830.6762277264595
Energy: 830.8387547141738
Energy: 831.2562756638189
Energy: 830.6762277264595
Energy: 830.8387547141697
Energy: 831.2562756638189
Energy: 827.4672162182362
Energy: 837.4570504858261
Energy: 837.5120456089552
Energy: 827.4672162182362
Energy: 837.457050485818
Energy: 837.5120456089469
Energy: 827.4672162182362
Energy: 837.4570504858139
Energy: 837.5120456089469
Energy: 827.4672162182362
Energy: 835.3214920430166
Energy: 832.7416888812519
Energy: 835.1669042529894
Energy: 835.3214920430166
Energy: 832.7416888812519
Energy: 835.1669042529894
Energy: 835.3214920430125
Energy: 832.7416888812477
Energy: 835.1669042529854
Energy: 835.3214920430125
Energy: 832.5736371390005
Energy: 830.4952255599571
Energy: 833.0134846230462
Energy: 832.5736371390005
Energy: 830.4952255599571
Energy: 833.0134846230462
Energy: 832.5736371389964
Energy: 830.4952255599571
Energy: 833.0134846230503
Energy: 832.5736371389964
Energy: 836.4165671454965
Energy: 837.7087508455097
Energy: 830.0642632191874
Energy: 836.4165671454965
Energy: 837.7087508455097
Energy: 830.0642632191874
Energy: 836.41656714548
Energy: 837.7087508455056
Energy: 830.0642632191874
Energy: 836.416567145484
Energy: 831.8176315855625
Energy: 831.8854463251258
Energy: 834.4703267255778
Energy: 831.8176315855625
Energy: 831.8854463251258
Energy: 834.4703267255819
Energy: 831.8176315855625
Energy: 831.8854463251216
Energy: 834.4703267255859
Energy: 831.8176315855584
Energy: 836.3102387207263
Energy: 836.7530663197102
Energy: 833.8775078653717
Energy: 836.298189022171
Energy: 836.7905918039595
Energy: 833.8775078653678
Energy: 836.3102387207263
Energy: 836.7530663197022
Energy: 833.8775078653678
Energy: 836.2981890221627
Energy: 839.2520308531389
Energy: 840.823822673177
Energy: 838.2464565288261
Energy: 839.252030853143
Energy: 840.8238226734146
Energy: 838.2464565288261
Energy: 839.2520308531389
Energy: 840.823822673177
Energy: 838.2464565288261
Energy: 839.2520308531389
Energy: 836.4553952190156
Energy: 830.9559570163999
Energy: 830.8437186366529
Energy: 836.4553952190156
Energy: 830.9559570163999
Energy: 830.8437186366529
Energy: 836.4553952190156
Energy: 830.9559570163999
Energy: 830.8437186366571
Energy: 836.4553952190197
Energy: 835.0358047555226
Energy: 834.0934610280716
Energy: 837.0512031254156
Energy: 835.0369988102744
Energy: 834.0934610280716
Energy: 836.7278994439988
Energy: 835.0358047555185
Energy: 834.0934610280676
Energy: 837.0512031254115
Energy: 835.0369988102744
Energy: 828.5311336344354
Energy: 835.6042774262089
Energy: 829.9148412342751
Energy: 828.5311336344354
Energy: 835.6042774262089
Energy: 829.9148412342751
Energy: 828.5311336344354
Energy: 835.6042774262089
Energy: 829.9148412342751
Energy: 828.5311336344354
Energy: 834.6535144408787
Energy: 832.2694955173926
Energy: 834.3451388785743
Energy: 834.6535144408787
Energy: 832.2694955173845
Energy: 834.3451388785743
Energy: 834.6535144408787
Energy: 832.2694955173845
Energy: 834.3451388785743
Energy: 834.6535144408787
Energy: 842.5397233603471
Energy: 836.5460092235272
Energy: 839.8037478954095
Energy: 842.5425951886763
Energy: 836.5258908464422
Energy: 839.8037478954135
Energy: 842.5397233612603
Energy: 836.5460092235189
Energy: 839.8037478954095
Energy: 842.5425951886597
Energy: 832.3198989723618
Energy: 835.8923384865228
Energy: 836.0235058173351
Energy: 832.3198989723576
Energy: 835.8923384865186
Energy: 836.0235058173351
Energy: 832.3198989723618
Energy: 835.8923384865186
Energy: 836.0235058173392
Energy: 832.3198989723618
Energy: 834.7130186200415
Energy: 833.3982372691656
Energy: 829.8917588162154
Energy: 834.7130186200415
Energy: 833.3982372691656
Energy: 829.891526225968
Energy: 834.7130186200415
Energy: 833.3982372691615
Energy: 829.8917588162194
Energy: 834.7130186200371
Energy: 836.4622618301247
Energy: 832.2599971795379
Energy: 834.7873058215636
Energy: 836.4622618301247
Energy: 832.2599971795339
Energy: 834.7873058215678
Energy: 836.4622618301247
Energy: 832.2599971795339
Energy: 834.7873058215554
Energy: 836.4622618301247
Energy: 830.9160573013504
Energy: 836.1533017042487
Energy: 836.4752358756115
Energy: 831.4877955973293
Energy: 836.1533017042528
Energy: 836.4752358756115
Energy: 830.9160573013463
Energy: 836.1533017042528
Energy: 836.4752358756073
Energy: 831.4877955973334
Energy: 831.3891125044621
Energy: 837.3158186787739
Energy: 837.3229448294661
Energy: 832.123056198948
Energy: 837.31581867877
Energy: 836.7844876276886
Energy: 831.3891125044579
Energy: 837.3158186787739
Energy: 837.322944829462
Energy: 832.123056198948
Energy: 837.1078227282877
Energy: 830.0661680085984
Energy: 832.0579348260973
Energy: 837.1078227282877
Energy: 830.0661680085944
Energy: 832.0579348261016
Energy: 837.1078227282877
Energy: 830.0661680085944
Energy: 832.0579348261016
Energy: 837.1078227282835
Energy: 834.1623087237492
Energy: 829.8485824951745
Energy: 834.054472291678
Energy: 834.1623087237534
Energy: 829.8485824951703
Energy: 834.054472291678
Energy: 834.1623087237534
Energy: 829.8485824951703
Energy: 834.054472291678
Energy: 834.1623087237492
Energy: 832.4297380961525
Energy: 834.7800017175945
Energy: 836.069838653207
Energy: 832.4297380961484
Energy: 834.7800017162718
Energy: 836.0426757538132
Energy: 832.4297380961484
Energy: 834.7800017178812
Energy: 836.0698386532027
Energy: 832.4297380961484
Energy: 838.724710482224
Energy: 840.1725726753367
Energy: 835.5214389167127
Energy: 838.724710482224
Energy: 840.1725726753409
Energy: 835.5214389167127
Energy: 838.7247104822117
Energy: 840.1725726753286
Energy: 835.5214389167168
Energy: 838.724710482216
Energy: 835.6297462839506
Energy: 835.5249100788069
Energy: 833.6540174765631
Energy: 835.6297462839506
Energy: 835.5249100788029
Energy: 833.654017476559
Energy: 835.6297462839506
Energy: 835.5249100787988
Energy: 833.654017476559
Energy: 835.6297462839506
Energy: 834.2742299816939
Energy: 837.1212157359649
Energy: 836.6083593582243
Energy: 834.2742299816898
Energy: 837.121215735969
Energy: 836.608359358216
Energy: 834.2742299816898
Energy: 837.1212157359649
Energy: 836.608359358216
Energy: 834.2742299816856
Energy: 835.6108063301975
Energy: 831.5083500074637
Energy: 830.5899560911961
Energy: 835.6108063301934
Energy: 831.5083500074595
Energy: 830.5899560911961
Energy: 835.6108063301934
Energy: 831.5083500074595
Energy: 830.5899560911961
Energy: 835.6108063301975
Energy: 831.9725021085324
Energy: 832.4410466096367
Energy: 832.0502555885795
Energy: 831.9725021085283
Energy: 832.8292200526822
Energy: 832.3930204398148
Energy: 831.9725021085283
Energy: 832.4410466096285
Energy: 832.0502555885795
Energy: 831.9725021085324
Energy: 834.072262491925
Energy: 836.8379063250346
Energy: 835.2317056979864
Energy: 834.072262491925
Energy: 836.8379063250304
Energy: 835.2317056979864
Energy: 834.072262491925
Energy: 836.8379063250262
Energy: 835.2317056979825
Energy: 834.072262491925
Energy: 836.7366863669678
Energy: 827.3030499020284
Energy: 836.5889247745954
Energy: 836.7366863669678
Energy: 827.3030499020243
Energy: 836.5889247745831
Energy: 836.7366863669597
Energy: 827.3030499020243
Energy: 836.5889247745913
Energy: 836.7366863669597
Energy: 833.4798935617808
Energy: 834.9007007912251
Energy: 832.9694964409792
Energy: 833.4798935617767
Energy: 834.8959822384145
Energy: 832.969496440975
Energy: 833.4798935617767
Energy: 834.9007007912168
Energy: 832.969496440975
Energy: 833.4798935617808
Energy: 833.08503649939
Energy: 834.5921722085993
Energy: 831.8909506414399
Energy: 833.08503649939
Energy: 834.5921722085951
Energy: 831.8909506414357
Energy: 833.0850364993858
Energy: 834.5921722085913
Energy: 831.8909506414357
Energy: 833.08503649939
Energy: 835.1848940371317
Energy: 835.2669101080053
Energy: 830.1078980982783
Energy: 835.1848940371278
Energy: 835.266910107997
Energy: 830.1094504704338
Energy: 835.1848940371359
Energy: 835.2669101080011
Energy: 830.1078980982741
Energy: 835.1848940371359
Energy: 837.4790463627731
Energy: 837.9206020263016
Energy: 833.4748377159506
Energy: 837.4790463627731
Energy: 837.9206020262975
Energy: 833.4748377159465
Energy: 837.4790463627731
Energy: 837.9206020263016
Energy: 833.4748377159506
Energy: 837.4790463627731
Energy: 833.1237346525816
Energy: 836.503519244565
Energy: 836.0609666778015
Energy: 833.1237346525816
Energy: 836.5035192445691
Energy: 836.0609666778015
Energy: 833.1237346525774
Energy: 836.503519244561
Energy: 836.0609666778015
Energy: 833.1237346525774

minimum gb energy = 827.3030499020243 eV
minimum distance =  1.2942608193738 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 910.5248043000377
Energy: 911.720557165798
Energy: 911.7388614582518
Energy: 910.5248043000391
Energy: 911.720557165798
Energy: 911.7388614582502
Energy: 910.5248043000377
Energy: 911.7205571657968
Energy: 911.7388614582518
Energy: 910.5248043000391
Energy: 916.5077629642075
Energy: 917.9057831678094
Energy: 916.4162490228814
Energy: 916.5077629642075
Energy: 917.9057831678094
Energy: 916.4162490228814
Energy: 916.5077629642062
Energy: 917.9057831678065
Energy: 916.4162490228814
Energy: 916.5077629642105
Energy: 922.6995498609385
Energy: 920.1647308512884
Energy: 924.1612881667277
Energy: 921.4638948093645
Energy: 920.1647308512912
Energy: 924.1612881667277
Energy: 919.5673648072068
Energy: 920.1647308512838
Energy: 922.9647892544796
Energy: 919.5673648072158
Energy: 912.4141441837846
Energy: 916.8993824165956
Energy: 912.6711888988914
Energy: 912.4141441837833
Energy: 916.8993824165956
Energy: 912.6711888988943
Energy: 912.4141441837833
Energy: 916.8993824165925
Energy: 912.6711888988931
Energy: 912.4141441837846
Energy: 914.2170542863487
Energy: 914.3346135632089
Energy: 912.3275957727824
Energy: 914.2170542863472
Energy: 914.3346135632074
Energy: 912.327595772784
Energy: 914.2170542863487
Energy: 914.3346135632058
Energy: 912.327595772784
Energy: 914.2170542863502
Energy: 914.2872977868241
Energy: 914.681412935066
Energy: 917.2446816522702
Energy: 914.2872977868241
Energy: 914.6814129350644
Energy: 917.2446816522702
Energy: 914.287297786821
Energy: 914.68141293506
Energy: 917.2446816522702
Energy: 914.2872977868257
Energy: 918.0576268947057
Energy: 917.9004983917642
Energy: 919.3412371613906
Energy: 918.0576268947027
Energy: 916.4337975682109
Energy: 919.3412371613875
Energy: 918.0576268946982
Energy: 916.4337975682066
Energy: 919.3412371613875
Energy: 917.3801461463835
Energy: 917.2034372583103
Energy: 918.0068408299664
Energy: 916.922441214112
Energy: 917.2034372583103
Energy: 918.0068408299634
Energy: 916.9224412141151
Energy: 917.2034372583089
Energy: 918.0068408299618
Energy: 916.922441214112
Energy: 917.2034372583103
Energy: 911.2911719030245
Energy: 915.8738225380904
Energy: 915.571069044425
Energy: 911.291171903026
Energy: 915.873822538089
Energy: 915.5710690444236
Energy: 911.2911719030229
Energy: 915.873822538086
Energy: 915.571069044425
Energy: 911.2911719030274
Energy: 913.88819745714
Energy: 915.0352112945013
Energy: 913.9475490598278
Energy: 913.8881974571412
Energy: 915.0352112944997
Energy: 913.9475490598261
Energy: 913.8881974571384
Energy: 915.0352112944967
Energy: 913.9475490598261
Energy: 913.8881974571412
Energy: 918.8785297459464
Energy: 918.9525123444037
Energy: 920.2629242676401
Energy: 918.878529745942
Energy: 918.9525123444008
Energy: 920.2629242676356
Energy: 918.8785297459434
Energy: 919.2329913355192
Energy: 919.2203485382532
Energy: 918.8785297459434
Energy: 915.9756188280113
Energy: 917.367207529329
Energy: 915.9135725732161
Energy: 915.97561882801
Energy: 917.3672075293262
Energy: 915.9135725732191
Energy: 915.9756188280082
Energy: 917.3672075293247
Energy: 915.9135725732161
Energy: 915.9756188280129
Energy: 915.6450715237469
Energy: 911.2433225571701
Energy: 915.0960607811579
Energy: 915.6450715237469
Energy: 911.2433225571701
Energy: 915.0960607811566
Energy: 915.6450715237455
Energy: 911.2433225571671
Energy: 915.0960607811566
Energy: 915.6450715237485
Energy: 919.3527174275417
Energy: 918.6742869855927
Energy: 918.2973845426978
Energy: 919.3527174275388
Energy: 918.6742869855971
Energy: 918.2973845426994
Energy: 919.3527174275404
Energy: 918.6742869855912
Energy: 918.2973845426964
Energy: 919.3527174275417

minimum gb energy = 910.5248043000377 eV
minimum distance =  1.35656021540377 Angstroms
sigma value = 33