Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
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=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.506658067434188e-19, 4.98584551087728e-20, -1.75608172146204e-19, -3.97040198201442e-19, -4.68402747656436e-19, -3.6140618768464803e-19, -4.9902194530881e-19, -6.79124222913384e-19, -7.92321206458752e-19, -7.61543393319612e-19, -7.38153216639846e-19, -7.12822804056306e-19, -6.67351429006752e-19, -6.180252169757939e-19, -5.960818057965299e-19, -5.8815103145823e-19, -5.844115511944739e-19, -5.753977054515899e-19, -5.57996465029716e-19, -5.325346739621879e-19, -5.02056467853606e-19, -4.794097011320159e-19, -4.6890903547278e-19, -4.65898545577494e-19, -4.6901317695399e-19, -4.7970770598594e-19, -5.00652961122222e-19, -5.243443470091799e-19, -5.38217594482986e-19, -5.41149577723206e-19, -5.42799819656226e-19, -5.33528023475268e-19, -5.02208674633836e-19, -4.45433943431412e-19, -3.63817463518818e-19, -3.0060839095425e-19, -2.7272410881611396e-19, -2.81295753808014e-19, -3.2434143343369197e-19, -4.1789893579948797e-19, -5.68681381001862e-19, -7.859269195124579e-19, -1.094980383504522e-18, -1.447476866927496e-18, -1.8946700003030397e-18, -2.4723988727570997e-18, -3.4297154333384398e-18, -4.9343835973931996e-18, -7.49214644120982e-18, -1.1897523357588899e-17]
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: 563.9041622347933
Energy: 628.2457870659713
Energy: 563.396649939146
Energy: 563.8442608021344
Energy: 634.0171901221211
Energy: 563.5035323105488
Energy: 628.2457870659713
Energy: 648.8388427315549
Energy: 644.23286748679
Energy: 626.906028087774
Energy: 661.4351084537052
Energy: 639.9311134196981
Energy: 563.3966499391471
Energy: 644.23286748679
Energy: 634.2004411838343
Energy: 563.3920008637787
Energy: 649.5935975119111
Energy: 630.5615197952754
Energy: 563.8442608021344
Energy: 626.906028087774
Energy: 563.3920008637775
Energy: 563.7797471294707
Energy: 638.0812863697266
Energy: 563.5017833858782
Energy: 634.0171901221222
Energy: 661.4351084537052
Energy: 649.5935975119111
Energy: 638.0812863697258
Energy: 574.4186830799896
Energy: 636.2739170180363
Energy: 563.5035323105488
Energy: 639.9311134196989
Energy: 630.5615197952754
Energy: 563.50178338588
Energy: 636.273917018037
Energy: 563.4206813905763

minimum gb energy = 563.3920008637775 eV
minimum distance =  1.60665047866091 Angstroms
sigma value = 1


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

Energy: 928.8348604596753
Energy: 948.5949429770263
Energy: 941.8189410404008
Energy: 928.6648661641293
Energy: 947.8835083582433
Energy: 941.7202360632728
Energy: 962.7660266435225
Energy: 957.3693227496411
Energy: 958.4790000530721
Energy: 962.0493615446878
Energy: 924.7768383677014
Energy: 961.5828185322429
Energy: 946.3610861904276
Energy: 955.8731950418569
Energy: 954.2947084559114
Energy: 946.2505757273548
Energy: 922.9084066767756
Energy: 950.4458635644056
Energy: 944.1183594859299
Energy: 940.6112194247147
Energy: 937.7457450912098
Energy: 944.0696470829599
Energy: 940.554710058191
Energy: 944.1105789910168
Energy: 946.6592849843256
Energy: 923.1636587078499
Energy: 923.5443751957731
Energy: 945.6011055736122
Energy: 922.5623567438104
Energy: 961.2350222656713
Energy: 952.3715395532098
Energy: 923.5074984638267
Energy: 923.1450615272153
Energy: 953.4892595528486
Energy: 923.2233893899921
Energy: 955.4601324814384
Energy: 948.7881640141926
Energy: 925.7828506621308
Energy: 924.0595441043182
Energy: 949.5573566821274
Energy: 926.1933437193406
Energy: 939.5862357399101
Energy: 926.6981217860189
Energy: 933.7814209780818
Energy: 921.8982422897332
Energy: 926.5240297687651
Energy: 933.5712039219823
Energy: 933.7172104354257
Energy: 922.5311098589377
Energy: 933.5280281324926
Energy: 923.5718967126132
Energy: 922.7524376136626
Energy: 933.2329631797945
Energy: 923.1974836289314
Energy: 923.841059559649
Energy: 925.721357436416
Energy: 924.9138491648497
Energy: 924.0773424437888
Energy: 962.2665086711695
Energy: 924.2588854666869
Energy: 941.4093134276368
Energy: 929.7514507576633
Energy: 931.9765803378428
Energy: 934.682741515515
Energy: 930.1505871193455
Energy: 950.5121675354853
Energy: 924.0136483520727
Energy: 960.5680189059101
Energy: 958.0852376316308
Energy: 924.0329480468788
Energy: 954.7750056307603
Energy: 955.9916642103473
Energy: 923.4211722046102
Energy: 963.1671519710571
Energy: 961.2575150678945
Energy: 923.5152561023883
Energy: 950.3191272885852
Energy: 959.8610929432131
Energy: 978.1844790130991
Energy: 931.6335443835308
Energy: 930.469295236908
Energy: 940.8807903128816
Energy: 932.1762194058855
Energy: 948.8368453658999
Energy: 924.3854946378829
Energy: 960.0158919819047
Energy: 956.9640339175089
Energy: 924.6085957931589
Energy: 970.2069579243429
Energy: 963.7405542962016
Energy: 923.7017399528658
Energy: 952.2584822580868
Energy: 955.7999634287689
Energy: 923.8794494624152
Energy: 952.219213336225
Energy: 954.445041613125
Energy: 926.8765846936926
Energy: 935.1143002952509
Energy: 920.2689686879584
Energy: 926.847154257038
Energy: 931.8309288475319
Energy: 952.8069058821325
Energy: 944.7325930474476
Energy: 925.6161580925587
Energy: 924.3350430102464
Energy: 945.9980123405468
Energy: 926.2830240967385
Energy: 923.8536181925446
Energy: 923.1684619316812
Energy: 922.1318008167777
Energy: 922.8965097308928
Energy: 923.13993529931
Energy: 922.6407645757536
Energy: 955.734973498255
Energy: 926.0455610088699
Energy: 923.0153893076008
Energy: 923.044633509437
Energy: 926.4940087675877
Energy: 922.6970853475273
Energy: 924.0420068041491
Energy: 945.3085425209104
Energy: 932.5065513288455
Energy: 938.8329099981188
Energy: 945.3363301953862
Energy: 934.7740937204121
Energy: 946.4012811257896
Energy: 950.535815230411
Energy: 923.146118303279
Energy: 923.7303724229489
Energy: 950.4784118052143
Energy: 922.4905766312106
Energy: 923.9579996387008
Energy: 953.3580751834977
Energy: 959.50786291174
Energy: 959.3865279372891
Energy: 952.7913508339283
Energy: 924.0046738786357
Energy: 961.2073577957871

minimum gb energy = 920.2689686879584 eV
minimum distance =  0.757355251730711 Angstroms
sigma value = 33


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

Energy: 835.0589974444129
Energy: 863.9291295968925
Energy: 836.3886394048383
Energy: 835.0692073316004
Energy: 831.3458508766454
Energy: 835.5651476943004
Energy: 837.5204097683172
Energy: 838.3471476439547
Energy: 832.8622288700659
Energy: 868.539694268953
Energy: 815.4481823636598
Energy: 837.6882515557485
Energy: 810.0423113261406
Energy: 857.9464498564337
Energy: 848.1516840663664
Energy: 809.8151946179845
Energy: 863.0980924484395
Energy: 846.9667227333049
Energy: 807.2753717448519
Energy: 843.5740204884355
Energy: 849.2114898241123
Energy: 807.1446368086779
Energy: 846.5966854864151
Energy: 808.6575880358631
Energy: 857.050780527073
Energy: 813.7496358183057
Energy: 855.6657824103451
Energy: 856.8555395502193
Energy: 829.0975465623889
Energy: 859.0373990013837
Energy: 847.7278312760551
Energy: 852.4952900965018
Energy: 851.5749041883299
Energy: 855.8662752360492
Energy: 830.8714516972736
Energy: 851.5894331962447
Energy: 844.72576229879
Energy: 863.122696055361
Energy: 859.0834639952323
Energy: 845.6319937404652
Energy: 816.9545580657558
Energy: 856.0565682348994
Energy: 818.4085987385291
Energy: 808.5151852031325
Energy: 809.8578931953546
Energy: 836.1535659085354
Energy: 808.2228947730111
Energy: 810.3079793063348
Energy: 813.4728540745557
Energy: 811.3236911337065
Energy: 827.8766292617618
Energy: 813.5730902685945
Energy: 810.7456971024458
Energy: 830.4037446775123
Energy: 814.3556082229725
Energy: 836.6259215036921
Energy: 837.9296737569978
Energy: 814.427843206174
Energy: 867.412271758227
Energy: 834.4415578329454
Energy: 842.6265562910255
Energy: 835.2271461645927
Energy: 835.4132338542039
Energy: 833.116418876749
Energy: 835.1083521415553
Energy: 835.9255063157732
Energy: 815.4853133734451
Energy: 840.7420328912502
Energy: 858.267598832514
Energy: 815.4826622509993
Energy: 841.2322658429587
Energy: 857.672142658553
Energy: 814.3365424014473
Energy: 848.8173078277698
Energy: 847.5325672145377
Energy: 813.9758190626625
Energy: 844.4446077170369
Energy: 848.0500358968361
Energy: 874.2083835422218
Energy: 806.6928702047929
Energy: 808.0902332413639
Energy: 853.0150879204781
Energy: 807.0627750758806
Energy: 808.9854191505706
Energy: 830.8530910384419
Energy: 862.360397647999
Energy: 858.7605232051397
Energy: 831.0005864300383
Energy: 853.6206201096413
Energy: 855.6796412017229
Energy: 828.4643429194501
Energy: 853.7256315380923
Energy: 852.3697322783215
Energy: 828.5757684290638
Energy: 856.1265855807264
Energy: 851.689973483581
Energy: 817.6062156491603
Energy: 843.275710389616
Energy: 847.7031289833159
Energy: 817.2457015284886
Energy: 845.6619082518356
Energy: 860.0279013569267
Energy: 808.4460765387796
Energy: 834.2649561561649
Energy: 830.4027012650834
Energy: 808.4438115997806
Energy: 835.8454799759895
Energy: 810.0238191008449
Energy: 809.982630121454
Energy: 833.6156747815464
Energy: 830.901667147282
Energy: 809.8649739697665
Energy: 813.8387719457098
Energy: 827.731192598949
Energy: 867.9793964238899
Energy: 814.0781629670655
Energy: 814.9590889908065
Energy: 835.6054160028607
Energy: 813.8663531436171
Energy: 836.9761957632005
Energy: 835.1416757876852
Energy: 863.4903747765022
Energy: 836.3534441580418
Energy: 835.1447408651695
Energy: 831.237031769688
Energy: 835.5462812406731
Energy: 838.9717390158442
Energy: 832.350693953545
Energy: 855.7141875378173
Energy: 838.8924146633349
Energy: 831.5842251544782
Energy: 854.9573878243751
Energy: 849.8308768747335
Energy: 856.1332120497473
Energy: 848.990619741275
Energy: 849.3278380106079
Energy: 814.403208536323
Energy: 848.9750290919121
Energy: 805.5713551755674
Energy: 844.146934944838
Energy: 849.6494603007343
Energy: 805.545510169908
Energy: 847.8073356556291
Energy: 807.9854728192388
Energy: 851.1659469806826
Energy: 854.1401726256315
Energy: 854.703112610477
Energy: 850.3283599803334
Energy: 856.6105062057206
Energy: 857.0013323544061
Energy: 847.1742280200062
Energy: 830.0923793835169
Energy: 851.9769952011515
Energy: 860.0680103377869
Energy: 826.9144932656536
Energy: 852.9221483130954
Energy: 841.762993499733
Energy: 867.779635066622
Energy: 816.2942067064994
Energy: 843.0514607344047
Energy: 817.5580965807117
Energy: 847.7799668928028
Energy: 868.0162615909934
Energy: 810.2652821598837
Energy: 810.0476110311005
Energy: 817.556554673836
Energy: 810.2233905119157
Energy: 829.8583354688667
Energy: 815.0522265413974
Energy: 809.8290582248376
Energy: 810.0017237957795
Energy: 814.7101926300431
Energy: 808.892402252363
Energy: 828.7626754028794
Energy: 814.1640198546469
Energy: 815.68688396659
Energy: 814.783112879047
Energy: 814.1907362861303
Energy: 837.0860311628232
Energy: 814.0363094692149
Energy: 845.656450009017
Energy: 835.312037859918
Energy: 835.4535143024282
Energy: 831.7338356680135
Energy: 835.259034268943
Energy: 835.9207532303152
Energy: 816.165644902965
Energy: 837.1197128805143
Energy: 837.0914929130297
Energy: 834.1181312669478
Energy: 837.2657445486324
Energy: 853.7651435383262
Energy: 813.8983680991278
Energy: 850.6565675795432
Energy: 847.3433020113347
Energy: 814.1990007085257
Energy: 852.7411041317094
Energy: 850.4239908582784
Energy: 874.3750810165511
Energy: 806.7028144469846
Energy: 807.8783883657675
Energy: 853.0476775449758
Energy: 807.1754684016705
Energy: 808.8059770652994
Energy: 815.3018312258788
Energy: 849.039036348986
Energy: 858.8411985162659
Energy: 815.4265869982402
Energy: 847.77324337778
Energy: 856.198454527895
Energy: 830.4859880796408
Energy: 858.162495217936
Energy: 855.4916442039512
Energy: 830.300070022702
Energy: 861.8144807452582
Energy: 853.5319836473024
Energy: 817.4458522319537
Energy: 844.188466303778
Energy: 844.8758454886308
Energy: 817.1721364824474
Energy: 844.1355400030435
Energy: 850.1580257492107
Energy: 811.0133734221621
Energy: 816.2533308915024
Energy: 831.635854780849
Energy: 810.7605470085888
Energy: 816.4608774254057
Energy: 828.8766660642708
Energy: 808.7848147587607
Energy: 833.0571056474474
Energy: 829.645355496668
Energy: 808.6616978133941
Energy: 834.293138557895
Energy: 809.1300252568111
Energy: 847.8461588519701
Energy: 813.8638548133936
Energy: 814.3563645784419
Energy: 847.6993145271048
Energy: 814.0573760866292
Energy: 815.1689871848625
Energy: 835.4405566746187
Energy: 834.1044541129905
Energy: 836.3648081755301
Energy: 835.4251410498063
Energy: 831.63034443645
Energy: 835.6916021118437

minimum gb energy = 805.545510169908 eV
minimum distance =  0.872990613506794 Angstroms
sigma value = 51


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

Energy: 715.0516098457615
Energy: 734.1282317899354
Energy: 732.4423073809011
Energy: 714.8068112411698
Energy: 732.7740905110945
Energy: 712.7069592186319
Energy: 750.201794984441
Energy: 737.113845695741
Energy: 734.5625376863067
Energy: 749.6479279811485
Energy: 703.9145268967151
Energy: 734.2659481032349
Energy: 718.7447092476755
Energy: 703.0347506583911
Energy: 721.5359633101206
Energy: 738.8462138055934
Energy: 736.3073021086201
Energy: 739.7765130624829
Energy: 716.7162400739544
Energy: 725.807781019691
Energy: 738.3421716910985
Energy: 716.7040978550608
Energy: 725.6189561562187
Energy: 717.4939559330392
Energy: 707.2065992257477
Energy: 713.3880419077027
Energy: 703.1264975223231
Energy: 706.5166364017911
Energy: 712.7849017450475
Energy: 703.8389828696323
Energy: 702.5578218512887
Energy: 713.598189778716
Energy: 702.3217187015529
Energy: 733.4479479347206
Energy: 712.9288906481661
Energy: 702.6494479131695
Energy: 725.8668344424417
Energy: 704.6546835483053
Energy: 703.8041340314934
Energy: 724.7019647816719
Energy: 705.3212611749075
Energy: 703.6658407977719
Energy: 706.3748509378725
Energy: 717.3063778825747
Energy: 716.840001946746
Energy: 714.7715214383305
Energy: 717.8664221913995
Energy: 720.4029741471537
Energy: 703.2540489395386
Energy: 720.8964186699112
Energy: 719.2053689441716
Energy: 703.2174089378302
Energy: 717.7454756747298
Energy: 733.357106391155
Energy: 703.2624573892695
Energy: 748.2108865589416
Energy: 745.5004363153043
Energy: 703.3012415794159
Energy: 750.2292192591639
Energy: 741.5899947499154
Energy: 735.7348159112709
Energy: 715.5811733081237
Energy: 714.5072190834411
Energy: 759.0550887735395
Energy: 726.3069060473647
Energy: 717.789334310241
Energy: 704.2548240857325
Energy: 742.424708071936
Energy: 741.1472656721913
Energy: 704.2810900397542
Energy: 721.2029161331138
Energy: 742.566620209177
Energy: 700.5712667690209
Energy: 704.4398057685489
Energy: 736.1798632862195
Energy: 700.7762959330183
Energy: 723.3305541869371
Energy: 733.0141869888438
Energy: 705.378829745728
Energy: 720.390590194568
Energy: 720.1276731575745
Energy: 705.5218079072287
Energy: 719.773372215515
Energy: 720.198268170835
Energy: 722.1531391090396
Energy: 704.7071701195241
Energy: 704.3513975531567
Energy: 723.43966500761
Energy: 705.2242152521021
Energy: 703.8706366036718
Energy: 719.7527712890103
Energy: 714.4165791219784
Energy: 712.9815406296713
Energy: 720.0427946082459
Energy: 717.151715987567
Energy: 700.7532881740623
Energy: 750.9581809527086
Energy: 702.2608362067975
Energy: 702.5648238630465
Energy: 750.64095123628
Energy: 702.0031023007868
Energy: 703.4222421401055
Energy: 714.116202370406
Energy: 731.8190547222333
Energy: 731.4420569923326
Energy: 713.9189977552336
Energy: 715.4170658174199
Energy: 730.7196225358772

minimum gb energy = 700.5712667690209 eV
minimum distance =  0.656181716766007 Angstroms
sigma value = 19


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

Energy: 623.1633544687494
Energy: 617.7247862131196
Energy: 591.0328382925825
Energy: 623.2966487115268
Energy: 615.4988934782833
Energy: 589.7526683553089
Energy: 625.3777981177332
Energy: 624.8117277165811
Energy: 624.1132830178636
Energy: 624.6477007000547
Energy: 595.1956541343329
Energy: 616.7126500986708
Energy: 639.1687182700309
Energy: 649.0369939713318
Energy: 647.1163309941772
Energy: 640.1657537183378
Energy: 655.7647067781152
Energy: 647.6291885403263
Energy: 586.131169349272
Energy: 645.185719411257
Energy: 641.1995149026138
Energy: 586.7486709814127
Energy: 600.971316556285
Energy: 638.094100172671
Energy: 668.980034842617
Energy: 613.3187259169493
Energy: 617.2645162771569
Energy: 661.7384573282043
Energy: 617.0628455613588
Energy: 648.139234717159
Energy: 663.067985139469
Energy: 590.975215042639
Energy: 614.4707003022701
Energy: 596.1926630918426
Energy: 589.8260532472331
Energy: 618.0636275061568
Energy: 596.3021077431001
Energy: 628.66474527927
Energy: 597.0476396180703
Energy: 596.2747498350391
Energy: 646.525844781399
Energy: 596.3431958460167
Energy: 638.2568028335803
Energy: 589.7320431528797
Energy: 589.7870470837485
Energy: 621.1428097137556
Energy: 589.9294070896575
Energy: 590.324595735441
Energy: 637.9991392025594
Energy: 590.7227412584222
Energy: 590.4585311077063
Energy: 622.7009163539858
Energy: 591.0866351604043
Energy: 592.0479436133752
Energy: 594.9777389498178
Energy: 658.8997164587927
Energy: 647.3193135636805
Energy: 594.1365350768358
Energy: 655.2327925379866
Energy: 659.1527159367819
Energy: 682.8539778468312
Energy: 586.781557906989
Energy: 586.1420656469285
Energy: 599.7252265007614
Energy: 585.9190328164551
Energy: 635.9717020158877
Energy: 619.0884344198145
Energy: 646.9525252306893
Energy: 645.8538708056
Energy: 619.1525408470274
Energy: 649.2347408452206
Energy: 645.6187754332217
Energy: 592.2923178094098
Energy: 622.8698546371792
Energy: 617.9116104888736
Energy: 591.3187339478906
Energy: 626.3856146893967
Energy: 619.4513432016165
Energy: 628.3398421542878
Energy: 594.0265258191342
Energy: 655.112999000756
Energy: 627.8980719882893
Energy: 593.5544687481796
Energy: 595.632088456749
Energy: 591.5437195408774
Energy: 617.7088228364619
Energy: 617.8595698680693
Energy: 591.4080509388879
Energy: 622.8511629165462
Energy: 591.3015059383027
Energy: 623.6679424103313
Energy: 617.1480382674099
Energy: 590.7953252452169
Energy: 623.789429369942
Energy: 617.2401184687978
Energy: 589.8828620582409
Energy: 659.0207469925449
Energy: 595.0267473534856
Energy: 595.7304133114055
Energy: 659.1810338208713
Energy: 596.6439945400741
Energy: 596.3810709514394
Energy: 587.1405462671282
Energy: 652.9149177919983
Energy: 647.7004059768797
Energy: 587.4057062955986
Energy: 665.2156218813661
Energy: 635.9671295130057
Energy: 588.0310980542579
Energy: 653.6468313997473
Energy: 648.748701916525
Energy: 587.1612437495085
Energy: 664.0867309456374
Energy: 646.689632236388
Energy: 600.942937876205
Energy: 591.9355163471016
Energy: 618.8943850921864
Energy: 599.9321187873834
Energy: 592.0055767824747
Energy: 617.5639256319495
Energy: 593.5419925809788
Energy: 616.1842987932386
Energy: 617.9554833765877
Energy: 653.7638983374637
Energy: 620.3974802577435
Energy: 594.8946552189864
Energy: 597.4378046340279
Energy: 621.7776413108295
Energy: 618.5604109361312
Energy: 597.8614647982971
Energy: 623.4016567472062
Energy: 617.9435261132295
Energy: 631.7442542293072
Energy: 589.2676224515845
Energy: 589.4683080133279
Energy: 616.1030707686552
Energy: 623.4417869286491
Energy: 590.3960352034173
Energy: 594.5058543462217
Energy: 621.3022028041876
Energy: 618.243449836914
Energy: 594.857297626044
Energy: 592.7027546164629
Energy: 622.1428279607219
Energy: 595.3289602669893
Energy: 636.8334958141251
Energy: 639.1676363198679
Energy: 595.387222180892
Energy: 640.494163216933
Energy: 647.6783390348943
Energy: 686.6817666182354
Energy: 588.5351835973157
Energy: 587.9767464278153
Energy: 601.0151378498736
Energy: 587.2176973161519
Energy: 639.9812648696741
Energy: 616.8269789634669
Energy: 651.3595368067802
Energy: 648.3474771045787
Energy: 617.5201223583981
Energy: 656.600329267681
Energy: 646.6774563924113
Energy: 592.2968554896124
Energy: 625.253471437128
Energy: 619.626015671403
Energy: 589.9565505803382
Energy: 595.5684472980292
Energy: 615.286034131537
Energy: 643.4464223613793
Energy: 596.222107398189
Energy: 595.6213137133329
Energy: 644.8052865995502
Energy: 595.9526186672884
Energy: 596.1129631311625
Energy: 624.053774112641
Energy: 618.2533759611922
Energy: 591.1092364178313
Energy: 590.1755661583078
Energy: 618.1370851996704
Energy: 589.9947415201563

minimum gb energy = 585.9190328164551 eV
minimum distance =  1.518725557735 Angstroms
sigma value = 27


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

Energy: 716.9503248936566
Energy: 772.2890466599536
Energy: 749.5213233201323
Energy: 716.8956942798424
Energy: 780.5533041002652
Energy: 750.0834898818905
Energy: 770.7835546603021
Energy: 727.1344541949035
Energy: 768.2530408886181
Energy: 770.389079804986
Energy: 727.250529121658
Energy: 767.8994742066849
Energy: 755.4806278755094
Energy: 759.2472911647467
Energy: 759.644974148449
Energy: 755.9746811419116
Energy: 761.5136472279039
Energy: 761.4521872200139
Energy: 750.0760089122462
Energy: 729.9114852661211
Energy: 758.2325171315248
Energy: 750.2609675461111
Energy: 729.7008877782803
Energy: 754.154138682892
Energy: 729.4275950282263
Energy: 723.2869728725435
Energy: 741.6995940419193
Energy: 727.2947059787119
Energy: 723.5154252895056
Energy: 741.9347201914584
Energy: 727.7328821735142
Energy: 745.8428647324736
Energy: 747.1408286731796
Energy: 740.7555929780151
Energy: 745.0191203519724
Energy: 723.1382779775315
Energy: 724.3694093384023
Energy: 771.5456174048041
Energy: 768.7256835484874
Energy: 724.4465484939425
Energy: 774.1273521773946
Energy: 726.8442004333097
Energy: 777.5941762481867
Energy: 742.1089950618127
Energy: 742.6987017770448
Energy: 754.627749752713
Energy: 741.7560287582227
Energy: 721.5216027418343
Energy: 730.0492406862256
Energy: 722.1679282296354
Energy: 751.4201756129338
Energy: 729.8935798040567
Energy: 721.6881648626473
Energy: 750.6147750260327
Energy: 736.0389390147649
Energy: 729.4311931343241
Energy: 728.4900298574228
Energy: 736.1641097762118
Energy: 729.4076344897784
Energy: 739.261959177501
Energy: 742.1462622445935
Energy: 758.7585050676201
Energy: 759.8822543909454
Energy: 742.6606677652113
Energy: 759.3040010395833
Energy: 761.9893201404564
Energy: 766.9236002754144
Energy: 728.3750129589752
Energy: 744.16383067385
Energy: 767.1344234631447
Energy: 727.4932238248399
Energy: 771.782529605425

minimum gb energy = 716.8956942798424 eV
minimum distance =  0.769000476000346 Angstroms
sigma value = 9


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

Energy: 879.2726236021774
Energy: 883.6065014520437
Energy: 871.4822239426161
Energy: 879.2259608238949
Energy: 884.5397672211612
Energy: 868.9490582817795
Energy: 902.1961471005424
Energy: 859.7400857160465
Energy: 898.1710985096267
Energy: 901.7420078815005
Energy: 860.1385204792117
Energy: 898.3666482961406
Energy: 878.2278468063986
Energy: 857.8009764992652
Energy: 886.5863250588604
Energy: 877.6623977766768
Energy: 857.8043816599419
Energy: 885.8483726701681
Energy: 884.062525019487
Energy: 861.371783595062
Energy: 859.5986653658128
Energy: 884.9002416755045
Energy: 861.6977350940195
Energy: 876.3242977132121
Energy: 862.4004076436294
Energy: 887.6319741853277
Energy: 889.1741787648394
Energy: 862.6636928692844
Energy: 886.7370059971333
Energy: 886.4402485598077
Energy: 862.3671383908138
Energy: 870.6846703503642
Energy: 885.6332240778337
Energy: 870.8594764229906
Energy: 870.3609799880446
Energy: 885.2700010923203
Energy: 856.640236204485
Energy: 858.76889658774
Energy: 858.3888501700735
Energy: 856.7391173654605
Energy: 904.5690119128329
Energy: 858.0553003437927
Energy: 860.112104882125
Energy: 872.4831890640966
Energy: 890.2368155281914
Energy: 860.3690420108043
Energy: 872.2431392916488
Energy: 892.2459316871725
Energy: 861.6126372456793
Energy: 893.1719209482776
Energy: 878.2059221792994
Energy: 862.4117312448808
Energy: 891.6804516587839
Energy: 860.6963889434545
Energy: 881.3158432999328
Energy: 862.23163947204
Energy: 860.6302246212695
Energy: 881.5837691897997
Energy: 862.0329014938451
Energy: 872.3772589948007
Energy: 873.7627898153961
Energy: 858.5533375015677
Energy: 858.8016089946854
Energy: 873.4846124134955
Energy: 858.7220069016962
Energy: 881.8971934065726
Energy: 901.9297030695678
Energy: 858.7047730217081
Energy: 891.0351012447537
Energy: 901.2997530799338
Energy: 858.4536520645006
Energy: 893.9702285865292
Energy: 880.2208327367895
Energy: 880.6171404891642
Energy: 873.8846384606962
Energy: 880.2658103452924
Energy: 877.7026925680672
Energy: 870.719970411407
Energy: 894.7939321066432
Energy: 859.8114982179497
Energy: 860.5821508984283
Energy: 893.5458643165234
Energy: 860.0506171629801
Energy: 900.9507224015385
Energy: 860.6496083597441
Energy: 872.0521599166157
Energy: 856.7860738504122
Energy: 861.3604856958725
Energy: 871.2906037069775
Energy: 869.5969327794245
Energy: 857.8136273532275
Energy: 861.2615219796425
Energy: 860.2652582555552
Energy: 857.7786214040893
Energy: 862.4248963814105
Energy: 858.1405107171753
Energy: 861.4358949659565
Energy: 883.5268298188139
Energy: 882.6950350787429
Energy: 861.590704592582
Energy: 884.3078981591316
Energy: 897.8659095625809
Energy: 864.7712465209555
Energy: 869.6151510568387
Energy: 884.5062228090499
Energy: 880.2130631068433
Energy: 869.8020619299516
Energy: 884.2967687475909
Energy: 859.1093313348102
Energy: 904.4508230674794
Energy: 902.6799799144721
Energy: 859.0284948707546
Energy: 906.5844826630874
Energy: 859.4464204087462
Energy: 867.7348291376035
Energy: 884.3230137552466
Energy: 881.8507714939988
Energy: 867.5137705540816
Energy: 886.794413367475
Energy: 890.9624093013866
Energy: 904.916628949255
Energy: 859.1793492959539
Energy: 859.9992608244522
Energy: 905.6650024962096
Energy: 859.2057859985003
Energy: 860.7393712161143
Energy: 879.1756528505382
Energy: 886.9733064538465
Energy: 889.7324316569407
Energy: 879.1347451380659
Energy: 888.3424809153297
Energy: 871.9428208851225
Energy: 872.1863698219095
Energy: 900.095543290153
Energy: 897.8009741778027
Energy: 872.5565920697334
Energy: 861.8863577733317
Energy: 887.5134217427092
Energy: 861.6967016900603
Energy: 858.4845427214907
Energy: 858.7606715878863
Energy: 862.8522498110062
Energy: 858.3323574050596
Energy: 858.7168395581027
Energy: 885.0563883014372
Energy: 888.9509363432633
Energy: 884.1412288849651
Energy: 885.901398610402
Energy: 860.36158250038
Energy: 876.6660410881326
Energy: 860.7980553213812
Energy: 887.1458999810093
Energy: 861.0361247569888
Energy: 860.5507716893142
Energy: 888.4502684986875
Energy: 901.2911069591906
Energy: 907.6832852065425
Energy: 870.2292891377389
Energy: 870.3876674048843
Energy: 870.8822029259792
Energy: 869.4243985566383
Energy: 886.273245718531
Energy: 858.1790977042084
Energy: 898.1619018536845
Energy: 884.8372122279668
Energy: 858.2561835977006
Energy: 900.1023722143523
Energy: 886.1267333620185
Energy: 858.6466435375298
Energy: 891.828858249334
Energy: 892.2133730599891
Energy: 858.6020806858963
Energy: 891.8486049000663
Energy: 858.8554553134239
Energy: 862.3465387312243
Energy: 874.1561053348653
Energy: 890.9972317459009
Energy: 862.4458273046336
Energy: 872.3485055779918
Energy: 893.1669229196557
Energy: 876.4368186489793
Energy: 861.4611684103389
Energy: 899.2237623043566
Energy: 871.938648203217
Energy: 862.418633361207
Energy: 869.6048034153329
Energy: 881.761050602501
Energy: 867.3838374414654
Energy: 883.4209615751039
Energy: 881.8870569668621
Energy: 860.3124729534583
Energy: 871.4613392677314
Energy: 906.2499335679389
Energy: 857.117776772211
Energy: 858.177226211877
Energy: 905.9313657916249
Energy: 857.448425758258
Energy: 858.3298800918652
Energy: 880.6243542736444
Energy: 876.6498685031107
Energy: 889.3067367767287
Energy: 880.6507419441577
Energy: 880.2592978564534
Energy: 869.7222494344062
Energy: 873.7430766043509
Energy: 862.0403950686792
Energy: 899.5065583371849
Energy: 873.7128187981468
Energy: 862.5681483381527
Energy: 890.5182235676535
Energy: 861.5470208820719
Energy: 876.5570592616289
Energy: 858.9610807909029
Energy: 861.7875445351691
Energy: 874.6819057069223
Energy: 860.4166607473834
Energy: 858.0431924184528
Energy: 860.1749243223084
Energy: 859.6904251079569
Energy: 858.4185065758926
Energy: 887.8600715028591
Energy: 859.139153507463
Energy: 859.8077655315368
Energy: 902.6908454265987
Energy: 894.4350789663807
Energy: 859.6478753094913
Energy: 903.9192439896398
Energy: 894.4737539190373
Energy: 918.7185727979999
Energy: 869.1540745720725
Energy: 869.0824275888607
Energy: 878.0130318185885
Energy: 868.522011564907
Energy: 884.5119887063375
Energy: 860.7440885833603
Energy: 902.8544105576292
Energy: 891.4943830575642
Energy: 860.2057098971791
Energy: 901.296469439608
Energy: 902.2604553206982
Energy: 863.8868021593838
Energy: 890.3953719993799
Energy: 859.7929165449118
Energy: 866.1657513374977
Energy: 891.6232058641073
Energy: 859.2368384761917
Energy: 861.9457849732788
Energy: 858.8828990894383
Energy: 890.2871895653027
Energy: 862.1982319965687
Energy: 875.5355518213782
Energy: 858.6800662092794
Energy: 872.7823418668772
Energy: 902.2676282734817
Energy: 899.3775166999519
Energy: 872.4599698560645
Energy: 861.6271114605713
Energy: 875.1858127267755

minimum gb energy = 856.640236204485 eV
minimum distance =  0.926952500790598 Angstroms
sigma value = 57


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

Energy: 748.5066541305175
Energy: 787.980707983325
Energy: 749.8992476272364
Energy: 748.6086683601108
Energy: 788.9359473599669
Energy: 749.6887745214087
Energy: 798.6309755665786
Energy: 819.2585603697631
Energy: 794.0593953375642
Energy: 798.2720063407372
Energy: 824.58677743029
Energy: 792.3035935606918
Energy: 843.366999097695
Energy: 847.2044474501981
Energy: 846.7047129505207
Energy: 860.3850160128138
Energy: 797.559237121667
Energy: 848.0827905339875
Energy: 829.8612854678504
Energy: 766.8508363387228
Energy: 870.7813027489575
Energy: 833.6136179215803
Energy: 768.6430589057816
Energy: 862.1853185313531
Energy: 830.8605532354936
Energy: 750.9421077095528
Energy: 750.9720521905217
Energy: 806.8160612569839
Energy: 750.8400634262862
Energy: 793.8207510084469
Energy: 813.8479147120734
Energy: 749.6521097069686
Energy: 749.853564387226
Energy: 790.1716902857244
Energy: 749.3809708501259
Energy: 750.0334484383793
Energy: 808.7381312410621
Energy: 797.3992142814378
Energy: 760.695821390027
Energy: 760.8154032305906
Energy: 801.3898747651057
Energy: 840.036622021293
Energy: 808.3949642676848
Energy: 847.4029297332162
Energy: 845.8668005906393
Energy: 808.444414085138
Energy: 851.1255369636137
Energy: 845.8604853791213
Energy: 810.2972828360438
Energy: 852.5505376328805
Energy: 858.1452680025111
Energy: 807.36112736522
Energy: 843.0895369308404
Energy: 865.914765221347
Energy: 749.3411598314874
Energy: 789.58246149961
Energy: 750.0638158049421
Energy: 749.4815309560646
Energy: 793.9590174711673
Energy: 750.0099359039959
Energy: 750.3010648899677
Energy: 791.725990047748
Energy: 794.8071698428777
Energy: 750.4181576425594
Energy: 794.9564138808197
Energy: 750.3869370894109
Energy: 868.2191934415431
Energy: 760.7461166315138
Energy: 762.6981462054341
Energy: 873.0114721096463
Energy: 804.8886740988652
Energy: 763.6841175885378
Energy: 829.1810009345259
Energy: 853.5266291190985
Energy: 849.0991192072731
Energy: 830.0880559219096
Energy: 767.2740631862466
Energy: 846.93729198288
Energy: 765.5095251265782
Energy: 791.6641624715666
Energy: 793.8074179020558
Energy: 855.1448518286252
Energy: 800.5343659298846
Energy: 797.4923756847637
Energy: 814.0928531304617
Energy: 749.1085055556438
Energy: 749.5301156987603
Energy: 787.2014133459743
Energy: 748.7707264402761
Energy: 749.8431694836892
Energy: 760.5561487488415
Energy: 794.8460816846707
Energy: 795.7736841455599
Energy: 759.3066098322004
Energy: 752.5880562628755
Energy: 797.4375678261836
Energy: 796.2226309277561
Energy: 855.3144043967633
Energy: 851.2908610385203
Energy: 795.3687929663201
Energy: 860.9377237877878
Energy: 848.5242862792063
Energy: 768.182007730811
Energy: 839.9762709913259
Energy: 854.5679868253468
Energy: 768.068488480044
Energy: 834.7765191932316
Energy: 860.4386219441657
Energy: 751.8555194937835
Energy: 795.922698195854
Energy: 797.9378743925913
Energy: 751.8834722328701
Energy: 802.1280705897663
Energy: 793.0514942543585

minimum gb energy = 748.5066541305175 eV
minimum distance =  0.717544203188121 Angstroms
sigma value = 11


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

Energy: 1033.46384541269
Energy: 1064.2647463922376
Energy: 1050.5321390113875
Energy: 1033.3484374361224
Energy: 1054.8640515704246
Energy: 1051.5463932755717
Energy: 1070.1818857247683
Energy: 1067.832507641166
Energy: 1068.754179866607
Energy: 1070.1892317966497
Energy: 1030.2312683922555
Energy: 1061.1527130343559
Energy: 1030.525288213464
Energy: 1036.2800830863075
Energy: 1028.7646533684554
Energy: 1030.4528211139784
Energy: 1035.6611157728742
Energy: 1029.751971642326
Energy: 1042.9118543861862
Energy: 1030.7327522635103
Energy: 1029.7953191227964
Energy: 1028.665217980843
Energy: 1030.9153006188435
Energy: 1029.6935361710582
Energy: 1031.393587387736
Energy: 1057.8191705789116
Energy: 1053.070579040532
Energy: 1031.6738191020474
Energy: 1045.4399969250067
Energy: 1068.0751238983478
Energy: 1058.8202690168007
Energy: 1045.601529452856
Energy: 1045.4466145519812
Energy: 1047.0826022017206
Energy: 1045.7953913365943
Energy: 1053.078621946252
Energy: 1029.733614712077
Energy: 1075.3582946623505
Energy: 1068.5784016533028
Energy: 1030.0445816594843
Energy: 1074.7103979739736
Energy: 1072.6222160020834
Energy: 1039.0602229979886
Energy: 1029.9211439448036
Energy: 1029.7073908724444
Energy: 1039.0666970195077
Energy: 1029.5352743649912
Energy: 1028.6851589019109
Energy: 1072.1411117387277
Energy: 1027.5901005178762
Energy: 1028.4861560359284
Energy: 1071.9665127359842
Energy: 1027.4134927990187
Energy: 1028.6886515999263
Energy: 1036.9717466666227
Energy: 1044.5109110785247
Energy: 1065.190914642823
Energy: 1036.7624884239294
Energy: 1043.7387784434152
Energy: 1051.6423325540381
Energy: 1052.6214639823895
Energy: 1063.2860253766432
Energy: 1070.4730693739014
Energy: 1052.69603746329
Energy: 1032.5468876491627
Energy: 1067.6699541227592
Energy: 1031.3338868965552
Energy: 1041.9236210464915
Energy: 1030.0149548995123
Energy: 1032.3996809078355
Energy: 1050.412537024461
Energy: 1029.7721117952547
Energy: 1028.8171691504606
Energy: 1051.3593282179156
Energy: 1027.7108412627827
Energy: 1028.9173728107287
Energy: 1051.0261133316978
Energy: 1028.7858184407594
Energy: 1027.31503463647
Energy: 1066.3895739412353
Energy: 1029.569892173142
Energy: 1027.3683802718083
Energy: 1067.6163924016157
Energy: 1028.9240791277393
Energy: 1032.7527590010914
Energy: 1048.6845927748448
Energy: 1049.165786422674
Energy: 1032.5949636719774
Energy: 1048.4134754565848
Energy: 1057.5984687524883
Energy: 1031.9561753443884
Energy: 1030.76737752423
Energy: 1071.9707140128874
Energy: 1031.9492671246285
Energy: 1058.7612405688576
Energy: 1072.189134271454
Energy: 1037.389893021384
Energy: 1039.6686243891684
Energy: 1054.557381045821
Energy: 1037.3112174946539
Energy: 1041.9609892884898
Energy: 1054.4130029675712
Energy: 1056.7767621834078
Energy: 1028.9894771093434
Energy: 1050.2706515025202
Energy: 1056.3040281248277
Energy: 1029.0218393126904
Energy: 1058.753225494
Energy: 1046.0714085319871
Energy: 1028.5124887840568
Energy: 1028.4747223404825
Energy: 1045.5289787571621
Energy: 1028.401215710032
Energy: 1029.3028751199442
Energy: 1038.9261605991653
Energy: 1032.099672008471
Energy: 1061.6691436060644
Energy: 1039.0318551641296
Energy: 1031.6684764876034
Energy: 1056.6329449850223
Energy: 1030.9949021051248
Energy: 1063.8546952620247
Energy: 1072.0495410261194
Energy: 1030.8827008611754
Energy: 1056.2399227706983
Energy: 1072.0177276336847
Energy: 1046.1881941490494
Energy: 1046.7878067783545
Energy: 1046.5366412369458
Energy: 1040.1107966404911
Energy: 1047.0249041021964
Energy: 1060.5110283977026
Energy: 1028.4436260613336
Energy: 1067.5282168112053
Energy: 1065.3443689559072
Energy: 1028.4065135668875
Energy: 1064.6559733957758
Energy: 1029.387816565345
Energy: 1028.1797799367614
Energy: 1045.4140195440084
Energy: 1058.8255722993576
Energy: 1027.2049466291573
Energy: 1044.2505265889993
Energy: 1050.5361587324032
Energy: 1032.0478598240331
Energy: 1044.5619114100625
Energy: 1030.144672631683
Energy: 1031.6837465292172
Energy: 1043.525786258201
Energy: 1030.447103623543
Energy: 1051.5457905792643
Energy: 1065.7979053429367
Energy: 1070.767639268088
Energy: 1051.291723451267
Energy: 1032.538368858272
Energy: 1062.0475728330796

minimum gb energy = 1027.2049466291573 eV
minimum distance =  0.643299399229202 Angstroms
sigma value = 41


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

Energy: 666.9851614823126
Energy: 688.9399100483017
Energy: 688.547738022925
Energy: 666.9006273126985
Energy: 690.9202743023632
Energy: 666.290754851521
Energy: 700.9306239201821
Energy: 695.0512459404734
Energy: 696.7364612992395
Energy: 690.9236779868335
Energy: 657.2543969445054
Energy: 688.7821722316803
Energy: 658.6365966950751
Energy: 666.2026064097302
Energy: 668.4449908665968
Energy: 690.8193311850257
Energy: 667.2523120583767
Energy: 656.1931843443591
Energy: 679.5964209270129
Energy: 658.8952058929185
Energy: 657.3929007983678
Energy: 680.0420354955205
Energy: 658.9910045569602
Energy: 656.058583439961
Energy: 659.1001289985087
Energy: 674.1651920825144
Energy: 674.08887142147
Energy: 659.2086658726171
Energy: 673.6508287713527
Energy: 693.3738502083946
Energy: 698.8156071469516
Energy: 668.9530460946958
Energy: 671.7428694970711
Energy: 677.2106893799435
Energy: 669.1323171085971
Energy: 675.3633941839942
Energy: 669.1901103071932
Energy: 705.2467637784758
Energy: 658.7297561591913
Energy: 669.0854685609556
Energy: 704.803188864285
Energy: 657.6572521497982
Energy: 671.8552361062888
Energy: 669.8074555166229
Energy: 667.3989289917782
Energy: 672.2627057368516
Energy: 671.4440083587917
Energy: 677.8352398843653
Energy: 659.7858714441104
Energy: 655.4888724639367
Energy: 655.9767970618478
Energy: 659.7529380837237
Energy: 654.7564766514115
Energy: 657.0526941918924
Energy: 670.0497722982248
Energy: 678.6933521447093
Energy: 677.7408555797654
Energy: 670.1435050302844
Energy: 680.7591306752728
Energy: 692.2947263974291
Energy: 669.3077652568887
Energy: 658.8299038171411
Energy: 681.1628079820398
Energy: 670.0205521178469
Energy: 659.6937945844452
Energy: 681.0883004886209
Energy: 660.1631318566314
Energy: 674.3163644903889
Energy: 677.6581276428738
Energy: 659.3134955849512
Energy: 673.9308564475444
Energy: 691.1810358822527
Energy: 679.586105565777
Energy: 673.7220704359752
Energy: 675.0480154374361
Energy: 658.144785712898
Energy: 670.9887684834409
Energy: 676.6026604325732
Energy: 655.1173764824944
Energy: 658.3954920424223
Energy: 657.1095171753445
Energy: 655.2854586775481
Energy: 656.2086728157747
Energy: 656.4239898470756
Energy: 657.4682474254118
Energy: 674.5300799670415
Energy: 675.431082534108
Energy: 656.8946605179574
Energy: 674.6727928324897
Energy: 688.7414551079457
Energy: 692.5708315153622
Energy: 701.0148857674426
Energy: 701.8521922334098
Energy: 661.4115564491794
Energy: 657.4336111411618
Energy: 703.7777489940419
Energy: 666.7864071030693
Energy: 688.5223758032572
Energy: 688.2876205067853
Energy: 666.7268633788809
Energy: 689.7198331264418
Energy: 666.2156195704916
Energy: 686.6678848601887
Energy: 672.6197532657504
Energy: 687.4326582121255
Energy: 686.7301412456544
Energy: 658.3503984909623
Energy: 676.8807023947702
Energy: 659.1475379721132
Energy: 666.1938146729078
Energy: 668.3807983546831
Energy: 658.7989815074651
Energy: 666.2029557850159
Energy: 656.4550344933982
Energy: 677.1206394123913
Energy: 670.8361074747502
Energy: 657.3360665960607
Energy: 683.0478965798077
Energy: 669.6846331904577
Energy: 687.1152658860073
Energy: 657.7607655246086
Energy: 696.3397105696794
Energy: 695.3506099896747
Energy: 657.7644507118005
Energy: 697.4180862550671
Energy: 695.044908310848
Energy: 694.8974464005499
Energy: 669.2848650053423
Energy: 672.1562864529286
Energy: 679.0762042640682
Energy: 669.6886028787983
Energy: 673.4746637767863
Energy: 658.5828146173228
Energy: 700.8114228870762
Energy: 701.5596693235789
Energy: 658.7441325336756
Energy: 700.9668973909774
Energy: 703.1622660253933
Energy: 670.7391907128103
Energy: 671.5527201773915
Energy: 668.324581637336
Energy: 671.1859747497764
Energy: 672.5762758907197
Energy: 677.1677293342905
Energy: 670.3510659548637
Energy: 655.8070403144123
Energy: 655.6316358561908
Energy: 670.0870270767541
Energy: 655.6811100572107
Energy: 656.6004580846495
Energy: 672.0030665359635
Energy: 657.259724512075
Energy: 674.9420605731742
Energy: 671.8932119706483
Energy: 657.1934368317006
Energy: 692.0592835898335
Energy: 668.2538079768823
Energy: 681.5624599335059
Energy: 680.846408088734
Energy: 668.5456890136976
Energy: 659.756828576895
Energy: 693.1620720210726
Energy: 659.5712866416136
Energy: 655.2528419764118
Energy: 689.0445924195067
Energy: 659.4896676842826
Energy: 677.6477987721988
Energy: 700.5103577911237
Energy: 674.8367881774745
Energy: 670.9500177675023
Energy: 673.7540718459464
Energy: 668.1426741144826
Energy: 671.2850693672124
Energy: 675.1902207851158
Energy: 655.3964068610201
Energy: 658.2615658266557
Energy: 657.2666119157977
Energy: 655.3811271937203
Energy: 699.7869191769202
Energy: 656.5330232148152
Energy: 656.1390809476484
Energy: 674.7339946069321
Energy: 688.3834375270749
Energy: 656.905547695199
Energy: 675.3124777254064
Energy: 687.5954600723879
Energy: 660.2382470373872
Energy: 680.8440446140756
Energy: 684.4616398543329
Energy: 659.9338696411565
Energy: 678.508758058963
Energy: 657.7091058688693
Energy: 666.5398918910694
Energy: 687.1781757753247
Energy: 688.1902307460193
Energy: 666.4769193663882
Energy: 670.2216383965273
Energy: 686.8106708560113

minimum gb energy = 654.7564766514115 eV
minimum distance =  0.692993367499791 Angstroms
sigma value = 33


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

Energy: 924.9587430626239
Energy: 978.3835034594267
Energy: 954.6674013680968
Energy: 924.8087486786808
Energy: 986.6734402643543
Energy: 954.8428044313185
Energy: 973.0847345756928
Energy: 977.6548353295437
Energy: 951.4648786636797
Energy: 973.3814369019633
Energy: 932.6645089842926
Energy: 977.5003624504436
Energy: 981.1428708404065
Energy: 945.1966298051993
Energy: 948.0251208952565
Energy: 976.3535849694094
Energy: 943.0014328364955
Energy: 951.834254644098
Energy: 932.8981854708426
Energy: 935.3897815941772
Energy: 934.646412308591
Energy: 932.9554100402436
Energy: 953.9320293083398
Energy: 932.7243088237378
Energy: 983.6430334076964
Energy: 927.8236470251406
Energy: 957.912630879453
Energy: 934.8729961464155
Energy: 928.7435738403107
Energy: 957.3743198738973
Energy: 990.5073230740088
Energy: 948.4085990788247
Energy: 927.1120582762087
Energy: 962.863809053215
Energy: 947.6614865252524
Energy: 927.601291910525
Energy: 951.0417533177225
Energy: 978.1419232214034
Energy: 979.154600524376
Energy: 950.0018381089708
Energy: 979.5480924330823
Energy: 934.1702863429056
Energy: 950.4929446047439
Energy: 947.6964089538399
Energy: 929.5624606517258
Energy: 950.7699526645408
Energy: 948.028844311958
Energy: 929.8740010225303
Energy: 953.1633776324164
Energy: 932.1203826423288
Energy: 932.6608460369209
Energy: 952.6556922997221
Energy: 931.7076400963108
Energy: 933.4585543193522
Energy: 958.9748250760892
Energy: 968.5303834372088
Energy: 967.5383410701876
Energy: 959.5099769256769
Energy: 972.9689889987053
Energy: 968.3554303719471
Energy: 960.1333525033867
Energy: 989.5472389378085
Energy: 981.7086883512745
Energy: 961.5920153277664
Energy: 935.9300104741558
Energy: 965.3622237528372
Energy: 965.695362282718
Energy: 954.544906416266
Energy: 954.4197283048948
Energy: 951.3659495574998
Energy: 954.7966518800199
Energy: 954.7396974766505
Energy: 961.6132922322229
Energy: 954.9400782012343
Energy: 954.3311126347335
Energy: 948.9127557335562
Energy: 955.529989955493
Energy: 954.1438531313232
Energy: 951.5083648994018
Energy: 935.829769037955
Energy: 934.5785968276506
Energy: 949.5217103270026
Energy: 955.0459391062438
Energy: 933.0967671493576
Energy: 931.168590944058
Energy: 967.4950390274462
Energy: 967.54814217129
Energy: 945.5164996020138
Energy: 969.5596019526864
Energy: 950.1824336277552
Energy: 977.3309448357531
Energy: 933.4589376969506
Energy: 932.9607266256935
Energy: 977.2250583232592
Energy: 932.5519972811925
Energy: 978.3837464949712
Energy: 947.802512436091
Energy: 962.3852859639909
Energy: 927.1970485123514
Energy: 947.9160708090933
Energy: 958.7843932416472
Energy: 926.5708682518424
Energy: 927.2196719697098
Energy: 981.4699106619388
Energy: 963.3240145851076
Energy: 927.1644933062934
Energy: 985.8833785945585
Energy: 961.7722350002085
Energy: 936.4615403141175
Energy: 954.2279204089837
Energy: 930.6869844098521
Energy: 936.3499691563204
Energy: 951.8472587311336
Energy: 950.0368957414007
Energy: 932.2251654415192
Energy: 930.1238083321222
Energy: 930.9916659860371
Energy: 931.9687244122309
Energy: 953.5455292740126
Energy: 947.7974822870167
Energy: 931.9771608502375
Energy: 973.2244926138563
Energy: 974.794807013484
Energy: 932.0952452834445
Energy: 972.4000849490765
Energy: 933.124786738864
Energy: 934.9682797295197
Energy: 956.1181198733331
Energy: 969.1682790066102
Energy: 981.0910706923931
Energy: 958.000198218765
Energy: 968.8632326710443
Energy: 979.2671328308943
Energy: 980.2513595600258
Energy: 987.823821869359
Energy: 981.2033374549402
Energy: 978.8837862602799
Energy: 952.756145661638
Energy: 924.9388448326825
Energy: 978.214166060667
Energy: 954.5556474360798
Energy: 954.2377860812617
Energy: 986.7293984706581
Energy: 954.6877422836687
Energy: 955.0681186842548
Energy: 950.7558910208993
Energy: 975.2971690891145
Energy: 955.2444180820584
Energy: 954.4470797899098
Energy: 972.4771199430801
Energy: 935.5584622813179
Energy: 944.4564287343392
Energy: 947.6787606218916
Energy: 933.8278494912986
Energy: 947.203745610564
Energy: 951.0632956222331
Energy: 932.3960631945828
Energy: 949.4744638988703
Energy: 933.3133200276529
Energy: 968.0030100547981
Energy: 948.07800415065
Energy: 970.9725337273195
Energy: 934.2307600475415
Energy: 957.751457554786
Energy: 956.9238954568225
Energy: 934.3889043714734
Energy: 929.2022129372936
Energy: 961.2814538678366
Energy: 987.7202976978296
Energy: 948.1721441808847
Energy: 949.0457113139612
Energy: 964.6053548110633
Energy: 947.5993705197044
Energy: 927.418701182182
Energy: 953.7803649937487
Energy: 978.5911629592861
Energy: 977.9324503660288
Energy: 953.1410138772447
Energy: 980.63998598361
Energy: 978.5139570151164
Energy: 950.0707214726375
Energy: 948.3310636805755
Energy: 929.8290869298775
Energy: 950.3931248286557
Energy: 949.0507752335204
Energy: 930.0874751833555
Energy: 950.6306004180211
Energy: 932.051978664032
Energy: 932.538031566257
Energy: 949.8277990054412
Energy: 932.1011166135901
Energy: 945.1508655107161
Energy: 962.5372165789244
Energy: 967.6739278023797
Energy: 967.3103436945054
Energy: 959.7696043526668
Energy: 971.1065316174258
Energy: 968.5921392729805
Energy: 959.9183595714937
Energy: 984.5388523899977
Energy: 968.9858537768033
Energy: 960.909261301333
Energy: 936.5925215328081
Energy: 964.1808271034661
Energy: 936.2404787920565
Energy: 954.9649524279733
Energy: 955.589747302732
Energy: 954.1900427841903
Energy: 954.6920875815862
Energy: 975.74304996472
Energy: 957.6634406166517
Energy: 955.5861012376878
Energy: 954.7125050555228
Energy: 950.1063082437275
Energy: 956.1879024426589
Energy: 954.24913929061
Energy: 949.0727435166878
Energy: 955.4542617831141
Energy: 934.0841033972544
Energy: 949.466194236749
Energy: 955.3571506766026
Energy: 964.7735363950842
Energy: 930.4295809272794
Energy: 968.2727626905931
Energy: 967.9579471205192
Energy: 930.7595349392392
Energy: 970.7090629152415
Energy: 949.8456051417105
Energy: 974.7116700179386
Energy: 932.4425547497344
Energy: 933.5203005164589
Energy: 975.0635837636995
Energy: 932.3023053554151
Energy: 934.3694752827482
Energy: 948.2663069498961
Energy: 960.5314617244798
Energy: 960.3379555663074
Energy: 948.3102528540487
Energy: 957.0119910688405
Energy: 927.7846288610822
Energy: 948.2806526993672
Energy: 965.7760291767191
Energy: 962.151860723936
Energy: 948.7175146949071
Energy: 968.0282904693587
Energy: 961.6573847903132
Energy: 985.9797833570786
Energy: 930.3559420892828
Energy: 930.6641846418406
Energy: 936.7364312960209
Energy: 930.0880475345579
Energy: 951.9396504379438
Energy: 932.3330026568207
Energy: 952.4821914350938
Energy: 929.7237358561035
Energy: 946.9864587516367
Energy: 952.0501037160592
Energy: 930.3467659107699
Energy: 931.7044794598118
Energy: 973.3637539353655
Energy: 973.6605468958593
Energy: 931.7500963733214
Energy: 973.4741532697901
Energy: 932.6749434139458
Energy: 934.2888377222279
Energy: 956.7816246609088
Energy: 969.1503050001136
Energy: 979.7509286829865
Energy: 959.0297806597249
Energy: 968.4371604662173
Energy: 956.3194328560646
Energy: 977.1691290113517
Energy: 976.5758938346248
Energy: 956.60269592803
Energy: 973.2198056511621
Energy: 990.5775391334184
Energy: 955.9793375367796
Energy: 977.6646843114655
Energy: 954.33801013668
Energy: 956.0965830638473
Energy: 950.1784148643293
Energy: 954.356219502332

minimum gb energy = 924.8087486786808 eV
minimum distance =  0.781587464451004 Angstroms
sigma value = 67


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

Energy: 693.9104480183415
Energy: 724.0605621587239
Energy: 694.7778293540667
Energy: 693.983251492876
Energy: 722.3614109945881
Energy: 696.4923279844111
Energy: 729.769329206392
Energy: 741.5180249574719
Energy: 742.9845835399591
Energy: 729.5070130075234
Energy: 744.0544095039684
Energy: 727.4210681672446
Energy: 701.7450306119924
Energy: 698.0705089692308
Energy: 721.9224377172745
Energy: 701.7048149670117
Energy: 698.6883110960499
Energy: 725.1430589947076
Energy: 701.4200503171612
Energy: 725.0208519884336
Energy: 723.0994654918327
Energy: 702.0574543876901
Energy: 725.7304624172358
Energy: 702.1249901584446
Energy: 702.9742424277597
Energy: 746.6153999470469
Energy: 747.6011184233466
Energy: 702.4925078087132
Energy: 746.6278446702837
Energy: 749.5764145895117
Energy: 703.7949629234397
Energy: 692.972550963727
Energy: 745.191427637668
Energy: 704.5015282071596
Energy: 693.3550096794224
Energy: 746.7991641171919
Energy: 699.2904591145656
Energy: 761.624553792864
Energy: 732.9585040473156
Energy: 699.1410999873394
Energy: 765.405579782063
Energy: 728.7631871650593

minimum gb energy = 692.972550963727 eV
minimum distance =  0.747925133645884 Angstroms
sigma value = 3


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

Energy: 1029.4857946798047
Energy: 1054.9064321706041
Energy: 1042.9931315060921
Energy: 1029.5131410075417
Energy: 1043.2379254137645
Energy: 1043.3989427048148
Energy: 1060.1063604177739
Energy: 1064.7150827701432
Energy: 1062.5444630225986
Energy: 1059.2155091868442
Energy: 1024.8827681020932
Energy: 1060.791525426881
Energy: 1024.5208676391162
Energy: 1044.0983911760889
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Energy: 1030.511353596617
Energy: 1039.3710938484046
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Energy: 1051.1477203680518
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Energy: 1047.4089278214772
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Energy: 1026.2629261770348
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Energy: 1044.6170670542847
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Energy: 1023.5926887172632
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Energy: 1058.1743566239834
Energy: 1022.9072210795912
Energy: 1024.5795226901344
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Energy: 1037.6005255593352
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Energy: 1026.7859197283665
Energy: 1047.3419922388407
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Energy: 1026.4347025642342
Energy: 1052.572024350264
Energy: 1054.869746166947
Energy: 1026.5482152309726
Energy: 1039.3842646201017
Energy: 1039.1048753616885
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Energy: 1024.4824708118201
Energy: 1037.292686079447
Energy: 1024.4048435384511
Energy: 1023.7391822071552
Energy: 1025.1679604584021
Energy: 1022.43814334703
Energy: 1023.0624036187645
Energy: 1024.8673730206467
Energy: 1022.4293118553243
Energy: 1023.2313330496021
Energy: 1034.8773062602831
Energy: 1023.8552526158188
Energy: 1049.0692166788294
Energy: 1034.724629379937
Energy: 1022.9574257037823
Energy: 1048.4350081996758
Energy: 1046.2326601136813
Energy: 1025.9787259249472
Energy: 1024.8990891482013
Energy: 1047.0286307260533
Energy: 1025.9542472575065
Energy: 1039.1107241816892
Energy: 1025.6293046466112
Energy: 1050.1597281016623
Energy: 1043.9961047492466
Energy: 1025.9698409228954
Energy: 1037.5947598070927
Energy: 1060.3491560197256
Energy: 1027.9108335473902
Energy: 1037.8561363913882
Energy: 1037.760262137893
Energy: 1039.5723365035676
Energy: 1038.006344093877
Energy: 1047.8860649704268
Energy: 1056.0940061669578
Energy: 1069.3452813575163
Energy: 1068.64786282357
Energy: 1058.4378219816622
Energy: 1026.513210483578
Energy: 1069.1108661244955
Energy: 1032.4707520410382
Energy: 1054.2350973931282
Energy: 1046.6195878162196
Energy: 1032.3134732462559
Energy: 1029.5640497625882
Energy: 1046.9063213444754
Energy: 1026.0467345464124
Energy: 1022.6802036789223
Energy: 1023.2200593002373
Energy: 1025.726185801237
Energy: 1023.1113759106987
Energy: 1023.4924952474173
Energy: 1036.9093228676625
Energy: 1023.5327167136059
Energy: 1023.0699736570475
Energy: 1025.335985085786
Energy: 1022.5107941521504
Energy: 1024.2555697928442
Energy: 1022.546383855116
Energy: 1024.9243817383917
Energy: 1023.7091330313066
Energy: 1022.6917944320672
Energy: 1025.5611771072245
Energy: 1023.7664365675123
Energy: 1022.9034208090893
Energy: 1041.767350462242
Energy: 1046.181892793752
Energy: 1024.0025370924195
Energy: 1042.2107364563565
Energy: 1047.0882749564332
Energy: 1026.352796729217
Energy: 1041.5002528053128
Energy: 1042.6753502986003
Energy: 1026.3131060973299
Energy: 1040.7861364871412
Energy: 1048.3177279264896
Energy: 1054.5157822445487
Energy: 1068.5329427882914
Energy: 1067.1728174514885
Energy: 1055.5206966617773
Energy: 1026.021377309798
Energy: 1059.0611801151874

minimum gb energy = 1021.326985880834 eV
minimum distance =  0.730296326214205 Angstroms
sigma value = 81


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

Energy: 770.9916817549176
Energy: 762.0376470448705
Energy: 772.3603567037884
Energy: 771.086308300524
Energy: 761.1266882024304
Energy: 771.7239261022961
Energy: 790.3776908849203
Energy: 777.5546425613161
Energy: 762.5261055478377
Energy: 791.1443556229452
Energy: 782.4638722588506
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Energy: 751.7941597499063
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Energy: 747.1687838854315
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Energy: 748.3899927917906
Energy: 746.9233401188653
Energy: 763.1212120382706
Energy: 748.4657076407728
Energy: 747.3573218033042
Energy: 762.7104982483878
Energy: 748.216405779661
Energy: 782.1209347745682
Energy: 789.0488853990964
Energy: 748.827672387359
Energy: 781.0016479039599
Energy: 786.6496967427975
Energy: 765.2261343239176
Energy: 782.2526882528615
Energy: 783.1036451120683
Energy: 765.5075473542939
Energy: 782.5485401610983
Energy: 784.7417465884851
Energy: 779.2263660353319
Energy: 786.294585965085
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Energy: 778.9732729091819
Energy: 750.8432943366755
Energy: 783.476903891187
Energy: 744.8675416965098
Energy: 779.935338156765
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Energy: 776.7442028026651
Energy: 761.8726332491386
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Energy: 746.2411243263349
Energy: 769.3011613830425
Energy: 766.0947550253377
Energy: 746.3190983103685
Energy: 751.7217280106229
Energy: 763.3033271676505
Energy: 748.469344996336
Energy: 764.963406098949
Energy: 763.5237417849103
Energy: 748.7338321781216
Energy: 761.7393416922856
Energy: 746.6567389026751
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Energy: 748.8315013284883
Energy: 749.2157537820854
Energy: 785.7203705488507
Energy: 748.6970931496148
Energy: 791.8109334627944
Energy: 776.9202400301346
Energy: 783.7452543484902
Energy: 782.2005580799648
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Energy: 765.3439942657957
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Energy: 750.1385297643928
Energy: 790.4841841586992
Energy: 794.4757806500149
Energy: 750.0650032427342
Energy: 787.8992837445576
Energy: 749.6960744691274
Energy: 803.3474893722337
Energy: 743.7604940001156
Energy: 742.8425023668137
Energy: 782.2838530307964
Energy: 744.4170907046467
Energy: 744.3998922784713
Energy: 752.323477341073
Energy: 780.5186153000915
Energy: 785.7857085996343
Energy: 752.6753207236401
Energy: 780.9537738198782
Energy: 787.4886708628287
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Energy: 759.5170674904538
Energy: 777.4818424613145
Energy: 772.3587706779306
Energy: 760.8742021032241
Energy: 775.4698448034661
Energy: 772.1640425804128
Energy: 758.0197834230855
Energy: 774.5375757688008
Energy: 772.2719528992083
Energy: 758.9947060425678
Energy: 773.5299925516714
Energy: 751.6659682188496
Energy: 763.7139456277348
Energy: 766.5364613352107
Energy: 751.4017403018423
Energy: 761.6194693018923
Energy: 777.7430681638456
Energy: 775.6594589339963
Energy: 748.200519364859
Energy: 747.6229479856366
Energy: 765.3814571508991
Energy: 748.1900112050081
Energy: 746.9397295968216
Energy: 748.1358094561172
Energy: 750.3729696613941
Energy: 749.6276327565567
Energy: 748.1209657148725
Energy: 786.0382578040936
Energy: 749.3859096757841
Energy: 764.2517996305409
Energy: 782.3669644182902
Energy: 781.7885875624264
Energy: 764.4302553243182
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Energy: 781.7018908493885
Energy: 790.3535495282957
Energy: 750.0427219029486
Energy: 750.1549815640029
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Energy: 787.8030162194142
Energy: 749.7830587371998
Energy: 743.9487222129787
Energy: 785.7020696715298
Energy: 781.9041464765273
Energy: 743.7366884284658
Energy: 776.9934996923295
Energy: 780.8703246557312
Energy: 742.8785898011239
Energy: 784.8118112823744
Energy: 784.2260239680181
Energy: 742.8443297884535
Energy: 782.7734610978703
Energy: 781.7720311269313
Energy: 797.3800473942035
Energy: 779.2241113069791
Energy: 796.1524644637257
Energy: 751.5598630021684
Energy: 776.3630059024434
Energy: 759.1276338575341
Energy: 764.9714528786393
Energy: 772.2692464580293
Energy: 772.5416972901634
Energy: 757.9363910450295
Energy: 772.0490072455997
Energy: 773.052160260429
Energy: 765.0952465553399
Energy: 760.2830245429676
Energy: 760.8656214836798
Energy: 772.3142289935466
Energy: 760.9349792667325
Energy: 774.1081351733659
Energy: 747.7004671569262
Energy: 764.1686146243696
Energy: 762.278959254089
Energy: 747.663808907261
Energy: 764.5537158684533
Energy: 747.0528257647364
Energy: 761.8561341037175
Energy: 768.6646189827203
Energy: 764.9073603263237
Energy: 761.5352876870526
Energy: 769.7920580396578
Energy: 760.8175673498179
Energy: 780.7058323262994
Energy: 783.2115165308202
Energy: 783.0805037020596
Energy: 778.4367859605956
Energy: 748.789813720779
Energy: 783.8821803250769
Energy: 780.4357188539057
Energy: 750.6953500559641
Energy: 792.6738316060954
Energy: 781.8241493230034
Energy: 766.1935119798361
Energy: 788.7226882318068
Energy: 751.0014039531944
Energy: 779.1890513106025
Energy: 781.4655665618175
Energy: 750.9634851910783
Energy: 742.8229410793253
Energy: 780.4927514299586
Energy: 806.568835503695
Energy: 743.6034179387117
Energy: 742.8721522052775
Energy: 784.6376360390146
Energy: 744.0669961046682
Energy: 781.5788447879657
Energy: 768.9249960907366
Energy: 795.5525731086426
Energy: 796.0503006258475
Energy: 768.4891181635071
Energy: 792.714389721179
Energy: 766.7522149133251
Energy: 770.9679658392257
Energy: 762.0464451473011
Energy: 772.399675105328
Energy: 771.0596491004753
Energy: 761.0291434393498
Energy: 771.7373875854017

minimum gb energy = 742.6391817549793 eV
minimum distance =  0.89263909429535 Angstroms
sigma value = 43


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

Energy: 625.3738630692151
Energy: 640.75752745104
Energy: 634.4016233295051
Energy: 625.1583039608039
Energy: 628.9548169278471
Energy: 623.0369321858157
Energy: 650.2962267122061
Energy: 657.055937295355
Energy: 656.8752639001831
Energy: 650.7059791525872
Energy: 658.0270728194777
Energy: 654.8629913921349
Energy: 613.2306739584373
Energy: 629.5697991636014
Energy: 633.065153034908
Energy: 613.4090691877104
Energy: 634.0932038818546
Energy: 640.1788436727979
Energy: 609.8834438149017
Energy: 632.8825967188076
Energy: 637.0501942608284
Energy: 610.6114344289361
Energy: 632.1804725062556
Energy: 635.6602090175436
Energy: 610.1062688620947
Energy: 612.4416965849338
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Energy: 610.1617287061563
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Energy: 611.3855605221061
Energy: 612.7783051566639
Energy: 611.1270827153279
Energy: 611.3473508061211
Energy: 613.044914422723
Energy: 610.4477075248644
Energy: 611.9119901267252
Energy: 635.9770854348894
Energy: 610.7017589652195
Energy: 610.8616022332812
Energy: 636.2458221923048
Energy: 610.0832758198535
Energy: 610.4423274354587
Energy: 629.1039319408975
Energy: 624.8546225976299
Energy: 635.4808415323935
Energy: 629.1255673194752
Energy: 612.9102239887409
Energy: 640.4672507379515
Energy: 612.9073484548813
Energy: 657.0320903363233
Energy: 658.3640594374343
Energy: 612.7392289192095
Energy: 652.0937255035116
Energy: 657.5322791457356
Energy: 654.4946420617811
Energy: 630.8272380274939
Energy: 628.1353771556948
Energy: 626.1195520500331
Energy: 630.9700199340128
Energy: 627.6111553280805
Energy: 614.3927795734721
Energy: 639.2726624113637
Energy: 640.0177232444385
Energy: 614.5052991184385
Energy: 628.2972875405483
Energy: 654.2190655465413
Energy: 625.3594437335146
Energy: 635.5849521825866
Energy: 642.0917674144866
Energy: 636.1280851673805
Energy: 614.4362809363492
Energy: 640.4992910062098
Energy: 627.0096436072753
Energy: 641.5156968490726
Energy: 635.9546259087208
Energy: 626.7975126784752
Energy: 612.2410816126741
Energy: 635.7038193066115
Energy: 612.8249221975176
Energy: 610.4950959661355
Energy: 611.2703739981114
Energy: 613.283089101439
Energy: 610.1390759661581
Energy: 611.6731796566903
Energy: 611.4662864384168
Energy: 626.1522566959011
Energy: 611.7997797629508
Energy: 611.2286964176487
Energy: 621.6489955020071
Energy: 639.6833003909537
Energy: 609.5102075517005
Energy: 611.023236427117
Energy: 610.6376962494368
Energy: 609.6696206379294
Energy: 644.5270175259259
Energy: 610.9101929710163
Energy: 610.6438445285692
Energy: 633.3041445648828
Energy: 632.638779163594
Energy: 610.6760510732996
Energy: 628.1451538682209
Energy: 638.7607762322355
Energy: 612.5786494604654
Energy: 625.3137042074627
Energy: 611.5684158164102
Energy: 612.4042659261492
Energy: 636.1087741524456
Energy: 612.0478326758409
Energy: 624.8787893397014
Energy: 646.8613287698014
Energy: 644.2336097743736
Energy: 624.6956197075648
Energy: 627.2322372844802
Energy: 634.1991952508024
Energy: 624.7254147965554
Energy: 648.2454257778771
Energy: 646.0051785246609
Energy: 624.6525290136457
Energy: 627.2034943147535
Energy: 635.8946613099725
Energy: 614.1346292844866
Energy: 653.5289157391285
Energy: 640.2407769916616
Energy: 614.2194713551099
Energy: 642.5693546668873
Energy: 651.9487828167429
Energy: 624.1127546674977
Energy: 631.8859475148248
Energy: 628.5428546825073
Energy: 631.4281547344968
Energy: 621.4914700297984
Energy: 629.3243346657979
Energy: 611.6668381726362
Energy: 642.5535340969014
Energy: 642.9266084118781
Energy: 611.8905671975716
Energy: 647.250753610125
Energy: 648.5797334872807
Energy: 630.0680864819342
Energy: 612.4305324565194
Energy: 612.3331251435559
Energy: 630.3415015318326
Energy: 612.9174917081209
Energy: 639.4551184292059
Energy: 627.4610383475647
Energy: 609.8686923493215
Energy: 610.6104850669273
Energy: 627.2292203807888
Energy: 609.4421527250099
Energy: 611.0104024909499
Energy: 624.77788381328
Energy: 610.678897205696
Energy: 610.4546753612441
Energy: 624.5779896446192
Energy: 610.2722592950971
Energy: 611.3024423708908
Energy: 632.8322411190551
Energy: 612.1085975833151
Energy: 611.9521702829112
Energy: 633.8961176272996
Energy: 612.9952294429339
Energy: 611.753607362535
Energy: 611.078965924792
Energy: 642.0950751140477
Energy: 640.9201262123718
Energy: 611.2905427623958
Energy: 643.2497704635721
Energy: 640.2255975173508
Energy: 614.1028662476773
Energy: 633.321676146586
Energy: 630.1384313189914
Energy: 625.0618394535165
Energy: 622.8854392181566
Energy: 631.7229554626152
Energy: 654.3182720742781
Energy: 659.8653083004737
Energy: 660.1868622095687
Energy: 656.5649757518312
Energy: 613.3815433953066
Energy: 661.4913331128738
Energy: 625.0172451396965
Energy: 651.0714458915495
Energy: 634.2308632637724
Energy: 624.8085381610372
Energy: 630.5619114859712
Energy: 634.0601391039323

minimum gb energy = 609.4421527250099 eV
minimum distance =  0.653134633153276 Angstroms
sigma value = 57


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

Energy: 700.2246976432284
Energy: 744.6415327050674
Energy: 730.1820827715799
Energy: 699.3074629798488
Energy: 751.4000612058745
Energy: 729.2049198042819
Energy: 741.0964931678716
Energy: 728.2854998845137
Energy: 743.583783258269
Energy: 738.8662296104653
Energy: 727.2397029045138
Energy: 745.6234386724353
Energy: 709.811984957027
Energy: 726.1498504173377
Energy: 704.612761328928
Energy: 709.1384349417666
Energy: 724.8449096310726
Energy: 705.8535732439503
Energy: 729.882205887397
Energy: 704.2289282714352
Energy: 705.3872933126727
Energy: 707.1002692760674
Energy: 727.8094133928595
Energy: 718.5352386846535
Energy: 718.493898772108
Energy: 742.6401414464846
Energy: 707.8548107455761
Energy: 718.8933414728444
Energy: 743.8958531932844
Energy: 706.6718917513954
Energy: 705.948970995114
Energy: 734.8658239455467
Energy: 735.850466156333
Energy: 716.3308688497165
Energy: 735.977374788786
Energy: 719.1976182075126
Energy: 736.1846648553291
Energy: 705.4520710393908
Energy: 736.47281931618
Energy: 736.0874913612382
Energy: 706.2518283781499
Energy: 735.7912387744061
Energy: 701.6420965080248
Energy: 737.4467430683129
Energy: 736.183127363196
Energy: 702.0688831354989
Energy: 742.0201803520343
Energy: 736.8285988355616
Energy: 739.8198977217809
Energy: 730.9956954871988
Energy: 708.7960362877923
Energy: 738.8508885809472
Energy: 739.2727302293787
Energy: 752.9592247618106
Energy: 754.3368312183948
Energy: 721.8015940608827
Energy: 722.0897265788356
Energy: 731.0074659700804
Energy: 721.6710351860249
Energy: 702.1753215785818
Energy: 765.2279965878049
Energy: 702.009899116427
Energy: 731.1110877496614
Energy: 710.7713687003575
Energy: 702.09118932575
Energy: 733.1103919987202
Energy: 729.530813214524
Energy: 750.1144755111427
Energy: 744.5488204375664
Energy: 729.6422918201355
Energy: 718.342536583421
Energy: 732.1966036135534
Energy: 732.0060695432315
Energy: 740.7880655674528
Energy: 729.6395693957771
Energy: 731.7104277809867
Energy: 747.5866010915828
Energy: 729.4125407490168
Energy: 719.6070335469017
Energy: 719.2040682903308
Energy: 718.6142624931697
Energy: 709.4390876334053
Energy: 720.8159966644542
Energy: 725.4685701863865
Energy: 728.0190246656664
Energy: 725.6926200009412
Energy: 726.9625656601975
Energy: 718.7571340175442
Energy: 724.9308967272685
Energy: 704.7605482924606
Energy: 705.0529117905437
Energy: 719.9546823252462
Energy: 719.6456980629816
Energy: 706.2773199654706
Energy: 719.7078993226744
Energy: 719.026401137401
Energy: 715.2343530932387
Energy: 736.1595684202526
Energy: 735.7377562623894
Energy: 715.2848135421904
Energy: 737.7551275740457
Energy: 721.076915054507
Energy: 719.2420156198023
Energy: 706.2347735055217
Energy: 706.8885730747869
Energy: 719.0493592539669
Energy: 706.1644295357213
Energy: 718.8789413974548
Energy: 731.2202357581423
Energy: 736.2259373963698
Energy: 732.8657088006493
Energy: 731.1706353959846
Energy: 705.8100087975138
Energy: 732.6244418965642
Energy: 731.2501468621849
Energy: 740.4178118098438
Energy: 738.3055777194837
Energy: 730.5648105755926
Energy: 745.0509356629083
Energy: 737.3236070732079
Energy: 707.6728132195163
Energy: 730.5449459256286
Energy: 730.6828406451573
Energy: 707.6878255021653
Energy: 730.1400826415567
Energy: 730.463460688691
Energy: 755.0856982444966
Energy: 722.1311825280729
Energy: 722.665524495752
Energy: 730.8314427873768
Energy: 721.8105177455711
Energy: 702.9009502742698
Energy: 724.7599279321356
Energy: 735.3818921333468
Energy: 736.1019407295961
Energy: 721.3353269548377
Energy: 732.2117320771911
Energy: 739.1244779707984
Energy: 731.4121085781154
Energy: 744.6039886553824
Energy: 730.0087800939796
Energy: 731.6336149588561
Energy: 751.6980918668595
Energy: 728.6409656184528

minimum gb energy = 699.3074629798488 eV
minimum distance =  0.781266075438438 Angstroms
sigma value = 17


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

Energy: 677.2788387342102
Energy: 697.2681547200649
Energy: 696.1835750546909
Energy: 677.1616757978344
Energy: 700.2949623026318
Energy: 675.8719727692754
Energy: 708.3967410223846
Energy: 707.5812393541975
Energy: 706.0718894763585
Energy: 709.5588875001049
Energy: 669.4422342256022
Energy: 706.053525086899
Energy: 691.5105392473947
Energy: 684.223023747491
Energy: 686.4200537699905
Energy: 678.9418312928306
Energy: 684.7083369675738
Energy: 688.6286152346923
Energy: 666.9850464009529
Energy: 683.1472123050644
Energy: 685.7627473762437
Energy: 666.7486875488006
Energy: 684.0798783745005
Energy: 695.4422413656083
Energy: 691.2523486659721
Energy: 669.2516290823982
Energy: 682.4545777867661
Energy: 692.3551745244102
Energy: 668.8309991065041
Energy: 680.8637357110797
Energy: 682.8436206290602
Energy: 679.6397901088328
Energy: 677.2664515293079
Energy: 682.9553692926827
Energy: 678.1282831744486
Energy: 685.0195643179283
Energy: 667.595293036838
Energy: 665.086620215683
Energy: 665.7187701944011
Energy: 668.1257082659894
Energy: 664.6026640947887
Energy: 666.1240864014302
Energy: 669.4270114973316
Energy: 679.3975342476274
Energy: 680.2054782457857
Energy: 696.9121648907254
Energy: 678.9681839262844
Energy: 698.2154163609438
Energy: 664.853738115576
Energy: 666.7436548014005
Energy: 666.8250889861001
Energy: 664.7685658313887
Energy: 667.6471368757009
Energy: 665.9171539672134
Energy: 666.3776787195949
Energy: 685.1003706120349
Energy: 684.5090627866387
Energy: 666.4116925619802
Energy: 685.953480071067
Energy: 698.1653727048551
Energy: 669.3299496302695
Energy: 690.220076728975
Energy: 699.3491415307593
Energy: 669.1295670230951
Energy: 687.2921526514124
Energy: 701.5171401779633
Energy: 682.4313120008779
Energy: 690.1988373274692
Energy: 688.1387329873514
Energy: 682.1676799548586
Energy: 666.2672788775949
Energy: 699.5900349195526
Energy: 679.4608835261362
Energy: 690.0431214352553
Energy: 705.6928206043212
Energy: 679.6857272496786
Energy: 691.5474410368083
Energy: 702.0844936318648
Energy: 669.3225650352246
Energy: 712.0449814220331
Energy: 716.4896815190272
Energy: 669.2198253574322
Energy: 709.9525551617689
Energy: 716.3903277264974
Energy: 702.1826604449875
Energy: 682.797730558931
Energy: 681.4867515042813
Energy: 722.0446724883594
Energy: 681.698098554158
Energy: 682.4278085753009
Energy: 733.1599913861909
Energy: 709.8737795916674
Energy: 717.9626214593603
Energy: 728.9944540780907
Energy: 708.204568623659
Energy: 722.6242949331411
Energy: 676.1446391387282
Energy: 698.081684097341
Energy: 697.1838794316021
Energy: 676.0501524909174
Energy: 682.4041386403217
Energy: 695.4820839761463

minimum gb energy = 664.6026640947887 eV
minimum distance =  0.687622605914685 Angstroms
sigma value = 17


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

Energy: 877.9064301359309
Energy: 897.8517338957784
Energy: 870.4722655808544
Energy: 878.2222180310399
Energy: 878.990162018509
Energy: 877.3758196582826
Energy: 896.6009087954984
Energy: 891.7429112242578
Energy: 887.3715717766129
Energy: 895.812817829362
Energy: 905.9586283348644
Energy: 905.0237209507792
Energy: 862.958483582587
Energy: 869.9573245348421
Energy: 884.3735135816606
Energy: 866.9986539898938
Energy: 870.4577643605993
Energy: 885.0071741191787
Energy: 860.0950095967038
Energy: 883.8757295082044
Energy: 883.4943833751612
Energy: 868.4287066394927
Energy: 884.4652323666884
Energy: 883.5297124545532
Energy: 881.7090938174027
Energy: 861.6016348004041
Energy: 867.7039580475104
Energy: 882.1846383508964
Energy: 861.8173594406841
Energy: 867.6672318009424
Energy: 881.4568799323887
Energy: 883.1714343268252
Energy: 874.3534319537556
Energy: 881.4369636043865
Energy: 866.7032553967139
Energy: 874.8333108526563
Energy: 861.2061075038513
Energy: 859.5068084329228
Energy: 859.1992127471462
Energy: 860.6330816141993
Energy: 858.8972879562829
Energy: 860.1575107016371
Energy: 860.9241337834142
Energy: 876.5923285315827
Energy: 883.2203479557005
Energy: 861.0161143239845
Energy: 875.6513061825024
Energy: 888.5894032611731
Energy: 858.5032509204258
Energy: 866.2637844376642
Energy: 859.2740413542496
Energy: 858.6830027445009
Energy: 866.9338786721131
Energy: 859.4841845752596
Energy: 867.2665619676593
Energy: 884.2908449661395
Energy: 884.4104664840429
Energy: 866.833409514742
Energy: 874.3738487925999
Energy: 883.6531362900404
Energy: 866.058718055013
Energy: 859.1137457076392
Energy: 859.4312903462255
Energy: 866.0212854799757
Energy: 859.9931433080485
Energy: 868.4805915418141
Energy: 874.7270977072352
Energy: 859.0406704307766
Energy: 858.3356933015706
Energy: 874.3638894336574
Energy: 858.0695742459222
Energy: 858.8831174908938
Energy: 884.6461825217626
Energy: 884.1709905188616
Energy: 882.5440775017303
Energy: 885.5865203475533
Energy: 861.088990817508
Energy: 880.6131220627402
Energy: 858.7361422099034
Energy: 859.409612089419
Energy: 859.9985804437013
Energy: 858.867668843569
Energy: 889.7227447427431
Energy: 859.7457239296903
Energy: 893.5395086891868
Energy: 874.3218815738364
Energy: 874.1707183589649
Energy: 860.6614647605369
Energy: 873.7066311867366
Energy: 887.3036567711625
Energy: 861.0639913242843
Energy: 875.0352875591143
Energy: 875.2694517902037
Energy: 860.9773475886084
Energy: 887.0638673658586
Energy: 860.6070368743666
Energy: 879.7793098532884
Energy: 890.341680566621
Energy: 889.3337566689489
Energy: 879.7111841972751
Energy: 877.7077250901739
Energy: 871.7225720497607
Energy: 879.1436981894589
Energy: 896.115561288893
Energy: 891.6988050108024
Energy: 879.2980292750289
Energy: 879.8140866573298
Energy: 873.0061268684001
Energy: 862.2948704085087
Energy: 899.9402326251802
Energy: 887.029656579286
Energy: 861.0705705937745
Energy: 882.8809931727174
Energy: 888.5454154273773
Energy: 912.011598864827
Energy: 869.4375534616795
Energy: 868.0272700153498
Energy: 873.6786175512613
Energy: 869.8902129429194
Energy: 881.95528931778
Energy: 888.5991876238331
Energy: 889.5741541250635
Energy: 906.4228407452445
Energy: 862.753544105681
Energy: 889.3341092027359
Energy: 908.6605706916808
Energy: 877.9405124015092
Energy: 899.1817945664799
Energy: 890.3462988057831
Energy: 877.9023083902408
Energy: 882.8076158880043
Energy: 871.2723215792523
Energy: 877.5993047328332
Energy: 898.9926318272463
Energy: 896.0756703184396
Energy: 877.6188361778386
Energy: 888.0309368944496
Energy: 890.0714899066911
Energy: 863.1449312589441
Energy: 886.0891991581058
Energy: 882.8548435312628
Energy: 863.1209050340469
Energy: 884.4725100600184
Energy: 884.7542048946231
Energy: 899.8149735503093
Energy: 870.7339064861295
Energy: 884.2198051243938
Energy: 865.7725604142844
Energy: 871.482457609878
Energy: 883.7901148979713
Energy: 859.9273235242869
Energy: 861.5230070002043
Energy: 860.6522318402101
Energy: 860.0031165964366
Energy: 869.5451945967271
Energy: 860.3342282740404
Energy: 881.3068761732819
Energy: 867.7057489836884
Energy: 881.280823368385
Energy: 881.4281070506107
Energy: 867.3597007023973
Energy: 875.4979775903944
Energy: 876.6117198471586
Energy: 858.8315524705804
Energy: 882.3990913541583
Energy: 876.2489987872074
Energy: 858.3773106046896
Energy: 882.6939488078443
Energy: 862.0574494123621
Energy: 884.0135509951133
Energy: 866.8147672575276
Energy: 861.6020858021116
Energy: 881.4971362432309
Energy: 861.172771205774
Energy: 859.5006952460868
Energy: 877.2172041980633
Energy: 881.9913740570255
Energy: 859.485809640953
Energy: 876.6428047200147
Energy: 881.8364221337296
Energy: 858.9811524819626
Energy: 860.5111355525272
Energy: 885.5730058062816
Energy: 859.1011778202836
Energy: 883.2573466375756
Energy: 859.5999772826549
Energy: 868.1075398661258
Energy: 883.0111763011193
Energy: 860.4704591561895
Energy: 867.9174966760651
Energy: 883.7560782799653
Energy: 860.710663445909
Energy: 860.2602925874111
Energy: 858.9204081855668
Energy: 858.1891072867197
Energy: 859.9335091925451
Energy: 858.2128839388404
Energy: 858.975819247034
Energy: 884.3418542757755
Energy: 883.2292014454499
Energy: 879.5221895975329
Energy: 884.9175442084199
Energy: 885.1922720267002
Energy: 887.4558885954492
Energy: 877.2970770486297
Energy: 860.920122882976
Energy: 860.4285034073799
Energy: 859.3235149249759
Energy: 859.9804449986086
Energy: 860.1167290183232
Energy: 859.3447878592244
Energy: 873.1419572426688
Energy: 884.9760113568734
Energy: 859.2917736656628
Energy: 874.1269499116033
Energy: 884.5411800283459
Energy: 861.8278570032143
Energy: 886.6547489559694
Energy: 888.7038739500342
Energy: 861.2424750028825
Energy: 885.4221411695817
Energy: 890.2022802360382
Energy: 872.8434605685808
Energy: 859.4780060962961
Energy: 891.5375069697612
Energy: 885.7960871092138
Energy: 859.0507733741929
Energy: 891.1430284191033
Energy: 879.5809256448474
Energy: 891.0303456871145
Energy: 872.4511514124891
Energy: 879.5950167883503
Energy: 873.9797518322175
Energy: 873.6838415303695
Energy: 897.1727500370316
Energy: 905.6807474076098
Energy: 900.769629428658
Energy: 874.4723955764105
Energy: 897.0349548613256
Energy: 907.4881448024726
Energy: 911.1770105409538
Energy: 868.6790092962192
Energy: 882.0222820074583
Energy: 876.6783983614104
Energy: 869.7616389185183
Energy: 881.4338081243641
Energy: 863.9682102793921
Energy: 882.0009532697078
Energy: 882.8171270247059
Energy: 862.9464812740066
Energy: 881.6195048754092
Energy: 889.4309683153335
Energy: 871.095519251326
Energy: 886.2236528148517
Energy: 898.2371677814623
Energy: 871.3627072361978
Energy: 862.0727227277972
Energy: 890.8413999596993

minimum gb energy = 858.0695742459222 eV
minimum distance =  0.714423884596463 Angstroms
sigma value = 57


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

Energy: 1065.726805008151
Energy: 1085.3544812450452
Energy: 1072.902498155426
Energy: 1065.6757863768535
Energy: 1074.399055642351
Energy: 1074.462097975508
Energy: 1093.2921062306605
Energy: 1105.047199820783
Energy: 1104.5616445895348
Energy: 1094.5180608255723
Energy: 1056.5449717459974
Energy: 1076.3429145711893
Energy: 1056.7184580823603
Energy: 1069.9067576674197
Energy: 1069.9253600313407
Energy: 1062.8136085563924
Energy: 1069.9964936879667
Energy: 1083.341399892307
Energy: 1055.0295415135067
Energy: 1069.483685797485
Energy: 1081.9773920019043
Energy: 1055.2542127398717
Energy: 1069.8566226598405
Energy: 1078.8615282967323
Energy: 1076.054362940716
Energy: 1065.7274633755997
Energy: 1064.6273788005724
Energy: 1076.6191219863601
Energy: 1056.1233692828457
Energy: 1076.372587077219
Energy: 1068.841990517734
Energy: 1085.3982257924106
Energy: 1076.3452146448155
Energy: 1068.823981920375
Energy: 1061.327728559275
Energy: 1077.550189016955
Energy: 1056.2614369772061
Energy: 1054.752368290651
Energy: 1054.3092603163363
Energy: 1055.8676800336905
Energy: 1052.871920585922
Energy: 1055.0999195367717
Energy: 1056.3285300763387
Energy: 1075.811740489441
Energy: 1077.163213622129
Energy: 1056.3763001775774
Energy: 1074.9738667220035
Energy: 1076.3592552626737
Energy: 1052.712669293634
Energy: 1081.9891560361684
Energy: 1074.0249581177031
Energy: 1053.2682269949078
Energy: 1077.257023617574
Energy: 1074.7093940970385
Energy: 1075.840494447371
Energy: 1055.8911440830927
Energy: 1055.9165018510394
Energy: 1076.5160883766225
Energy: 1056.5170555242023
Energy: 1055.152320389321
Energy: 1068.9993943370814
Energy: 1054.273415762719
Energy: 1062.9209498267205
Energy: 1069.066157315289
Energy: 1053.6707930679572
Energy: 1075.6352869960226
Energy: 1056.200118137628
Energy: 1053.790686023117
Energy: 1054.2364377370143
Energy: 1055.8603887206161
Energy: 1053.3083270710458
Energy: 1054.6780452379232
Energy: 1069.5279108449004
Energy: 1063.0941105941472
Energy: 1083.0463351072397
Energy: 1055.5442686667452
Energy: 1063.932492277976
Energy: 1084.10063921762
Energy: 1052.535088494617
Energy: 1054.7189708367684
Energy: 1054.1028708162169
Energy: 1052.749761268378
Energy: 1055.4791823531327
Energy: 1054.0744567902827
Energy: 1054.09275075613
Energy: 1081.90696016195
Energy: 1081.9111741643337
Energy: 1054.794658399641
Energy: 1080.517642734889
Energy: 1082.3653266622707
Energy: 1056.527973481591
Energy: 1053.2184964125374
Energy: 1054.4339046424152
Energy: 1056.2747707260628
Energy: 1054.3277728881956
Energy: 1054.850017446228
Energy: 1066.1976839268739
Energy: 1054.0285389951541
Energy: 1078.329315623098
Energy: 1065.872150720401
Energy: 1053.1121519841286
Energy: 1079.4610257866489
Energy: 1078.5153224229593
Energy: 1085.9306920326778
Energy: 1084.304371465508
Energy: 1078.6519280772015
Energy: 1056.0287071038704
Energy: 1083.8071971190855
Energy: 1053.9425932079334
Energy: 1078.975805707919
Energy: 1082.1323518366814
Energy: 1054.0685291125794
Energy: 1079.4763741075883
Energy: 1054.4261402547966
Energy: 1080.6984993189385
Energy: 1072.9323150279683
Energy: 1073.0024788561834
Energy: 1055.661582671921
Energy: 1072.9899849917033
Energy: 1085.6914282631756
Energy: 1056.9790089764258
Energy: 1069.3807716573838
Energy: 1054.9889974678083
Energy: 1056.974270786851
Energy: 1070.0433605145215
Energy: 1055.336522183265
Energy: 1062.1222852375124
Energy: 1090.5475814522915
Energy: 1073.6427455087412
Energy: 1061.8259425520446
Energy: 1068.3885500841072
Energy: 1074.8341700007863
Energy: 1075.9411326600668
Energy: 1071.6010934249575
Energy: 1094.3388358204115
Energy: 1075.8962107680886
Energy: 1072.6936952378057
Energy: 1090.9891976919896
Energy: 1056.8385839241269
Energy: 1081.7371691874819
Energy: 1092.7004712989299
Energy: 1057.0763365215623
Energy: 1080.6681147100026
Energy: 1094.3416118504467
Energy: 1098.0292256382525
Energy: 1068.8472034971012
Energy: 1068.2742310327942
Energy: 1068.538430245397
Energy: 1069.348878929327
Energy: 1080.471676765037
Energy: 1078.8563726982427
Energy: 1109.1551886974369
Energy: 1110.336873259408
Energy: 1078.5888481010866
Energy: 1084.3042373889016
Energy: 1108.8360528779747
Energy: 1065.6117851795295
Energy: 1085.2979411391698
Energy: 1072.518485695108
Energy: 1065.5728396323993
Energy: 1076.0529206283054
Energy: 1073.9339469406734

minimum gb energy = 1052.535088494617 eV
minimum distance =  0.712381567003237 Angstroms
sigma value = 43


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

Energy: 735.3518579397768
Energy: 756.572177965473
Energy: 749.5949994134667
Energy: 735.1463317822573
Energy: 748.6357963719834
Energy: 741.6915967718654
Energy: 765.0676582774603
Energy: 777.8170935509501
Energy: 777.6023507821179
Energy: 766.3061009152323
Energy: 728.4402307875386
Energy: 748.3534712052224
Energy: 728.2360453203638
Energy: 739.1666054959474
Energy: 746.7039121843338
Energy: 744.0214107260222
Energy: 739.444802995679
Energy: 746.2223086801719
Energy: 727.2050150024469
Energy: 746.734759000552
Energy: 745.8981269001644
Energy: 726.9461971788114
Energy: 739.0930767316916
Energy: 755.8296174008361
Energy: 752.694480464107
Energy: 733.8969812094801
Energy: 733.4738426410047
Energy: 753.1690633811127
Energy: 728.0881323171216
Energy: 750.9584092505066
Energy: 737.301393803865
Energy: 759.9768606981297
Energy: 751.715211223392
Energy: 737.1129930915945
Energy: 739.7984059226512
Energy: 744.0861432848138
Energy: 758.8454098034952
Energy: 726.1701985234469
Energy: 726.4860438068212
Energy: 759.7730351189061
Energy: 726.5824709117825
Energy: 726.5691786206548
Energy: 727.6252387374136
Energy: 742.042026775197
Energy: 750.5762170328899
Energy: 727.644960166152
Energy: 740.9303032919448
Energy: 750.3631837025187
Energy: 725.242553350189
Energy: 749.3730785192726
Energy: 752.859596525497
Energy: 725.3506192175845
Energy: 750.1351173344448
Energy: 752.7113371429353
Energy: 746.4430338628955
Energy: 727.7423193645839
Energy: 727.0661320518019
Energy: 751.1519285002961
Energy: 728.0357516780184
Energy: 733.2553887586425
Energy: 739.6791542912313
Energy: 751.1111318795522
Energy: 748.4983186151234
Energy: 739.5124674408848
Energy: 725.8357410378844
Energy: 747.0129375780776
Energy: 727.3302757096692
Energy: 725.4553863109556
Energy: 725.7262658409358
Energy: 727.2794941563166
Energy: 725.2015961070947
Energy: 725.8995495655774
Energy: 727.1442193450156
Energy: 743.0314987335157
Energy: 749.7267592766233
Energy: 726.6790068634679
Energy: 747.6456766460652
Energy: 754.5809789020943
Energy: 724.3515554472433
Energy: 725.8670170370438
Energy: 725.315963711624
Energy: 724.5182333888245
Energy: 754.400700363874
Energy: 725.290653183853
Energy: 747.7944145791789
Energy: 727.3264958315581
Energy: 753.9749886164434
Energy: 742.8913811852451
Energy: 728.0217805737323
Energy: 726.8373483729878
Energy: 750.1053184396147
Energy: 725.3498292892646
Energy: 725.7931058515408
Energy: 749.9542318015266
Energy: 725.3280974830367
Energy: 726.1609225549627
Energy: 727.1945907353369
Energy: 725.1314031070063
Energy: 725.4106013895591
Energy: 726.9478253661803
Energy: 724.8419508153702
Energy: 724.9404458749185
Energy: 725.9405357677705
Energy: 727.3528886494156
Energy: 726.9633380806763
Energy: 725.9424609665989
Energy: 727.3916269986349
Energy: 726.3102999774254
Energy: 723.4650203545376
Energy: 726.1660958341731
Energy: 725.3135801179146
Energy: 723.6431816552433
Energy: 754.379778908798
Energy: 724.2324227272906
Energy: 726.3560727128421
Energy: 746.5327208247302
Energy: 751.3118119089983
Energy: 725.8035978246032
Energy: 745.8500648082481
Energy: 751.9232182035036
Energy: 727.2495774233337
Energy: 725.3010621933171
Energy: 725.6160949085936
Energy: 727.0229485485621
Energy: 725.0337733679254
Energy: 724.9665466369166
Energy: 751.3079593405288
Energy: 724.9835718647821
Energy: 745.7965786715364
Energy: 751.1369167823635
Energy: 725.5521384422847
Energy: 750.2284908028249
Energy: 749.2859932701607
Energy: 727.4471895530667
Energy: 754.7984613651989
Energy: 750.0250411184691
Energy: 728.0625663074193
Energy: 752.8373013798087
Energy: 724.7667759738067
Energy: 753.5631104731249
Energy: 752.1017441178874
Energy: 724.8217530204531
Energy: 754.3508599501741
Energy: 744.2882044737464
Energy: 727.1977855442461
Energy: 743.104156454928
Energy: 753.4771355260248
Energy: 726.6932433300193
Energy: 745.588588590676
Energy: 754.5845272480868
Energy: 758.5605264857513
Energy: 725.0393612961046
Energy: 726.0916505794498
Energy: 727.3175423381653
Energy: 725.8569120498381
Energy: 726.1309466595288
Energy: 738.3921429858527
Energy: 754.7531474523114
Energy: 752.8596080698857
Energy: 738.214784806878
Energy: 726.1939147571094
Energy: 745.4582714372906
Energy: 749.2939384541249
Energy: 727.2010406470072
Energy: 727.340208119811
Energy: 754.3508289748848
Energy: 728.2369392176093
Energy: 758.2518620390985
Energy: 726.0876051209989
Energy: 747.7220847507384
Energy: 756.4411106179016
Energy: 726.2118069047634
Energy: 748.3348676128207
Energy: 756.969369831568
Energy: 727.9762650648905
Energy: 740.9683688652474
Energy: 748.8131747517904
Energy: 738.919827172361
Energy: 739.7428803836044
Energy: 748.2812759143828
Energy: 762.9560392866658
Energy: 764.4785745471222
Energy: 771.1801658995636
Energy: 764.3903008287673
Energy: 726.2490475535326
Energy: 771.5892931860976
Energy: 736.2949617757201
Energy: 765.3684638658206
Energy: 750.6313046878793
Energy: 736.1000878122805
Energy: 744.0841411981211
Energy: 742.8886101172761
Energy: 751.655602998886
Energy: 738.6955330990896
Energy: 746.1294072976876
Energy: 752.1082695182615
Energy: 728.5558957923149
Energy: 746.1557551320951
Energy: 728.7101819420568
Energy: 745.5110077811834
Energy: 744.6962544558647
Energy: 748.5440940260323
Energy: 737.6883078324779
Energy: 754.5687182895036
Energy: 727.9262158476713
Energy: 737.7989354643558
Energy: 745.2624699617461
Energy: 748.409461833497
Energy: 738.247604075188
Energy: 744.4976750591022
Energy: 760.5161853539021
Energy: 781.3228192345268
Energy: 781.0187261673847
Energy: 767.9204830668021
Energy: 781.8734111107761
Energy: 749.8601653081075

minimum gb energy = 723.4650203545376 eV
minimum distance =  0.711555718490933 Angstroms
sigma value = 81


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

Energy: 588.3795674126667
Energy: 661.7136950769461
Energy: 593.1999376632049
Energy: 588.9174301801634
Energy: 662.8109166776517
Energy: 588.5159348958824
Energy: 682.3968247340007
Energy: 716.1989454494035
Energy: 711.4099505730779
Energy: 670.7231886067125
Energy: 728.8340890335917
Energy: 663.1588627502339
Energy: 726.1400755927646
Energy: 588.4989124758466
Energy: 588.556573499457
Energy: 670.5602918965626
Energy: 588.5203169312016
Energy: 594.9051919098248
Energy: 733.8296361972748
Energy: 588.5338160588406
Energy: 588.5658109825291
Energy: 667.1589888040602
Energy: 589.0906316953129
Energy: 595.0863482162406
Energy: 594.9579794482825
Energy: 722.8639163762872
Energy: 677.897665813143
Energy: 595.1284967920029
Energy: 740.9238472263127
Energy: 668.1839368927183
Energy: 588.5702640348608
Energy: 661.5023196441972
Energy: 593.179358144222
Energy: 589.0990803177232
Energy: 665.2758514444715
Energy: 588.5380431847072
Energy: 672.1736409087487
Energy: 713.9604161032423
Energy: 710.8227202521682
Energy: 671.7760003010598
Energy: 723.0130643966063
Energy: 662.8135090566798
Energy: 718.6777079344114
Energy: 588.5303075554912
Energy: 588.5284206699646
Energy: 672.5021500268915
Energy: 588.5431385000479
Energy: 594.7424657626333
Energy: 717.3240605025908
Energy: 592.8476693408136
Energy: 595.1569340927457
Energy: 670.5793129580543
Energy: 588.5058846389418
Energy: 595.3104776335219
Energy: 588.5964099178291
Energy: 674.2111747797134
Energy: 674.3115522227731
Energy: 588.5434685853938
Energy: 677.0332587844886
Energy: 663.7649399437058

minimum gb energy = 588.3795674126667 eV
minimum distance =  0.483338763809449 Angstroms
sigma value = 3


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

Energy: 677.6057111951882
Energy: 693.1330238354961
Energy: 683.2161245432267
Energy: 677.5271869934635
Energy: 675.6765652405371
Energy: 674.4070270095749
Energy: 701.8757563724503
Energy: 717.4712143500659
Energy: 716.3542620782641
Energy: 703.666904951157
Energy: 718.6268045429719
Energy: 714.825644482948
Energy: 664.1534130714664
Energy: 679.5634897990336
Energy: 679.1239736267132
Energy: 683.6884646601073
Energy: 680.0041247608909
Energy: 687.723828218482
Energy: 663.9520794079209
Energy: 679.4184997963164
Energy: 679.3565660052965
Energy: 675.5424136933206
Energy: 679.589371681231
Energy: 689.4714474159902
Energy: 685.7305854105833
Energy: 673.7428766436344
Energy: 681.1844729899523
Energy: 686.2320372650379
Energy: 661.9204440744949
Energy: 681.2597750006558
Energy: 678.823408752166
Energy: 693.9324463101365
Energy: 684.762790138966
Energy: 678.7696250879791
Energy: 682.3125041032986
Energy: 675.8825563410093
Energy: 693.2370379695416
Energy: 705.318544799521
Energy: 693.5551682334992
Energy: 694.1795971328573
Energy: 662.978136345667
Energy: 662.6607098778351
Energy: 661.9610554224308
Energy: 682.4197788219589
Energy: 681.8742037970364
Energy: 672.4756854868349
Energy: 673.662470703328
Energy: 681.6373152687843
Energy: 662.8427253524594
Energy: 682.8666456243296
Energy: 690.3183775799247
Energy: 662.4067384725405
Energy: 682.1941171745427
Energy: 693.8983205819621
Energy: 690.4220652817376
Energy: 660.7963382472506
Energy: 661.2448196209234
Energy: 690.3749390088872
Energy: 660.0638295293649
Energy: 684.773398983362
Energy: 681.5420183517814
Energy: 674.0238738532801
Energy: 690.5388884555896
Energy: 681.652359750478
Energy: 661.183955401328
Energy: 680.6074370285509
Energy: 684.8389332963734
Energy: 662.774937918919
Energy: 661.114447977533
Energy: 685.9871807584182
Energy: 662.6908960709987
Energy: 660.567604424758
Energy: 660.5802885481795
Energy: 677.1544066987238
Energy: 685.9913820271897
Energy: 660.6901033964073
Energy: 677.7162433612792
Energy: 686.005268577733
Energy: 662.4840941533248
Energy: 681.854509773575
Energy: 689.5361349720716
Energy: 662.2507800527314
Energy: 681.0605809163767
Energy: 690.4261738301041
Energy: 688.7960690407169
Energy: 659.7915877721475
Energy: 660.72448980006
Energy: 688.3446027349014
Energy: 659.1539863931598
Energy: 684.4761720768483
Energy: 681.7639808356973
Energy: 661.4379045356056
Energy: 661.8117080643983
Energy: 681.8122032989603
Energy: 660.9562191697767
Energy: 688.7784217193387
Energy: 659.8550535092722
Energy: 661.9125255666136
Energy: 660.5552942470057
Energy: 659.8004553554687
Energy: 662.7447623697261
Energy: 660.4380872781641
Energy: 660.1715443229988
Energy: 674.3893666175727
Energy: 661.4284957079782
Energy: 659.539578631151
Energy: 685.3735033548269
Energy: 660.8027347885535
Energy: 679.9183566250304
Energy: 660.6940892059918
Energy: 661.2687521260993
Energy: 679.9308353230293
Energy: 661.2002726665062
Energy: 660.9264426689546
Energy: 689.5916602477985
Energy: 659.8557565758837
Energy: 659.3106368148399
Energy: 689.2345133040782
Energy: 659.0564817840869
Energy: 660.0567419336462
Energy: 662.618214092035
Energy: 661.1540198737525
Energy: 690.720247041229
Energy: 662.3079982069652
Energy: 686.8993309858779
Energy: 661.9843448447754
Energy: 659.8080248738537
Energy: 685.6075028366109
Energy: 678.2953626885093
Energy: 659.8247971825589
Energy: 686.9081193704653
Energy: 660.6773759977805
Energy: 683.1395555197523
Energy: 662.4320054778556
Energy: 662.2004444840753
Energy: 683.9637178746437
Energy: 662.6680194761293
Energy: 661.4845128647705
Energy: 683.0243490167055
Energy: 661.0770578090651
Energy: 686.0138315248962
Energy: 683.0598995532954
Energy: 660.7779465727682
Energy: 681.6055363995886
Energy: 663.209158324635
Energy: 660.2973115849061
Energy: 660.8336831639198
Energy: 662.993831877132
Energy: 659.6536752289385
Energy: 661.484698388401
Energy: 662.7163940596918
Energy: 678.4230188197402
Energy: 685.4541305276324
Energy: 661.9957211185023
Energy: 675.0094889847793
Energy: 684.9997317526571
Energy: 660.88483202845
Energy: 684.373847355278
Energy: 684.1909383911321
Energy: 660.996016350594
Energy: 684.6946766560649
Energy: 687.8577729082973
Energy: 685.1237160411257
Energy: 662.943074424896
Energy: 680.6428481517443
Energy: 685.4674251680169
Energy: 663.2763352404396
Energy: 688.5198992309057
Energy: 680.028445713013
Energy: 694.0250010694123
Energy: 685.5251257270099
Energy: 679.9571241198987
Energy: 666.293782776586
Energy: 676.8695253238398
Energy: 670.6092345524229
Energy: 662.2948871927322
Energy: 705.8479817818322
Energy: 670.5061374399879
Energy: 675.6438726928977
Energy: 705.8018730884805
Energy: 672.269805630548
Energy: 681.2226148114983
Energy: 680.7862726115874
Energy: 678.6554347875126
Energy: 672.4975235839738
Energy: 680.6538650664286
Energy: 662.632208888859
Energy: 681.6625469275771
Energy: 691.4181745478617
Energy: 670.5878582300224
Energy: 681.1816304587649
Energy: 700.0927378374763
Energy: 683.4808144895104
Energy: 692.1998274419286
Energy: 698.3993285229324
Energy: 683.4568277837874
Energy: 683.8896677097794
Energy: 697.8664134633632

minimum gb energy = 659.0564817840869 eV
minimum distance =  0.674283361933825 Angstroms
sigma value = 67


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

Energy: 930.1103354699736
Energy: 957.2040543859528
Energy: 941.6456639824214
Energy: 929.9108568524325
Energy: 946.2645073036751
Energy: 941.859072427021
Energy: 963.4514337791585
Energy: 981.3874855660042
Energy: 979.8889313469961
Energy: 960.8867364054063
Energy: 983.021954751999
Energy: 975.6949480103802
Energy: 980.7143939875779
Energy: 933.4866686229736
Energy: 948.4310723622963
Energy: 945.2710741450206
Energy: 932.3755089949647
Energy: 947.1811431538666
Energy: 928.0127989937959
Energy: 949.1567636525579
Energy: 948.3779956916269
Energy: 945.578593641729
Energy: 933.4397430474721
Energy: 948.1204553737423
Energy: 961.2118294192726
Energy: 926.2197345822487
Energy: 941.8300523517485
Energy: 962.212739226103
Energy: 925.3743712465665
Energy: 942.7787177137837
Energy: 931.8777888655464
Energy: 955.4581569174845
Energy: 944.6075689285015
Energy: 945.146955411115
Energy: 939.5303113390328
Energy: 944.342154046217
Energy: 956.7928539889554
Energy: 926.838531228952
Energy: 969.7132167750914
Energy: 957.4426540684691
Energy: 926.4045231383254
Energy: 926.5352673665066
Energy: 925.1336256015578
Energy: 936.2302443924106
Energy: 936.9546459154654
Energy: 924.6746666818657
Energy: 937.4044367982641
Energy: 951.6868810256848
Energy: 925.8741593783304
Energy: 953.9190831234735
Energy: 956.72446735679
Energy: 927.3995247258009
Energy: 953.567250759144
Energy: 957.0404412122839
Energy: 954.7154995324128
Energy: 924.4929510791096
Energy: 924.1397124238104
Energy: 954.6847347052487
Energy: 923.9679692667017
Energy: 944.38480332434
Energy: 951.4005068610073
Energy: 925.7921316653652
Energy: 955.5180678925616
Energy: 951.9435353259096
Energy: 925.833514915084
Energy: 954.6896945329615
Energy: 923.7725552202622
Energy: 936.7763159395199
Energy: 925.6406182009326
Energy: 924.1138989054896
Energy: 936.956831164735
Energy: 924.9135221230331
Energy: 924.2621952360377
Energy: 940.0338262146184
Energy: 925.5929233612591
Energy: 923.0186630581142
Energy: 940.0757897321276
Energy: 924.6885535593145
Energy: 949.1633729090812
Energy: 924.4338045353996
Energy: 925.2260836122003
Energy: 950.174677104218
Energy: 951.3278974134804
Energy: 925.4036386495405
Energy: 954.9214562814084
Energy: 922.739652694126
Energy: 923.5251455784028
Energy: 954.8073916320972
Energy: 923.6892535860508
Energy: 925.2880471186493
Energy: 925.9416125132531
Energy: 933.4911662589622
Energy: 956.6733266795438
Energy: 926.9747348842328
Energy: 947.8995008655801
Energy: 925.1541514346864
Energy: 923.7256084223811
Energy: 938.711067860101
Energy: 939.4491681336619
Energy: 923.9434679388654
Energy: 940.0108223895948
Energy: 947.0886419443258
Energy: 948.4269056161926
Energy: 926.43344124418
Energy: 926.4953376802991
Energy: 947.5740497099633
Energy: 927.5171185661513
Energy: 924.7241086359297
Energy: 933.7325989980964
Energy: 949.0129219188427
Energy: 947.1171761818017
Energy: 946.7814843370973
Energy: 933.2236818463791
Energy: 946.5309509962258
Energy: 956.8133566816391
Energy: 924.5883446097113
Energy: 934.1204488729336
Energy: 950.3182418148002
Energy: 925.0687040010466
Energy: 935.1149343023818
Energy: 927.6410395129709
Energy: 951.5400696303075
Energy: 950.8897352965957
Energy: 937.7994818723938
Energy: 935.5442921302084
Energy: 950.7932284964733
Energy: 941.9967161175659
Energy: 935.0859561525667
Energy: 950.553156838437
Energy: 935.8962290549978
Energy: 933.82969633251
Energy: 949.7155110993754
Energy: 951.1697034583742
Energy: 976.5833783731069
Energy: 974.989328425077
Energy: 951.6135724421054
Energy: 927.1947119614479
Energy: 951.3264741578585

minimum gb energy = 922.739652694126 eV
minimum distance =  0.787936725004377 Angstroms
sigma value = 33


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

Energy: 743.0088284752081
Energy: 760.5975520650477
Energy: 759.3326395512096
Energy: 744.0115605790509
Energy: 758.4899617308772
Energy: 741.7437392688386
Energy: 772.5495787474904
Energy: 780.2013038033521
Energy: 772.3667595545933
Energy: 774.5028352440199
Energy: 790.6832788596464
Energy: 757.2141683329642
Energy: 770.2342991122069
Energy: 753.7325946492462
Energy: 753.7422776760799
Energy: 751.6687048520596
Energy: 753.8505504603344
Energy: 744.9800576883458
Energy: 772.2350844901914
Energy: 754.3450401067463
Energy: 746.8187788006014
Energy: 753.832407562381
Energy: 753.8393576359433
Energy: 745.5898523354875
Energy: 765.9803004135855
Energy: 731.8770183410651
Energy: 755.1313651710587
Energy: 766.7792759548082
Energy: 777.503977204764
Energy: 751.6288068168146
Energy: 745.148948219318
Energy: 752.4669779387283
Energy: 764.5093311899333
Energy: 746.3009717631337
Energy: 751.8422848136312
Energy: 745.9300838554782
Energy: 762.5293089426143
Energy: 733.9792902405586
Energy: 733.1136377526036
Energy: 763.9769690844744
Energy: 734.3357016408089
Energy: 731.6409856718606
Energy: 730.3896750494463
Energy: 761.5018115365152
Energy: 761.1918006245588
Energy: 730.4126817230175
Energy: 761.9745982268753
Energy: 751.097551443447
Energy: 745.5589935979634
Energy: 749.3272085735462
Energy: 760.2701742630156
Energy: 733.5508970246972
Energy: 748.055988218929
Energy: 762.2618361696802
Energy: 759.6846423527414
Energy: 729.6120984400158
Energy: 730.9439879812815
Energy: 759.33286231749
Energy: 730.0154228997411
Energy: 756.8169925595028
Energy: 748.7331412445484
Energy: 730.9323083692938
Energy: 762.5293213690884
Energy: 748.9964559523831
Energy: 742.2981327980818
Energy: 761.5686587953622
Energy: 729.429753708208
Energy: 741.1975489759699
Energy: 741.8365216138075
Energy: 729.5386008469497
Energy: 731.3941899969583
Energy: 741.5658574752815
Energy: 730.2145526112012
Energy: 732.9021110768026
Energy: 731.7574230841764
Energy: 730.3157574374072
Energy: 764.641735072364
Energy: 730.9274944899698
Energy: 748.5881278796882
Energy: 741.324974852851
Energy: 762.1501780514265
Energy: 748.7003058366413
Energy: 743.6778836951415
Energy: 751.4986112570692
Energy: 751.6890616139482
Energy: 744.783377902124
Energy: 743.2317671925468
Energy: 751.5114709534613
Energy: 731.2569385297325
Energy: 741.8202883905437
Energy: 734.0650401217655
Energy: 750.0240386922871
Energy: 749.6247817916753
Energy: 733.5061150230312
Energy: 747.4416623869025
Energy: 761.6775981957944
Energy: 747.591216150521
Energy: 755.7964631010581
Energy: 755.8750611251817
Energy: 770.7045002218861
Energy: 755.8871905824554
Energy: 747.9842471533176
Energy: 772.3360389686388
Energy: 781.1680077206014
Energy: 782.4709012750454
Energy: 774.2686913584973
Energy: 746.215184701043
Energy: 765.7253898163364
Energy: 744.2104001513458
Energy: 761.2590613266245
Energy: 759.3015378234753
Energy: 743.8974966287652
Energy: 758.5129190569612
Energy: 741.6716927858969
Energy: 759.5279728646904
Energy: 779.9674982215555
Energy: 764.760866527591
Energy: 760.2186032809022
Energy: 783.5034156279315
Energy: 762.1176908967549
Energy: 772.3116715135845
Energy: 754.0032631103196
Energy: 746.4104343772573
Energy: 753.7635023430036
Energy: 753.9948854887375
Energy: 744.5838504661689
Energy: 771.8926647215893
Energy: 754.0219715056438
Energy: 746.0937152618687
Energy: 752.1404146510823
Energy: 753.7516422731431
Energy: 745.8384253841316
Energy: 768.9735125708758
Energy: 771.3787655880702
Energy: 732.8870058741402
Energy: 770.4629861590503
Energy: 780.9189162181857
Energy: 753.4395746159946
Energy: 745.2429384518597
Energy: 751.829425028909
Energy: 763.5107559855768
Energy: 746.3452697603134
Energy: 752.0095713117647
Energy: 745.2819763679178
Energy: 761.6975273071714
Energy: 775.5326465719805
Energy: 733.4835120271024
Energy: 762.7873243193643
Energy: 733.689555192052
Energy: 753.5531541436302
Energy: 730.9849669441875
Energy: 762.5371249140378
Energy: 750.2389875245866
Energy: 731.0002823511115
Energy: 763.3141635941114
Energy: 751.2769751585926
Energy: 733.5541486853912
Energy: 749.4009901166723
Energy: 751.4796429777606
Energy: 732.7375997667762
Energy: 748.8865926834243
Energy: 759.9477299954866
Energy: 760.1402768898827
Energy: 730.0000980614383
Energy: 730.9100460535018
Energy: 759.8803125185858
Energy: 728.6322970135753
Energy: 758.4696996356632
Energy: 748.3585663334202
Energy: 731.0444869210557
Energy: 760.7677129985626
Energy: 748.6652565324821
Energy: 731.5337319114963
Energy: 760.6481152574524
Energy: 729.7761834274193
Energy: 741.2722223627164
Energy: 741.9506753321001
Energy: 729.8130175881736
Energy: 731.5188589431473
Energy: 741.5127076222916
Energy: 730.2226774656536
Energy: 732.2512122125314
Energy: 731.5437338064183
Energy: 730.3589255007565
Energy: 763.7849836549881
Energy: 730.7979573740716
Energy: 749.375437063468
Energy: 742.0056470829834
Energy: 742.3981536058991
Energy: 749.7525489424597
Energy: 744.3241813531912
Energy: 751.3384381433776
Energy: 750.9439736774901
Energy: 743.0812391494618
Energy: 742.4639263254849
Energy: 750.6252530718325
Energy: 731.0543767512735
Energy: 757.5132146449446
Energy: 734.3890774591346
Energy: 749.1151452932307
Energy: 758.1926020458626
Energy: 733.7506277260935
Energy: 748.9212157385065
Energy: 763.0249588883875
Energy: 747.4644470888784
Energy: 755.6807026338942
Energy: 755.6843370880048
Energy: 770.9223699368616
Energy: 738.5504320412712
Energy: 748.4497054167434
Energy: 759.7348151442118
Energy: 779.8628779737097
Energy: 780.2162922227335
Energy: 759.8823027611039
Energy: 746.8310736210539
Energy: 781.7751980463498
Energy: 743.8453939056908
Energy: 761.063239577402
Energy: 759.2649627864521
Energy: 744.2793417332609
Energy: 762.5888944295948
Energy: 741.4772636005903

minimum gb energy = 728.6322970135753 eV
minimum distance =  0.918361119538226 Angstroms
sigma value = 41


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

Energy: 796.6371241056929
Energy: 840.0667973125828
Energy: 825.0634139348506
Energy: 797.5007932824251
Energy: 854.5671881288731
Energy: 823.4390587631405
Energy: 844.0594632801891
Energy: 860.4344052973452
Energy: 857.4915971427362
Energy: 845.9663687433618
Energy: 844.2846162615621
Energy: 856.0077813538107
Energy: 853.1568139446123
Energy: 817.0177013213173
Energy: 816.5812979032322
Energy: 835.7397329535222
Energy: 817.4405871686538
Energy: 816.3718276288479
Energy: 854.1157815166019
Energy: 818.1499652564296
Energy: 819.493759335417
Energy: 835.1464566964343
Energy: 817.3141539550808
Energy: 847.8267244346207
Energy: 827.7476815848681
Energy: 848.072907514452
Energy: 804.5123573104216
Energy: 827.9024545287868
Energy: 804.7389469937821
Energy: 828.9714695521357
Energy: 799.9961332339412
Energy: 840.5618758474802
Energy: 830.4098694144433
Energy: 799.7833825633211
Energy: 845.0694978359306
Energy: 829.0399136809109
Energy: 833.6838173963548
Energy: 805.8479484545093
Energy: 804.3516687191931
Energy: 831.846647294328
Energy: 821.1312055079362
Energy: 840.3717459636584
Energy: 801.349343116364
Energy: 835.4102607921777
Energy: 837.0140611848016
Energy: 801.4970064841442
Energy: 834.4827719166732
Energy: 802.8237320858133
Energy: 802.6459137370659
Energy: 837.3247187872329
Energy: 838.9965822602145
Energy: 802.4435487579069
Energy: 838.1853096022375
Energy: 817.2290538494603
Energy: 816.78872610358
Energy: 801.9504159181898
Energy: 817.6679376893294
Energy: 816.454876526587
Energy: 801.4810017750501
Energy: 818.3902755928937
Energy: 805.3219134456349
Energy: 837.5887206457726
Energy: 817.623177837004
Energy: 805.3257320567569
Energy: 822.7951984869173
Energy: 817.966868312657
Energy: 825.1767589766155
Energy: 820.0448187089478
Energy: 819.7164045139009
Energy: 814.4374542603363
Energy: 820.4154095607721
Energy: 819.6124661003661
Energy: 845.7065903669244
Energy: 820.3171987048967
Energy: 819.629670794438
Energy: 846.7681610670935
Energy: 818.6666633611524
Energy: 832.0888000855151
Energy: 797.3699235617873
Energy: 844.8982980339206
Energy: 826.3651693386229
Energy: 797.1570850946094
Energy: 854.2920223070303
Energy: 823.120600357946

minimum gb energy = 796.6371241056929 eV
minimum distance =  0.776276065585664 Angstroms
sigma value = 11


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

Energy: 625.6700463759945
Energy: 639.1138798902828
Energy: 633.5378749677119
Energy: 625.387278673638
Energy: 626.8173114874796
Energy: 622.7203119335483
Energy: 651.2908846814013
Energy: 662.7022477893321
Energy: 662.1438680890902
Energy: 652.192882281646
Energy: 663.942505407529
Energy: 659.6846579047549
Energy: 612.478391720984
Energy: 630.136698564668
Energy: 630.9763247875717
Energy: 612.3141267116607
Energy: 633.3080734446418
Energy: 641.490149142242
Energy: 613.2482311316236
Energy: 631.4279570360501
Energy: 643.73638576156
Energy: 613.0346263741783
Energy: 630.3040275903011
Energy: 644.8424938720498
Energy: 638.3890879026573
Energy: 610.5570461504599
Energy: 610.5267926296907
Energy: 638.4372847106606
Energy: 610.2680783943854
Energy: 611.2983517589231
Energy: 636.6406787338803
Energy: 611.0215868801761
Energy: 610.7316975435552
Energy: 636.518914763619
Energy: 611.049394838948
Energy: 611.2372564787852
Energy: 610.0117470656174
Energy: 630.4024121250371
Energy: 611.6176599711956
Energy: 610.0170784563672
Energy: 624.2529531320013
Energy: 610.648979860559
Energy: 609.7117422250069
Energy: 612.2622937727707
Energy: 610.8335086777314
Energy: 609.7971376882474
Energy: 612.7617936476497
Energy: 610.8303772956556
Energy: 627.0117535673154
Energy: 644.3892609716988
Energy: 638.389689214927
Energy: 626.9841131224244
Energy: 612.8460127190607
Energy: 637.7136976098652
Energy: 626.5751365022053
Energy: 645.7813215375828
Energy: 641.5705394976578
Energy: 626.5255834276637
Energy: 612.2701049672181
Energy: 638.1614207049904
Energy: 613.1173536107533
Energy: 640.957658646165
Energy: 656.118452009457
Energy: 613.4345423231214
Energy: 639.510279934648
Energy: 659.0493712538538
Energy: 651.5479395250466
Energy: 630.9305987211736
Energy: 627.1924217645561
Energy: 624.1518885259554
Energy: 620.6846362252296
Energy: 627.7269495259168
Energy: 614.0190942060748
Energy: 648.0631625924018
Energy: 656.9498544535388
Energy: 613.7973514682444
Energy: 652.1532995378451
Energy: 658.5314676530854
Energy: 629.475893542621
Energy: 634.5006202755154
Energy: 637.4876258379214
Energy: 629.1905902273563
Energy: 611.417748909608
Energy: 637.2514689147628
Energy: 639.6184673032462
Energy: 612.742248055494
Energy: 643.5227236528528
Energy: 640.297967925796
Energy: 613.3231901075544
Energy: 641.5361447783413
Energy: 608.5471193914138
Energy: 610.8281890795088
Energy: 610.580465885879
Energy: 608.5969841706599
Energy: 611.2144044777511
Energy: 609.6949555784317
Energy: 611.0399051120557
Energy: 612.2458794175807
Energy: 611.9957379632225
Energy: 611.6088358039016
Energy: 613.1714215039652
Energy: 611.6274751762079
Energy: 631.6286715103049
Energy: 618.3493551001927
Energy: 635.1055305121384
Energy: 631.391197701714
Energy: 610.8303878463039
Energy: 629.691410745553
Energy: 613.4916524462182
Energy: 647.1671571597859
Energy: 611.8003961823027
Energy: 613.074685747388
Energy: 644.6720162456929
Energy: 612.4257097788554
Energy: 613.561695968141
Energy: 629.3963648281456
Energy: 629.1158827013979
Energy: 618.4248081050767
Energy: 632.2171962481602
Energy: 640.0468836003914
Energy: 613.5149969403633
Energy: 630.9320255701778
Energy: 642.4035565735916
Energy: 613.5136828428923
Energy: 630.8209353245841
Energy: 650.5619981868741
Energy: 635.7512830634735
Energy: 640.8320781557901
Energy: 647.1247871860949
Energy: 636.0995707900312
Energy: 613.8684857587656
Energy: 644.4127564299738
Energy: 626.4835637294993
Energy: 646.5982691041336
Energy: 635.4491512009973
Energy: 626.2781165188832
Energy: 625.1996616500281
Energy: 635.1719521853114
Energy: 642.1785915504065
Energy: 612.2691666567499
Energy: 612.8498041391903
Energy: 643.538895685244
Energy: 613.6466713361667
Energy: 612.4770067510258
Energy: 609.8796736718323
Energy: 637.554136631646
Energy: 631.1387618742992
Energy: 610.6306092170645
Energy: 627.7327780666338
Energy: 634.2082397876118
Energy: 613.5645338222188
Energy: 641.0238181600008
Energy: 611.6322840854783
Energy: 613.2599348980666
Energy: 611.248095305733
Energy: 612.2755623265987
Energy: 637.4605587141825
Energy: 609.1746712944896
Energy: 609.8154963181677
Energy: 637.1642844067802
Energy: 608.8590231563039
Energy: 610.0411203689943
Energy: 613.4339951208862
Energy: 640.9666190620625
Energy: 612.435250935196
Energy: 613.6934920306644
Energy: 639.0401933463968
Energy: 612.6420586546175
Energy: 611.0329764685587
Energy: 634.3046205319878
Energy: 630.525928569055
Energy: 617.9033616517773
Energy: 624.3939566986825
Energy: 631.3479773327022
Energy: 649.5874221280109
Energy: 657.7940242390475
Energy: 657.444561521299
Energy: 651.2035694084587
Energy: 613.9081307108805
Energy: 657.9846218006757
Energy: 625.3612161207568
Energy: 649.846331299477
Energy: 633.5291874009976
Energy: 625.1005536475087
Energy: 629.0514256024169
Energy: 633.5606214869231

minimum gb energy = 608.5471193914138 eV
minimum distance =  0.653134633153274 Angstroms
sigma value = 57


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

Energy: 710.7372389609785
Energy: 707.2342409312326
Energy: 712.7411113426938
Energy: 710.8557305545077
Energy: 705.7374481734031
Energy: 712.0703164130325
Energy: 710.100852032462
Energy: 748.7667715406517
Energy: 753.283738704806
Energy: 710.2784461065916
Energy: 748.559696093452
Energy: 707.940667323242
Energy: 749.9863022655334
Energy: 682.6368027836468
Energy: 682.6690409486416
Energy: 725.9424303970331
Energy: 683.7928049533124
Energy: 722.9558530938692
Energy: 690.9481395500119
Energy: 723.4713574973509
Energy: 725.8695876834307
Energy: 756.1280544117765
Energy: 682.0544040571241
Energy: 735.894212201018
Energy: 732.0487327816628
Energy: 688.4276229934138
Energy: 688.3407039258074
Energy: 732.9020666491765
Energy: 688.3624598489553
Energy: 743.9202473634306
Energy: 730.4786657826521
Energy: 688.1117730143528
Energy: 737.2027726768436
Energy: 730.949662331887
Energy: 688.1988471513255
Energy: 738.8164562056012
Energy: 723.3848125633217
Energy: 685.0879755407408
Energy: 684.7478953203996
Energy: 708.0877093312507
Energy: 685.2977572981353
Energy: 707.1310468448105
Energy: 687.124901732548
Energy: 711.1527863420181
Energy: 713.3381453886909
Energy: 729.8565523356812
Energy: 709.9184445857143
Energy: 724.1546905230821
Energy: 711.3690641822526
Energy: 712.5406404262826
Energy: 684.7043871050047
Energy: 711.5847028882765
Energy: 711.3323605631019
Energy: 714.6357846430593
Energy: 711.4551246426396
Energy: 712.2085128572005
Energy: 684.781109561502
Energy: 711.6967011578128
Energy: 713.2840637420644
Energy: 715.0890725637988
Energy: 689.5707247278469
Energy: 727.8633049028564
Energy: 737.3251311094047
Energy: 751.7327899113732
Energy: 730.6418952107093
Energy: 737.4248432677261
Energy: 756.4972433832355
Energy: 683.108808545202
Energy: 682.557875072309
Energy: 726.6385872583393
Energy: 684.2682699514702
Energy: 727.1478427086578
Energy: 690.9918093786142
Energy: 738.8630596039961
Energy: 742.0863117405037
Energy: 690.7607873314074
Energy: 730.2092475226867
Energy: 746.624617594758
Energy: 731.1630484033967
Energy: 687.7005232195675
Energy: 687.7375526013767
Energy: 731.6912422569062
Energy: 687.8782045581426
Energy: 738.5043880945015
Energy: 690.3558916984397
Energy: 685.090274793472
Energy: 707.1683279782102
Energy: 744.3089913139684
Energy: 687.2473835141478
Energy: 709.5672378950604
Energy: 721.103890002593
Energy: 684.4637349108398
Energy: 683.9266109249764
Energy: 707.4507092285128
Energy: 685.1752462026299
Energy: 708.4191958382481
Energy: 684.0307804049569
Energy: 738.8083800315861
Energy: 714.5100771905081
Energy: 684.1400103709409
Energy: 739.2085795298578
Energy: 707.8850402821255

minimum gb energy = 682.0544040571241 eV
minimum distance =  0.87715274143283 Angstroms
sigma value = 9


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

Energy: 857.7642832299061
Energy: 862.8572864825271
Energy: 847.7312219369774
Energy: 857.6564536602503
Energy: 859.3952674640627
Energy: 849.7936776168142
Energy: 876.2811230879702
Energy: 886.0706882820782
Energy: 886.9608648242303
Energy: 877.1932818353811
Energy: 889.3058654246283
Energy: 885.6209323808334
Energy: 838.828000760961
Energy: 851.4838318111817
Energy: 865.7121878951946
Energy: 838.8595486348306
Energy: 852.5084432938094
Energy: 865.588737343891
Energy: 840.8331960581696
Energy: 873.199015841937
Energy: 873.8810648039753
Energy: 841.6270230683299
Energy: 872.1670230818781
Energy: 875.215920468469
Energy: 847.9788006947097
Energy: 837.4233502660074
Energy: 837.485814810095
Energy: 847.8134859098398
Energy: 837.3444465008215
Energy: 847.55323805643
Energy: 841.0995207356659
Energy: 838.4758342143949
Energy: 838.7142769093097
Energy: 840.8733263449124
Energy: 862.7483540832769
Energy: 840.0801170779409
Energy: 882.9861892840139
Energy: 848.8842954085293
Energy: 863.3739848810424
Energy: 848.2114531010136
Energy: 849.7328845854933
Energy: 862.944497254402
Energy: 840.6388180882822
Energy: 870.1396043713781
Energy: 864.3689735656146
Energy: 840.6656693467836
Energy: 866.7955647308438
Energy: 865.2883576503051
Energy: 859.1184592160371
Energy: 875.0644615036192
Energy: 872.8219931656964
Energy: 859.1867819227335
Energy: 859.8148428292255
Energy: 851.2309022656458
Energy: 852.2510207426868
Energy: 878.1102179045029
Energy: 872.1551710295948
Energy: 853.3201822570198
Energy: 841.6237843992106
Energy: 871.0470091977302
Energy: 837.9425833328609
Energy: 838.9234062754359
Energy: 839.115610850463
Energy: 837.908166650935
Energy: 867.6494915207933
Energy: 838.6961308380935
Energy: 837.9225439354364
Energy: 839.7056070179912
Energy: 838.5182482597392
Energy: 837.9787406525793
Energy: 840.734820463386
Energy: 838.3274896149671
Energy: 861.7943124695704
Energy: 849.0112050535301
Energy: 847.6024790481591
Energy: 861.960094059536
Energy: 840.2858787838684
Energy: 850.8799370810613
Energy: 855.4466217699292
Energy: 840.3649764443277
Energy: 840.1591938588169
Energy: 855.6847551437285
Energy: 839.9159977554798
Energy: 865.9256999352925
Energy: 841.5765287960487
Energy: 862.1208603621328
Energy: 862.6080196875423
Energy: 841.732466824807
Energy: 861.9438563615109
Energy: 880.3464703693843
Energy: 871.2809339912039
Energy: 846.7978731085902
Energy: 861.589168421114
Energy: 857.2782548407758
Energy: 847.4798263885501
Energy: 861.3490200589898
Energy: 871.8252417797702
Energy: 839.8167837431929
Energy: 882.9856297115001
Energy: 841.2519862181741
Energy: 876.5437873130819
Energy: 840.456700686977
Energy: 868.3074631031332
Energy: 838.4204407390396
Energy: 838.1776639070773
Energy: 856.1511294464736
Energy: 838.1543059500084
Energy: 853.1054298440621
Energy: 840.4480049228632
Energy: 849.8689465745751
Energy: 848.3364363785396
Energy: 840.2522519173282
Energy: 839.3630151568727
Energy: 840.3809330499824
Energy: 839.1806547188294
Energy: 864.5390128063362
Energy: 864.8352283705511
Energy: 838.1870613496349
Energy: 864.6737904135473
Energy: 849.0400887928004
Energy: 849.5421311936177
Energy: 884.7058623766275
Energy: 880.4437403357836
Energy: 849.5282818289185
Energy: 842.3773803192809
Energy: 878.5510839517283

minimum gb energy = 837.3444465008215 eV
minimum distance =  0.657696014993005 Angstroms
sigma value = 27


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

Energy: 744.3259773073704
Energy: 747.8699319613189
Energy: 742.2492781619648
Energy: 743.8773188653817
Energy: 749.0668654774033
Energy: 740.5979399654975
Energy: 752.1228240939505
Energy: 774.4584910473661
Energy: 753.5993027386538
Energy: 751.714179376547
Energy: 775.2862108763819
Energy: 752.8598623748868
Energy: 744.7189187385643
Energy: 769.2251004181281
Energy: 769.2360809857403
Energy: 785.8063455564343
Energy: 736.9005528542218
Energy: 769.8116494713883
Energy: 753.9519876427219
Energy: 772.9751324076104
Energy: 773.0488909747371
Energy: 745.9055351372755
Energy: 773.3186272616152
Energy: 773.43521750029
Energy: 741.2178740721412
Energy: 751.8226999376897
Energy: 751.0241001740729
Energy: 741.2348487871923
Energy: 744.0099536129262
Energy: 750.5194197203951
Energy: 744.9614681497981
Energy: 745.8993657758144
Energy: 745.5318041199516
Energy: 744.9742834059324
Energy: 746.1261587888284
Energy: 744.7447093802672
Energy: 742.7644105036237
Energy: 743.9185079529882
Energy: 742.8287163327259
Energy: 743.4876697717933
Energy: 745.0549554275867
Energy: 742.0920024163091
Energy: 743.6615906440662
Energy: 744.6647848815089
Energy: 745.5575828845795
Energy: 743.6628338699891
Energy: 744.1581290001369
Energy: 745.3056678403617
Energy: 770.0486472073285
Energy: 771.827625751391
Energy: 769.5631124886858
Energy: 769.9376693890011
Energy: 777.8882695115295
Energy: 769.131572281354
Energy: 771.0830217114261
Energy: 776.2000368770902
Energy: 774.0624051112814
Energy: 771.7574188425796
Energy: 781.4299920582066
Energy: 773.4204924343248
Energy: 744.2712456840362
Energy: 751.2729903431033
Energy: 751.7386266442973
Energy: 744.1699077449819
Energy: 744.1030365083269
Energy: 752.7950776778066
Energy: 744.9553810573667
Energy: 744.0419932589986
Energy: 744.1542187134291
Energy: 744.3112692426387
Energy: 744.207741984404
Energy: 744.9403802857445
Energy: 745.7857771967911
Energy: 744.0594755185215
Energy: 742.9556880714351
Energy: 745.4791683486746
Energy: 744.7903832201115
Energy: 743.2827871047783
Energy: 744.0421064359838
Energy: 744.3685415326973
Energy: 744.5644093820717
Energy: 744.0409674812086
Energy: 744.0245885031611
Energy: 744.137596344524
Energy: 745.8621022263957
Energy: 769.5920404448976
Energy: 769.3297722974796
Energy: 746.031688683555
Energy: 769.8562612204306
Energy: 769.2997102841899
Energy: 744.6886371273993
Energy: 772.3651588869454
Energy: 773.4571445341492
Energy: 745.467004508306
Energy: 770.8951376350523
Energy: 773.8017088519824
Energy: 744.4332963689512
Energy: 744.643139858032
Energy: 751.1699546337536
Energy: 744.6145438843981
Energy: 744.7562841523984
Energy: 750.3300401998762
Energy: 748.4691269624174
Energy: 744.2164638943156
Energy: 743.7874493517154
Energy: 748.2995320754746
Energy: 744.3609945548253
Energy: 744.0172693618092
Energy: 744.7377703243229
Energy: 744.5470267022936
Energy: 744.1835467617203
Energy: 744.9495087894119
Energy: 745.0221231546886
Energy: 743.949171451942
Energy: 743.9208164766212
Energy: 743.4445069400349
Energy: 743.0837696350493
Energy: 742.4655653137056
Energy: 743.8124011421885
Energy: 744.8067859684575
Energy: 769.92466955501
Energy: 770.8146419102791
Energy: 769.5613174705736
Energy: 769.8421580162894
Energy: 746.4228720065569
Energy: 769.3570354503642
Energy: 736.331513332624
Energy: 777.3683981442672
Energy: 774.4027343945808
Energy: 736.5601857180343
Energy: 784.8494279471677
Energy: 772.4285507403469
Energy: 776.8072778794558
Energy: 750.0135682384181
Energy: 751.2086301521201
Energy: 774.8182017798603
Energy: 753.3326424542304
Energy: 753.6011293954747
Energy: 744.1715073235476
Energy: 748.424918416697
Energy: 749.3527240469441
Energy: 755.3753590845846
Energy: 748.8320633061886
Energy: 750.8028586934837
Energy: 743.7715789175907
Energy: 752.6678785763519
Energy: 752.0977449806506
Energy: 743.7046186293016
Energy: 752.884722227833
Energy: 743.7282780422735

minimum gb energy = 736.331513332624 eV
minimum distance =  1.41968507491637 Angstroms
sigma value = 19


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

Energy: 593.2308220105092
Energy: 609.3890921565162
Energy: 596.2568573737959
Energy: 593.037573827085
Energy: 597.4915995184504
Energy: 602.4098015003135
Energy: 616.7825216549346
Energy: 625.8819288654087
Energy: 625.8956254968107
Energy: 617.3361270616413
Energy: 582.7471778848126
Energy: 624.4980121654264
Energy: 579.2679445751908
Energy: 601.6979222452579
Energy: 603.4450111591577
Energy: 578.6177788023874
Energy: 600.0748764917957
Energy: 602.1638526966867
Energy: 581.881108831601
Energy: 581.5645652674611
Energy: 581.6745713133586
Energy: 581.863924482493
Energy: 582.163633656277
Energy: 615.8040887236405
Energy: 598.4232837247732
Energy: 578.6023342428331
Energy: 579.0393628070751
Energy: 598.2176983371246
Energy: 579.4247022329486
Energy: 602.611004746911
Energy: 582.1845788510595
Energy: 621.3378055175328
Energy: 623.5782941419944
Energy: 582.0701129302142
Energy: 617.6031370231781
Energy: 624.6985899164457
Energy: 622.8540501437996
Energy: 596.7930655056185
Energy: 596.2964748714037
Energy: 592.3085279212901
Energy: 594.97882274972
Energy: 594.6901003895147
Energy: 583.1092104305402
Energy: 606.6903301820115
Energy: 619.4892069102872
Energy: 582.9204960648941
Energy: 606.3213869364291
Energy: 616.328072243021
Energy: 604.4077187922163
Energy: 579.0580602176321
Energy: 578.4993072854542
Energy: 604.4052135874872
Energy: 578.8921155490409
Energy: 578.448725178231
Energy: 581.9856457947586
Energy: 581.2402136132756
Energy: 580.6842987425479
Energy: 581.9114998176083
Energy: 580.8562195169974
Energy: 614.7189009837932
Energy: 579.293417206103
Energy: 599.5002663432565
Energy: 600.6449246486668
Energy: 579.3964492065846
Energy: 598.5048255162155
Energy: 599.533197294493
Energy: 581.1456546628742
Energy: 581.498712362778
Energy: 623.4726988621635
Energy: 581.3108012532256
Energy: 600.1962182313663
Energy: 622.5704049893792
Energy: 593.6626337550639
Energy: 603.6396584271471
Energy: 599.740915049819
Energy: 593.5381919460509
Energy: 594.0940215600361
Energy: 603.893145993836
Energy: 604.9971340757568
Energy: 610.2135957270976
Energy: 616.6551077602394
Energy: 605.124704097014
Energy: 583.01641531777
Energy: 614.9415841024394
Energy: 579.0956834676408
Energy: 579.1217472111356
Energy: 578.8550419222315
Energy: 578.8247593183969
Energy: 579.7917077176946
Energy: 578.4890100220495
Energy: 607.0314773186388
Energy: 580.9571769000116
Energy: 580.5877302117783
Energy: 608.324771718988
Energy: 580.0295056760291
Energy: 580.5866448676749
Energy: 595.2773564135379
Energy: 599.2621545677272
Energy: 602.0540749320876
Energy: 595.1725687989527
Energy: 586.7193876768652
Energy: 605.9015169213167
Energy: 607.5261752443405
Energy: 622.0204910572094
Energy: 619.986824649437
Energy: 602.1416085599592
Energy: 581.5370251091031
Energy: 601.638691186012
Energy: 580.2286147878837
Energy: 600.0505462584612
Energy: 599.9059974200758
Energy: 580.2645764545221
Energy: 600.3885398153232
Energy: 612.0035164642475
Energy: 581.3019960777447
Energy: 601.4669779602725
Energy: 601.7711077444168
Energy: 581.9176942905733
Energy: 601.4617995982957
Energy: 614.2690149719151
Energy: 580.4471346785251
Energy: 579.7717313052132
Energy: 579.421677041863
Energy: 580.2142881546498
Energy: 579.653593140357
Energy: 579.274108210647
Energy: 580.0418389315034
Energy: 579.8824281337259
Energy: 580.390089322336
Energy: 579.9310019654131
Energy: 608.9318073225147
Energy: 580.0209959782617
Energy: 581.9382590458382
Energy: 598.68407288458
Energy: 597.540323703429
Energy: 588.5120821326245
Energy: 599.0235086437539
Energy: 608.2921110065587
Energy: 581.6805580698768
Energy: 598.2928993797348
Energy: 609.4737099185154
Energy: 581.6393908154606
Energy: 598.4626166993314
Energy: 610.3566418791139
Energy: 609.6204726747956
Energy: 580.2687529180706
Energy: 580.5471833263417
Energy: 610.178381262545
Energy: 580.7236470876843
Energy: 606.4196712595476
Energy: 597.6336157446706
Energy: 580.4872347890423
Energy: 580.4045813178108
Energy: 597.7732838697291
Energy: 580.1449229282248
Energy: 603.8482708006732
Energy: 579.5298770488133
Energy: 579.4951143426664
Energy: 580.0885498504712
Energy: 580.2610868705067
Energy: 587.3686906624406
Energy: 580.1254043486267
Energy: 579.8465123663142
Energy: 580.0152856036269
Energy: 579.2908750692579
Energy: 579.8198455447871
Energy: 580.5819673535706
Energy: 579.3114901080709
Energy: 592.2954275551039
Energy: 622.5283980366063
Energy: 619.0010033633041
Energy: 592.2298373234826
Energy: 601.54975992668
Energy: 598.6432590598561

minimum gb energy = 578.448725178231 eV
minimum distance =  0.788441707141005 Angstroms
sigma value = 101


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

Energy: 669.5056347712954
Energy: 688.2822805863027
Energy: 688.8591479827986
Energy: 669.3096247558312
Energy: 690.0280425900588
Energy: 667.7298359304423
Energy: 700.2903753445826
Energy: 661.6192066474858
Energy: 709.287172477309
Energy: 691.3616269414133
Energy: 661.728450776948
Energy: 694.0902094860332
Energy: 658.36614825559
Energy: 675.2018263254812
Energy: 679.1844215133106
Energy: 658.3643921413751
Energy: 676.2033841283055
Energy: 677.7796736345787
Energy: 672.4399849030272
Energy: 694.8253933118816
Energy: 693.6760000642298
Energy: 671.4417278683268
Energy: 694.8440110205894
Energy: 692.3943162784878
Energy: 673.8914073519893
Energy: 670.4619303411565
Energy: 668.0010463215999
Energy: 673.6767986093216
Energy: 669.2854395333926
Energy: 672.4814428331289
Energy: 660.2633988966
Energy: 702.8474391101729
Energy: 704.9851137760165
Energy: 661.1252263235001
Energy: 702.0810847522357
Energy: 694.1488588019054
Energy: 693.3658898874784
Energy: 670.7279195006845
Energy: 672.9301410726841
Energy: 676.8544717330192
Energy: 671.7134542555829
Energy: 673.6362913248004
Energy: 661.8496341152469
Energy: 698.3941878114962
Energy: 700.4460918227032
Energy: 661.9264802289468
Energy: 677.9766274275993
Energy: 703.3961158058862
Energy: 684.1319825931193
Energy: 657.7874909403698
Energy: 657.6509070317795
Energy: 684.122869704404
Energy: 658.1595651951288
Energy: 685.589118683571
Energy: 660.3206699778078
Energy: 672.7549927038772
Energy: 674.3072674446316
Energy: 660.1156789438469
Energy: 691.7928104931713
Energy: 660.1352525512928
Energy: 675.0448998164505
Energy: 672.6617862406954
Energy: 675.0311339737613
Energy: 668.6498923267604
Energy: 673.5264351940756
Energy: 675.9682220677147
Energy: 660.3060863046875
Energy: 690.7031861027873
Energy: 702.9838513631569
Energy: 660.1031146226194
Energy: 693.8666905395877
Energy: 703.4594747245218
Energy: 671.6594665339411
Energy: 679.8461454644645
Energy: 693.0744848806584
Energy: 671.5334265728925
Energy: 678.308811371525
Energy: 691.451020474788
Energy: 674.2579242295375
Energy: 695.3077745317702
Energy: 661.3980300405761
Energy: 656.0334215257071
Energy: 661.3466013931256
Energy: 699.3771342773928
Energy: 658.1059464665324
Energy: 669.1000055376736
Energy: 667.6790830789864
Energy: 658.0811080711501
Energy: 669.6539658630804
Energy: 657.4639694451186
Energy: 694.4800652529676
Energy: 660.7797844438707
Energy: 702.9680887647429
Energy: 694.5040405619102
Energy: 660.9668020788498
Energy: 700.7684269373971
Energy: 669.3275996175234
Energy: 688.5295856690996
Energy: 689.049417647655
Energy: 669.1678985228087
Energy: 689.4251133968323
Energy: 667.8713582631293
Energy: 688.5314887756538
Energy: 676.5263422363605
Energy: 692.9780032288271
Energy: 688.6994281393203
Energy: 662.4694884089198
Energy: 679.9787136009885
Energy: 658.4113406662965
Energy: 677.8969470846008
Energy: 677.0133316728852
Energy: 658.4826909015661
Energy: 677.7603013110395
Energy: 681.5687189583954
Energy: 660.0477882317955
Energy: 678.7383563720219
Energy: 694.1121589981689
Energy: 659.7397729673311
Energy: 677.815847440964
Energy: 693.4238781344596
Energy: 674.2150084502385
Energy: 670.6242653462178
Energy: 668.3918436050146
Energy: 674.2241301701068
Energy: 668.8402672724397
Energy: 675.5187760816215
Energy: 671.9142931177512
Energy: 660.1598184262768
Energy: 659.2053954855096
Energy: 671.888014967415
Energy: 697.8475751127061
Energy: 659.2445918884057
Energy: 697.3381712763776
Energy: 674.168129997813
Energy: 672.9549655726892
Energy: 678.4885243436742
Energy: 671.335779762542
Energy: 676.8724234205414
Energy: 662.8138037749874
Energy: 676.1210601500918
Energy: 677.1723176900299
Energy: 685.5343281403744
Energy: 674.1259880757791
Energy: 699.4787355985392
Energy: 686.8261030377105
Energy: 658.5621129903169
Energy: 657.8756132168826
Energy: 687.5505577864637
Energy: 658.2510903791567
Energy: 657.8253955492826
Energy: 690.5868027187848
Energy: 658.619719881841
Energy: 658.875484580245
Energy: 692.0570749579001
Energy: 658.7931262899475
Energy: 658.9546423796405
Energy: 660.6441725367466
Energy: 673.1198655169378
Energy: 675.586827924841
Energy: 669.0246172439352
Energy: 673.6401463344289
Energy: 678.9142607565688
Energy: 659.5381594786512
Energy: 677.0694277713602
Energy: 680.6153817439592
Energy: 660.1904490992496
Energy: 676.8661524609545
Energy: 693.304821908697
Energy: 672.5148760838654
Energy: 659.5257239480352
Energy: 681.0574400537832
Energy: 672.7522597349139
Energy: 659.3249049291521
Energy: 680.6630135564457
Energy: 672.5900301321598
Energy: 679.7045665884617
Energy: 679.0464045555123
Energy: 672.8115837332348
Energy: 660.7863228497405
Energy: 696.8325070846188
Energy: 659.2761361571129
Energy: 670.0944684800024
Energy: 670.2506411691992
Energy: 659.3630277328525
Energy: 671.5904384206799
Energy: 657.9757342228568
Energy: 658.9346803927451
Energy: 673.3186982369152
Energy: 658.504349261005
Energy: 658.8202743896021
Energy: 674.5042228033343
Energy: 659.1342489050825
Energy: 669.0017003009431
Energy: 688.9489149398606
Energy: 678.4528284383443
Energy: 668.9194590986434
Energy: 672.194648368077
Energy: 688.8836659652076

minimum gb energy = 656.0334215257071 eV
minimum distance =  0.692993367499791 Angstroms
sigma value = 33


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

Energy: 637.9847312888703
Energy: 697.0090407116023
Energy: 637.9852151605052
Energy: 637.9855090811054
Energy: 698.9125841478858
Energy: 637.9861784337188
Energy: 688.2996649856013
Energy: 707.830755582573
Energy: 698.2412467184913
Energy: 691.7123205731023
Energy: 651.3771095712633
Energy: 691.2242305081487
Energy: 651.4524180412501
Energy: 749.2959615222966
Energy: 749.4988486377204
Energy: 651.4514855435531
Energy: 749.828700573806
Energy: 751.0653255395796
Energy: 688.2996649856013
Energy: 707.8307555825705
Energy: 698.2412467184904
Energy: 691.712320573103
Energy: 651.3771095712624
Energy: 691.2242305081487

minimum gb energy = 637.9847312888703 eV
minimum distance =  0.837956414578306 Angstroms
sigma value = 1