Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
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=90.0
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: 563.9041622347851
Energy: 626.6119047697059
Energy: 574.5232630996657
Energy: 626.611904769707
Energy: 626.6119047697059
Energy: 671.0461437612689
Energy: 626.6119047697059
Energy: 671.0461437612689
Energy: 574.5232630996669
Energy: 626.611904769707
Energy: 563.9041622347838
Energy: 562.9286419651954
Energy: 626.6119047697059
Energy: 671.0461437612689
Energy: 562.9286419651954
Energy: 671.0461437612689

minimum gb energy = 562.9286419651954 eV
minimum distance =  0.908975916211331 Angstroms
sigma value = 1


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

Energy: 922.120510633435
Energy: 950.5352271377565
Energy: 921.3711894677077
Energy: 950.5352271377549
Energy: 950.7771572907101
Energy: 975.972078331579
Energy: 952.7953105300667
Energy: 975.972078331579
Energy: 921.3215524966067
Energy: 953.2304340666852
Energy: 925.6007419679154
Energy: 953.2304340666852
Energy: 943.4510605752101
Energy: 971.1734715875136
Energy: 954.7755891700441
Energy: 971.1734715875136
Energy: 923.2596621093155
Energy: 943.7084210803671
Energy: 917.6195088104987
Energy: 943.7084210803671
Energy: 945.381007360547
Energy: 920.7862987346299
Energy: 947.4971747387873
Energy: 920.7862987346268
Energy: 924.8258855445252
Energy: 949.5117275352401
Energy: 925.2214042740061
Energy: 949.5117275352401
Energy: 939.288052759903
Energy: 919.8054226316445
Energy: 917.6789658913325
Energy: 919.8054226316461
Energy: 926.5702342115039
Energy: 916.8274505728958
Energy: 935.99099826738
Energy: 916.8274505728942
Energy: 917.34207218439
Energy: 919.1033726070937
Energy: 947.5398910519967
Energy: 919.1033726070953
Energy: 926.5630760108605
Energy: 916.6232215578981
Energy: 929.0572445611391
Energy: 916.6232215578981
Energy: 925.5672697845674
Energy: 919.3021685681807
Energy: 917.271027754796
Energy: 919.3021685681821
Energy: 933.8349716150021
Energy: 917.0538436614441
Energy: 938.8394769009363
Energy: 917.0538436614472
Energy: 942.132283251634
Energy: 920.8075720547378
Energy: 928.3328211222885
Energy: 920.8075720547378
Energy: 923.953442321559
Energy: 949.5032641654911
Energy: 917.0773053069879
Energy: 949.5032641654925
Energy: 941.9024409844434
Energy: 963.1918142026582
Energy: 953.3656961233105
Energy: 963.19181420266
Energy: 920.3963973271963
Energy: 950.6855396843631
Energy: 936.465960852603
Energy: 950.6855396843631
Energy: 952.5535940655722
Energy: 974.5541482695725
Energy: 948.684152718481
Energy: 974.5541482695741
Energy: 925.5335726557001
Energy: 953.7688203564196
Energy: 921.264462237348
Energy: 953.7688203564196
Energy: 940.9350937934861
Energy: 957.9555332418315
Energy: 945.3471295178778
Energy: 957.9555332418315
Energy: 918.2650523902925
Energy: 944.276018637277
Energy: 923.1922832099789
Energy: 944.2760186372741
Energy: 946.8333942085862
Energy: 920.7359894422328
Energy: 946.4513452742267
Energy: 920.7359894422315
Energy: 925.1843791604547
Energy: 949.7611167921059
Energy: 925.2307207227058
Energy: 949.7611167921059
Energy: 951.993202978046
Energy: 919.644250280033
Energy: 916.3168475752533
Energy: 919.6442502800345
Energy: 937.234861615042
Energy: 916.8693514387359
Energy: 926.849211821637
Energy: 916.8693514387328
Energy: 916.0246054930104
Energy: 918.8527010943383
Energy: 942.4208498156705
Energy: 918.8527010943383
Energy: 928.9979196795672
Energy: 916.7850777664693
Energy: 926.812946246484
Energy: 916.7850777664722
Energy: 917.3005607345206
Energy: 919.6029063880728
Energy: 916.7625177889346
Energy: 919.6029063880804
Energy: 938.981918314554
Energy: 917.294314170423
Energy: 934.2194850500573
Energy: 917.2943141704201
Energy: 940.1567885778727
Energy: 929.9991210426215
Energy: 917.7064253572765
Energy: 929.9991210426228
Energy: 918.2939035949082
Energy: 950.3262626403754
Energy: 923.8455509772939
Energy: 950.3262626403754
Energy: 952.1670820054322
Energy: 929.4340606986588
Energy: 943.0795368209738
Energy: 929.4340606986527
Energy: 936.2735025319222
Energy: 951.6212338139949
Energy: 920.9990122250417
Energy: 951.6212338139949

minimum gb energy = 916.0246054930104 eV
minimum distance =  0.683887793878096 Angstroms
sigma value = 1


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

Energy: 814.8524374731023
Energy: 840.8229956112314
Energy: 809.8491948234299
Energy: 840.8229956112298
Energy: 840.9426005146125
Energy: 864.7476093250904
Energy: 843.7249307398363
Energy: 864.7476093250922
Energy: 809.6109937511243
Energy: 844.6127623055802
Energy: 813.3484149988217
Energy: 844.6127623055802
Energy: 838.4064826957522
Energy: 857.2954530601335
Energy: 837.5227011757739
Energy: 857.2954530601354
Energy: 816.0516642643355
Energy: 840.8240189240514
Energy: 805.201758832379
Energy: 840.8240189240514
Energy: 842.4600756703063
Energy: 809.2878021770146
Energy: 837.4675336264185
Energy: 809.2878021770181
Energy: 814.2099442227513
Energy: 831.6373991827132
Energy: 816.3971149017812
Energy: 831.6373991827064
Energy: 830.5165876314052
Energy: 808.4471110380267
Energy: 832.580341421187
Energy: 808.4471110380385
Energy: 819.6715494559622
Energy: 804.8160974791019
Energy: 818.3476550039405
Energy: 804.8160974791072
Energy: 805.2939808316285
Energy: 808.1320246458661
Energy: 804.4146180309482
Energy: 808.1320246458696
Energy: 817.2467579161121
Energy: 814.7532286751714
Energy: 823.6825211969444
Energy: 814.7532286751733
Energy: 802.8445513155456
Energy: 808.7391268989678
Energy: 806.1930421542093
Energy: 808.7391268989678
Energy: 805.0253999433494
Energy: 831.6535430515249
Energy: 814.5231151375765
Energy: 831.6535430515249
Energy: 841.9725215954005
Energy: 856.8345475801246
Energy: 830.084106755614
Energy: 856.8345475801246
Energy: 814.7407772862297
Energy: 841.1013202006027
Energy: 808.8358013236361
Energy: 841.1013202006027
Energy: 834.6712099968896
Energy: 849.9151781719969
Energy: 837.9614907996638
Energy: 849.9151781719899
Energy: 809.5899208655283
Energy: 837.1181831172349
Energy: 813.3026205394928
Energy: 837.1181831172365
Energy: 838.5197574662249
Energy: 858.096505415307
Energy: 829.5039510937914
Energy: 858.0965054153085
Energy: 815.9833639063743
Energy: 839.7270465227856
Energy: 806.125084334606
Energy: 839.7270465227856
Energy: 839.2956610205412
Energy: 809.6837095821384
Energy: 828.382783777896
Energy: 809.6837095821348
Energy: 814.7126484657533
Energy: 840.8500532580888
Energy: 816.5588787476378
Energy: 840.8500532580888
Energy: 804.4319525851412
Energy: 808.369188409357
Energy: 824.3018917940489
Energy: 808.3691884093605
Energy: 819.6207406852558
Energy: 805.1713491759683
Energy: 819.3995216487344
Energy: 805.1713491759668
Energy: 804.9746101002916
Energy: 808.0865693294766
Energy: 813.3528736602573
Energy: 808.0865693294661
Energy: 817.3004464999681
Energy: 805.5720895743162
Energy: 822.7156542274187
Energy: 805.5720895743196
Energy: 820.2411421182248
Energy: 808.1283554377779
Energy: 805.5860967621039
Energy: 808.1283554377779
Energy: 804.7272087540537
Energy: 832.2347064931616
Energy: 814.4044186903913
Energy: 832.2347064931668
Energy: 843.0103301063976
Energy: 818.1965808957281
Energy: 829.9513136675167
Energy: 818.1965808957297
Energy: 814.3694481317642
Energy: 842.6978651938846
Energy: 809.2121920642496
Energy: 842.6978651938846

minimum gb energy = 802.8445513155456 eV
minimum distance =  0.668208636255766 Angstroms
sigma value = 25


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

Energy: 706.0873323898958
Energy: 731.6652679964542
Energy: 698.566895990186
Energy: 731.6652679964561
Energy: 731.8794444222096
Energy: 753.5331772115562
Energy: 730.836410576794
Energy: 753.5331772115562
Energy: 697.9287770212413
Energy: 731.8419518099179
Energy: 686.2598246169804
Energy: 731.8419518099179
Energy: 730.3576269371442
Energy: 740.7284960976884
Energy: 733.4514563408109
Energy: 740.7284960976865
Energy: 707.6536397291682
Energy: 731.5323219292486
Energy: 706.5000880152685
Energy: 731.5323219292486
Energy: 734.2533732225395
Energy: 697.531270622788
Energy: 724.5432574148264
Energy: 697.5312706227841
Energy: 701.8996872120283
Energy: 726.3586898953637
Energy: 688.1151366948499
Energy: 726.3586898953637
Energy: 693.0491310236239
Energy: 696.5193451967845
Energy: 694.8319497987341
Energy: 696.5193451967825
Energy: 714.3687893802354
Energy: 694.0603703784329
Energy: 709.2547183013811
Energy: 694.0603703784309
Energy: 694.2071845673293
Energy: 697.113598145824
Energy: 702.5935246833646
Energy: 697.113598145826
Energy: 720.0559294126787
Energy: 723.4039014043287
Energy: 694.1634165104701
Energy: 723.4039014043307
Energy: 710.5421430235335
Energy: 745.2714642265726
Energy: 724.6249707922427
Energy: 745.2714642265726
Energy: 697.619387413992
Energy: 732.2325992792603
Energy: 705.9214419341454
Energy: 732.2325992792603
Energy: 729.2198445023073
Energy: 744.3909643600576
Energy: 722.5054497422561
Energy: 744.3909643600576
Energy: 686.2309016220925
Energy: 732.4370614795216
Energy: 698.046811063322
Energy: 732.4370614795216
Energy: 708.6299456069312
Energy: 747.2264499844166
Energy: 715.8566443512667
Energy: 747.2264499844166
Energy: 693.9797218308247
Energy: 732.7384305956175
Energy: 707.698108023061
Energy: 732.7384305956175
Energy: 722.0807508579849
Energy: 697.1591461472574
Energy: 733.2066687007991
Energy: 697.1591461472574
Energy: 688.0789067693738
Energy: 727.6872826890975
Energy: 702.4566366851992
Energy: 727.6872826890975
Energy: 723.207540613674
Energy: 695.9893544569369
Energy: 703.682103769729
Energy: 695.989354456931
Energy: 709.9670146813526
Energy: 694.3713868227235
Energy: 713.3327758248661
Energy: 694.3713868227195
Energy: 713.3599370543045
Energy: 696.897672505937
Energy: 694.7808100193032
Energy: 696.8976725059329
Energy: 694.0707338065268
Energy: 726.8743563221196
Energy: 709.5624094824178
Energy: 726.8743563221176
Energy: 727.9936484863881
Energy: 709.3729140835179
Energy: 707.6844770607091
Energy: 709.3729140835179
Energy: 705.4657255034281
Energy: 734.8878137203394
Energy: 697.7171759227725
Energy: 734.8878137203413

minimum gb energy = 686.2309016220925 eV
minimum distance =  0.677048007425714 Angstroms
sigma value = 9


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

Energy: 592.308785129227
Energy: 616.523437450524
Energy: 587.6608890041039
Energy: 616.5234374505193
Energy: 617.2362945122077
Energy: 644.1336457215673
Energy: 620.95558751253
Energy: 644.1336457215721
Energy: 586.6358792181602
Energy: 623.461595531856
Energy: 600.1275625553661
Energy: 623.4615955318536
Energy: 603.2144157541119
Energy: 638.3454445154675
Energy: 628.2980353741063
Energy: 638.3454445154675
Energy: 594.6841754666875
Energy: 618.4647913968973
Energy: 592.9950210186452
Energy: 618.4647913968997
Energy: 621.8123580566402
Energy: 587.0667986232686
Energy: 612.35575290296
Energy: 587.0667986232709
Energy: 579.1843356445315
Energy: 620.365734041735
Energy: 604.884799507314
Energy: 620.365734041735
Energy: 594.4175402878532
Energy: 586.6749703392816
Energy: 583.3961696148942
Energy: 586.6749703142511
Energy: 582.7271386877246
Energy: 595.2153728783384
Energy: 602.6068219869524
Energy: 595.2153728783312
Energy: 622.4015573619348
Energy: 602.2400570938779
Energy: 601.8969575739127
Energy: 602.2400570938755
Energy: 592.291633727835
Energy: 616.9061247516383
Energy: 586.7588299369288
Energy: 616.9061247516336
Energy: 600.0719688088557
Energy: 639.5472006917947
Energy: 622.2599475475281
Energy: 639.5472006917947
Energy: 584.1806449721141
Energy: 624.1716902849606
Energy: 600.5994368160283
Energy: 624.1716902849606
Energy: 616.7996453869329
Energy: 587.4280036439978
Energy: 601.7587124860923
Energy: 587.4280036439955
Energy: 595.2077023301424
Energy: 610.1846028057403
Energy: 595.0841377952962
Energy: 610.1846028057427
Energy: 605.0232869594404
Energy: 586.8064846273184
Energy: 612.892117285716
Energy: 586.8064846273207
Energy: 579.0904176267162
Energy: 619.7535431817528
Energy: 602.9067488123594
Energy: 619.7535431817528
Energy: 578.9965967941666
Energy: 585.8480231036649
Energy: 622.237461936325
Energy: 585.8480231036649
Energy: 610.7907649948913
Energy: 596.7050887692545
Energy: 602.7495059882415
Energy: 596.7050887692545
Energy: 584.3324356243377
Energy: 596.9903596583355
Energy: 601.8679129693776
Energy: 596.9903596583307
Energy: 575.2606557122534
Energy: 619.0700494051728
Energy: 586.075805143512
Energy: 619.0700494051775

minimum gb energy = 575.2606557122534 eV
minimum distance =  0.713402253199042 Angstroms
sigma value = 25


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

Energy: 695.6998343710976
Energy: 741.1079310743942
Energy: 711.0851388709705
Energy: 741.1079310743942
Energy: 741.8216196602012
Energy: 767.5912669151028
Energy: 730.860809938783
Energy: 767.5912669151028
Energy: 728.442544488562
Energy: 729.3675258244818
Energy: 720.4288195756194
Energy: 729.3675258244847
Energy: 739.7434982085639
Energy: 765.9467146003743
Energy: 730.5283269479621
Energy: 765.9467146003743
Energy: 698.9345000322397
Energy: 740.8839385312991
Energy: 719.8018089128332
Energy: 740.8839385312991
Energy: 748.0926333262133
Energy: 709.4286453687214
Energy: 722.0741208625135
Energy: 709.4286453687214
Energy: 723.7550696487153
Energy: 720.0127308060245
Energy: 734.7376116015265
Energy: 720.0127308060245
Energy: 702.31424192289
Energy: 723.4765919616482
Energy: 725.0016402020099
Energy: 723.4765919616511
Energy: 709.0269708825228
Energy: 742.6152997679341
Energy: 727.3389806777245
Energy: 742.6152997679341
Energy: 735.2602362879192
Energy: 764.0193803976952
Energy: 727.9210765657989
Energy: 764.0193803976952
Energy: 720.7162662118792
Energy: 731.3407348082801
Energy: 709.0685682441849
Energy: 731.3407348082801
Energy: 700.6072417694382
Energy: 710.5410895497886
Energy: 739.3078548012394
Energy: 710.5410895497886
Energy: 719.510416011308
Energy: 743.4155440238967
Energy: 698.7838742747365
Energy: 743.4155440238967
Energy: 718.0841504185589
Energy: 708.6446479202418
Energy: 743.8363862221917
Energy: 708.6446479202448
Energy: 738.6742753590455
Energy: 722.7616654983556
Energy: 726.8193230604969
Energy: 722.7616654983526
Energy: 707.8800856559068
Energy: 725.1868894099014
Energy: 724.9641952681715
Energy: 725.1868894099014
Energy: 729.3102836673472
Energy: 749.358484746032
Energy: 707.8614596797049
Energy: 749.358484746032

minimum gb energy = 695.6998343710976 eV
minimum distance =  0.7164437002048 Angstroms
sigma value = 17


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

Energy: 846.7139420129466
Energy: 864.3576470245367
Energy: 833.2538706143863
Energy: 864.3576470245367
Energy: 865.0393138239947
Energy: 873.4930414941756
Energy: 860.5754532556807
Energy: 873.493041494174
Energy: 829.917668791982
Energy: 864.4196335726275
Energy: 848.3873332211865
Energy: 864.419633572626
Energy: 853.6390472480693
Energy: 832.1853076747265
Energy: 867.9838760296744
Energy: 832.1853076747282
Energy: 843.6701836812978
Energy: 829.749282959296
Energy: 843.5998891841235
Energy: 829.7492829592976
Energy: 830.2797290822753
Energy: 832.4895997548479
Energy: 837.0654891023687
Energy: 832.4895997548426
Energy: 838.8947035638291
Energy: 855.9012147723396
Energy: 828.9990265358782
Energy: 855.9012147723363
Energy: 852.6481573857343
Energy: 832.5662231156924
Energy: 864.2273686296269
Energy: 832.5662231156941
Energy: 832.7810026564126
Energy: 869.0796854604947
Energy: 837.4017181861258
Energy: 869.0796854604947
Energy: 830.3691890274479
Energy: 848.930551096028
Energy: 852.1094143760422
Energy: 848.930551096028
Energy: 841.6224760337825
Energy: 830.4268508900955
Energy: 828.6125223867622
Energy: 830.4268508900972
Energy: 829.1885806540309
Energy: 831.1995289403388
Energy: 836.1654522886013
Energy: 831.1995289403404
Energy: 841.1560194592362
Energy: 831.2882826107943
Energy: 846.8638616768859
Energy: 831.2882826107957
Energy: 841.1489234678421
Energy: 840.9967258027929
Energy: 829.1060339839546
Energy: 840.9967258027929
Energy: 830.7744346040893
Energy: 872.045470657854
Energy: 836.5318655013511
Energy: 872.045470657854
Energy: 832.4974581034232
Energy: 871.6344626845464
Energy: 837.0721766277716
Energy: 871.6344626845464
Energy: 838.883979811368
Energy: 847.8147916616674
Energy: 865.7314733053965
Energy: 847.8147916616692
Energy: 838.9452625673079
Energy: 865.8111362515006
Energy: 828.4622558527345
Energy: 865.8111362515006
Energy: 829.900114026828
Energy: 831.6605646677964
Energy: 844.3598380899834
Energy: 831.6605646677978
Energy: 842.1352883516445
Energy: 830.4062955642738
Energy: 844.8915853100564
Energy: 830.4062955642788
Energy: 828.8600038123668
Energy: 832.6111443111876
Energy: 843.7365698726139
Energy: 832.611144311189
Energy: 830.9521383248327
Energy: 864.0293081284924
Energy: 839.1898365135778
Energy: 864.0293081284924
Energy: 850.8462008788836
Energy: 881.3516143398015
Energy: 852.3498128114654
Energy: 881.3516143398015
Energy: 837.3529061149255
Energy: 868.002788530692
Energy: 832.7473263190151
Energy: 868.002788530692
Energy: 870.9818260556824
Energy: 832.3007349854448
Energy: 860.250848204121
Energy: 832.3007349854432
Energy: 836.2078811891826
Energy: 864.2333768008938
Energy: 841.107063664373
Energy: 864.2333768008956
Energy: 828.1618861955391
Energy: 831.5366700873138
Energy: 829.9086684666679
Energy: 831.5366700873122
Energy: 848.380388146588
Energy: 837.916664241703
Energy: 841.1704848623947
Energy: 837.916664241701
Energy: 868.0471375995568
Energy: 877.8707861618776
Energy: 843.3738863004257
Energy: 877.8707861618794
Energy: 846.704180402136
Energy: 864.4828638024808
Energy: 833.1664284726436
Energy: 864.4828638024788

minimum gb energy = 828.1618861955391 eV
minimum distance =  0.647387965069106 Angstroms
sigma value = 53


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

Energy: 743.4899337281737
Energy: 767.056617397378
Energy: 723.3190049943331
Energy: 767.056617397378
Energy: 767.2923446996313
Energy: 782.2453905618271
Energy: 761.1467961465938
Energy: 782.2453905618271
Energy: 746.3888737857106
Energy: 767.3299065385246
Energy: 715.6276136887815
Energy: 767.3299065385246
Energy: 762.892337574605
Energy: 727.4728763500508
Energy: 767.9398685640224
Energy: 727.4728763500466
Energy: 755.8505444242368
Energy: 767.4895887210649
Energy: 719.7237082220113
Energy: 767.4895887210612
Energy: 741.6232378921554
Energy: 750.2585525549957
Energy: 719.6328384332529
Energy: 750.2585525549957
Energy: 743.8835681872553
Energy: 743.0386270783353
Energy: 723.1621550823356
Energy: 743.038627078339
Energy: 745.3353139294198
Energy: 743.5746839386816
Energy: 762.5833085349184
Energy: 743.5746839386816
Energy: 758.1895386304907
Energy: 759.5608529443455
Energy: 716.3400683885812
Energy: 759.5608529443417
Energy: 741.1547778835586
Energy: 777.6792909001051
Energy: 757.1984764962177
Energy: 777.6792909001051
Energy: 762.7716848962874
Energy: 773.4874611901064
Energy: 720.1855265285204
Energy: 773.4874611901064
Energy: 770.6744731803744
Energy: 743.7581518398939
Energy: 720.1877567517364
Energy: 743.7581518398939
Energy: 745.1588121990826
Energy: 742.950467781891
Energy: 747.2492894900394
Energy: 742.9504677818949

minimum gb energy = 715.6276136887815 eV
minimum distance =  0.927288346632385 Angstroms
sigma value = 9


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

Energy: 976.6836484054796
Energy: 1009.0583319591763
Energy: 971.3247809110298
Energy: 1009.0583319591763
Energy: 1010.2739882896166
Energy: 1024.113349609882
Energy: 999.3110992893337
Energy: 1024.113349609885
Energy: 981.4926225695018
Energy: 1004.7656213197145
Energy: 988.6324831586197
Energy: 1004.7656213197145
Energy: 970.4247367071057
Energy: 974.888462569222
Energy: 1013.0117189765649
Energy: 974.8884625692249
Energy: 970.6480595734658
Energy: 973.4140725878394
Energy: 994.0169214022598
Energy: 973.4140725878354
Energy: 1001.2919778713461
Energy: 974.6133570916504
Energy: 993.6121355192831
Energy: 974.6133570916488
Energy: 985.8105712360375
Energy: 1010.8488608243189
Energy: 972.8511338559205
Energy: 1010.8488608243189
Energy: 979.7020616687876
Energy: 1004.4159617515102
Energy: 997.3604827574738
Energy: 1004.4159617515045
Energy: 971.7579268952516
Energy: 973.5532796942268
Energy: 967.87496956773
Energy: 973.553279694224
Energy: 969.1322300166285
Energy: 973.918484394811
Energy: 971.5149492740835
Energy: 973.9184843948138
Energy: 970.492582274733
Energy: 974.8185717911459
Energy: 994.4757651177581
Energy: 974.8185717911459
Energy: 972.5486971439493
Energy: 1006.8340553655213
Energy: 987.0711416588008
Energy: 1006.8340553655213
Energy: 991.6259383005847
Energy: 1020.2751568971555
Energy: 1002.6131810946641
Energy: 1020.2751568971569
Energy: 992.7809019443932
Energy: 998.9785371140306
Energy: 971.4794392127528
Energy: 998.9785371140334
Energy: 1013.454974699268
Energy: 974.8041782051284
Energy: 1000.1296399905093
Energy: 974.8041782051212
Energy: 990.2262455825244
Energy: 973.6996123532347
Energy: 985.087849575532
Energy: 973.6996123532333
Energy: 991.4582864749303
Energy: 975.4726690297628
Energy: 1004.5492933031506
Energy: 975.4726690297656
Energy: 971.2916146536041
Energy: 1009.1114719200847
Energy: 976.6653546860357
Energy: 1009.1114719200847
Energy: 1000.500426870802
Energy: 1022.6756548970774
Energy: 1003.0549973256042
Energy: 1022.6756548970802
Energy: 988.7132663417941
Energy: 1005.1389838555829
Energy: 982.1465121241346
Energy: 1005.1389838555843
Energy: 972.4455575025398
Energy: 974.5489514122067
Energy: 970.5636732309877
Energy: 974.5489514122039
Energy: 994.2011905649705
Energy: 973.9074766865459
Energy: 970.0310713908889
Energy: 973.9074766865474
Energy: 993.8988602080921
Energy: 995.7103998733346
Energy: 972.29817241356
Energy: 995.7103998733332
Energy: 973.0815635985701
Energy: 1012.9869291425555
Energy: 985.7608837989885
Energy: 1012.9869291425571
Energy: 972.5990662863688
Energy: 1014.5555976445328
Energy: 980.1934716147427
Energy: 1014.5555976445328
Energy: 967.916578960609
Energy: 973.8315700442573
Energy: 971.6300351816413
Energy: 973.8315700442573
Energy: 971.6382549161225
Energy: 974.2901083206875
Energy: 969.0174845530537
Energy: 974.2901083206904
Energy: 997.0581580490301
Energy: 974.7145687448734
Energy: 970.8342692236425
Energy: 974.7145687448777
Energy: 987.0498392399085
Energy: 1005.475156033239
Energy: 972.417946491085
Energy: 1005.475156033239
Energy: 1002.2427756426547
Energy: 1020.3613441881928
Energy: 991.288585948282
Energy: 1020.36134418819
Energy: 971.6657862431261
Energy: 998.7936590797686
Energy: 978.7609405120123
Energy: 998.7936590797715
Energy: 993.3886451791434
Energy: 974.9043679825639
Energy: 1014.5191622344048
Energy: 974.9043679825597
Energy: 984.794272119307
Energy: 973.120359478523
Energy: 982.2108884855273
Energy: 973.1203594785428
Energy: 1007.9650655786305
Energy: 975.7572356442109
Energy: 970.5581268657418
Energy: 975.7572356442096
Energy: 977.5707564316234
Energy: 1009.527380639459
Energy: 971.4536246783953
Energy: 1009.527380639459

minimum gb energy = 967.87496956773 eV
minimum distance =  0.652623588883163 Angstroms
sigma value = 73


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

Energy: 623.6674950843407
Energy: 640.2536198254377
Energy: 616.9839545463827
Energy: 640.2536198254377
Energy: 640.3981689768868
Energy: 656.4262591726228
Energy: 628.2076129319362
Energy: 656.4262591726228
Energy: 619.4764114018406
Energy: 631.9789153364264
Energy: 625.8969072311727
Energy: 631.9789153364197
Energy: 613.9082661867843
Energy: 617.0199617506561
Energy: 638.6386874143658
Energy: 617.0199617506561
Energy: 630.8917425958757
Energy: 615.997732723768
Energy: 630.4142768283336
Energy: 615.9977327237724
Energy: 615.158313266994
Energy: 617.232588135957
Energy: 633.5418155655411
Energy: 617.2325881359548
Energy: 628.7329224584836
Energy: 648.7042314516597
Energy: 615.8827619444198
Energy: 648.7042314516597
Energy: 631.8467845249286
Energy: 633.3921226791613
Energy: 632.7249860919039
Energy: 633.3921226791613
Energy: 614.471285743635
Energy: 616.077416572891
Energy: 626.342428615249
Energy: 616.0774165728886
Energy: 629.4132124266191
Energy: 622.5655490614951
Energy: 614.241451283991
Energy: 622.5655490614973
Energy: 613.8386757047621
Energy: 645.255438911721
Energy: 633.5497168303413
Energy: 645.255438911721
Energy: 614.6112349536899
Energy: 637.1572266090677
Energy: 624.7220787192999
Energy: 637.1572266090677
Energy: 609.9007586358417
Energy: 616.9046224054226
Energy: 638.5801720817202
Energy: 616.9046224054205
Energy: 626.0145835134845
Energy: 634.8193975034399
Energy: 618.3425850192997
Energy: 634.8193975034376
Energy: 614.4322057654778
Energy: 617.6104706282214
Energy: 635.2432940238724
Energy: 617.6104706282237
Energy: 630.625315787678
Energy: 643.6964970627104
Energy: 629.9617619811422
Energy: 643.6964970627126
Energy: 633.1985229010758
Energy: 660.0876516253081
Energy: 645.4127760334883
Energy: 660.0876516253081
Energy: 616.7131702319258
Energy: 646.584627585226
Energy: 626.0274380727595
Energy: 646.584627585226
Energy: 633.251875640881
Energy: 618.0096329062492
Energy: 632.0383200652287
Energy: 618.0096329062492
Energy: 624.9804816028795
Energy: 640.8528352696977
Energy: 617.748970025942
Energy: 640.8528352696977
Energy: 649.6705105072615
Energy: 624.6564136839262
Energy: 631.0725895243744
Energy: 624.6564136839283
Energy: 623.7391038697459
Energy: 642.7632468232906
Energy: 615.3616411068424
Energy: 642.7632468232906

minimum gb energy = 609.9007586358417 eV
minimum distance =  0.745972763983325 Angstroms
sigma value = 7


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

Energy: 885.9898245899483
Energy: 904.8675231965174
Energy: 867.0806611036593
Energy: 904.867523196519
Energy: 905.9329861028009
Energy: 871.0549626040023
Energy: 897.3853792469416
Energy: 871.0549626039991
Energy: 877.2591758749527
Energy: 901.9497499976596
Energy: 876.7410364495558
Energy: 901.9497499976596
Energy: 866.8287824251348
Energy: 870.6241138345642
Energy: 912.0973181773471
Energy: 870.6241138345547
Energy: 867.023666143294
Energy: 894.2221607206519
Energy: 877.5341651267073
Energy: 894.2221607206551
Energy: 897.8606424599003
Energy: 869.8519148906282
Energy: 878.1241694123635
Energy: 869.8519148906172
Energy: 887.457532019024
Energy: 901.8588288899992
Energy: 867.682303788934
Energy: 901.8588288900056
Energy: 878.256232457105
Energy: 905.087561423519
Energy: 874.932798667593
Energy: 905.0875614235174
Energy: 876.2880277732626
Energy: 870.418056746791
Energy: 884.429568233465
Energy: 870.4180567467923
Energy: 888.465802321074
Energy: 869.491037462555
Energy: 866.3506007645335
Energy: 869.49103746255
Energy: 893.8717207122905
Energy: 907.6126477560975
Energy: 890.197275280797
Energy: 907.6126477560975
Energy: 867.4881280746348
Energy: 906.666463774051
Energy: 873.7270850299356
Energy: 906.6664637740494
Energy: 883.1617207706123
Energy: 870.8741167856193
Energy: 907.0417725117142
Energy: 870.8741167856177
Energy: 891.2927584698788
Energy: 902.6682041875242
Energy: 880.4341142247521
Energy: 902.6682041875226
Energy: 912.2835298555048
Energy: 870.9618259848093
Energy: 865.1589327139396
Energy: 870.9618259848013
Energy: 885.9388311445183
Energy: 905.175218652822
Energy: 867.2142067857337
Energy: 905.175218652822
Energy: 878.9472287771367
Energy: 916.7732922534905
Energy: 886.6161414414149
Energy: 916.7732922534921
Energy: 867.6689293093252
Energy: 885.7986972724233
Energy: 877.3349887351586
Energy: 885.7986972724201
Energy: 872.4072257301215
Energy: 870.0976563878689
Energy: 867.6493074385987
Energy: 870.0976563878689
Energy: 866.5427180315532
Energy: 870.1577754861887
Energy: 893.571305885826
Energy: 870.1577754861823
Energy: 867.9180158963446
Energy: 906.499549682422
Energy: 876.841106670779
Energy: 906.499549682422
Energy: 887.5948487743229
Energy: 910.6896618792741
Energy: 867.8722654490862
Energy: 910.689661879271
Energy: 887.2425510669804
Energy: 903.8239177142713
Energy: 866.8685270741635
Energy: 903.8239177142713
Energy: 910.5295148003618
Energy: 870.1819589409313
Energy: 890.8078149054879
Energy: 870.1819589409249
Energy: 888.1486447422773
Energy: 869.3397934612636
Energy: 866.9405290443285
Energy: 869.33979346127
Energy: 882.2001297362019
Energy: 917.1872889158176
Energy: 905.2655279114701
Energy: 917.1872889158176
Energy: 867.2214098407618
Energy: 905.6458563067563
Energy: 874.0129179792885
Energy: 905.6458563067549
Energy: 889.5278316690001
Energy: 870.2715768324609
Energy: 909.6881914026375
Energy: 870.2715768324673
Energy: 891.7469707980066
Energy: 869.5548809707359
Energy: 891.999794147106
Energy: 869.5548809707437
Energy: 910.3138372338598
Energy: 870.1890830200668
Energy: 880.1569287718336
Energy: 870.1890830200716
Energy: 885.7557420489338
Energy: 907.4805126579841
Energy: 867.7606877992276
Energy: 907.4805126579841

minimum gb energy = 865.1589327139396 eV
minimum distance =  0.708317577752305 Angstroms
sigma value = 29


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

Energy: 633.2523200414026
Energy: 672.7909173953766
Energy: 643.8962683731014
Energy: 672.790917395376
Energy: 667.4080105583533
Energy: 710.7046129087557
Energy: 689.0841180715726
Energy: 710.7046129087553
Energy: 669.5700498210153
Energy: 702.6162617261566
Energy: 634.4620824665421
Energy: 702.6162617261566
Energy: 638.1219400891783
Energy: 646.4216039117566
Energy: 703.0625895240486
Energy: 646.4216039117575
Energy: 642.5007551856504
Energy: 667.8731888065371
Energy: 635.3230851190165
Energy: 667.8731888065371
Energy: 704.691107097454
Energy: 668.51913163334
Energy: 636.3322060822445
Energy: 668.51913163334
Energy: 631.8927460293448
Energy: 702.4697090300212
Energy: 684.8873569757806
Energy: 702.4697090300198
Energy: 689.3938881649275
Energy: 704.3460355317748
Energy: 637.9126238520428
Energy: 704.3460355317748
Energy: 637.9313134677234
Energy: 695.7560959337752
Energy: 666.376740359959
Energy: 695.7560959337752

minimum gb energy = 631.8927460293448 eV
minimum distance =  0.884011076695818 Angstroms
sigma value = 5


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

Energy: 923.747072073781
Energy: 953.0635906522448
Energy: 919.8226141845082
Energy: 953.0635906522448
Energy: 952.9419319423007
Energy: 966.9197251675655
Energy: 934.7578622212745
Energy: 966.9197251675655
Energy: 941.162158090556
Energy: 921.2529411875408
Energy: 943.0653808248278
Energy: 921.2529411875394
Energy: 928.8683831859197
Energy: 921.1079433490645
Energy: 960.6924023062418
Energy: 921.1079433490675
Energy: 919.56641532359
Energy: 961.8028433591372
Energy: 926.2787908262738
Energy: 961.8028433591372
Energy: 918.9062639322966
Energy: 960.5185446527389
Energy: 925.8524842412494
Energy: 960.5185446527374
Energy: 933.5564403765391
Energy: 920.4933238684521
Energy: 965.2716305041771
Energy: 920.4933238684537
Energy: 918.3952623838686
Energy: 942.105748323176
Energy: 940.1885750668594
Energy: 942.1057483231774
Energy: 945.4284004360691
Energy: 964.5178842881688
Energy: 939.9160344221468
Energy: 964.5178842881688
Energy: 924.9934812014426
Energy: 946.6272019920175
Energy: 918.5660409804341
Energy: 946.6272019920162
Energy: 946.9724501459463
Energy: 920.9691382744535
Energy: 917.5705809436213
Energy: 920.9691382744551
Energy: 929.0806715316119
Energy: 921.0560576976675
Energy: 917.8860709450101
Energy: 921.0560576976704
Energy: 925.0467817948478
Energy: 957.1077119181697
Energy: 918.3348771837598
Energy: 957.1077119181681
Energy: 917.8376663079621
Energy: 920.9282724396866
Energy: 926.7746813958257
Energy: 920.9282724396835
Energy: 938.4769861278784
Energy: 956.1311427025021
Energy: 928.6384940048265
Energy: 956.1311427025008
Energy: 917.9691080902364
Energy: 921.6253846457859
Energy: 956.6604180422871
Energy: 921.6253846457859
Energy: 920.0573649946854
Energy: 953.0966049512459
Energy: 938.3109730836838
Energy: 953.0966049512429
Energy: 933.8911640005532
Energy: 966.0000949222548
Energy: 951.6705768982988
Energy: 966.0000949222564
Energy: 943.9353707756385
Energy: 921.3575910861484
Energy: 918.1928764949339
Energy: 921.3575910861454
Energy: 918.3788687751921
Energy: 921.1550974769806
Energy: 928.8706803853607
Energy: 921.1550974769763
Energy: 925.31604872328
Energy: 963.2897005005462
Energy: 919.269910326581
Energy: 963.2897005005462
Energy: 923.5725808061376
Energy: 958.5943260780165
Energy: 919.6465241230687
Energy: 958.5943260780181
Energy: 966.0894861242892
Energy: 920.9303270237467
Energy: 939.9869668353775
Energy: 920.9303270237455
Energy: 939.9151027888042
Energy: 920.8316144251717
Energy: 918.3715443383146
Energy: 920.8316144251701
Energy: 939.9348950104877
Energy: 965.103213529363
Energy: 947.1310582628178
Energy: 965.1032135293616
Energy: 918.9289394090392
Energy: 947.317607213765
Energy: 925.068461419732
Energy: 947.3176072137619
Energy: 917.6871329744246
Energy: 958.2925067868889
Energy: 944.7129653747534
Energy: 958.2925067868889
Energy: 941.2896553148507
Energy: 921.2118663844393
Energy: 946.6053440306844
Energy: 921.2118663844408
Energy: 919.4207968417442
Energy: 954.0496951525773
Energy: 925.3677507936857
Energy: 954.0496951525789
Energy: 929.4811549127668
Energy: 964.103231864975
Energy: 917.5762371718696
Energy: 964.103231864975
Energy: 928.963363195524
Energy: 954.8374699721478
Energy: 938.0487779838371
Energy: 954.8374699721478
Energy: 965.4036178846629
Energy: 921.3080431946883
Energy: 924.7271555503938
Energy: 921.3080431946912
Energy: 938.0362000680509
Energy: 953.3392237192585
Energy: 920.0819394049981
Energy: 953.339223719257

minimum gb energy = 917.5705809436213 eV
minimum distance =  0.68630825005552 Angstroms
sigma value = 1


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

Energy: 677.9737788491941
Energy: 707.0007685083574
Energy: 669.1540884643362
Energy: 707.0007685083574
Energy: 696.5683154838146
Energy: 716.5325950637078
Energy: 685.9454087395538
Energy: 716.5325950637078
Energy: 694.3802851484036
Energy: 703.6929749319502
Energy: 684.492498591144
Energy: 703.6929749319502
Energy: 683.421807324739
Energy: 670.2734754291106
Energy: 667.3602295303563
Energy: 670.2734754291148
Energy: 668.7977471242873
Energy: 710.8755489726904
Energy: 679.121629556615
Energy: 710.8755489726904
Energy: 668.442345666848
Energy: 710.8909661990834
Energy: 678.9214617437588
Energy: 710.8909661990834
Energy: 693.1795751462303
Energy: 670.2775289733577
Energy: 717.1006636196381
Energy: 670.2775289733577
Energy: 668.1367257098092
Energy: 700.5177636099338
Energy: 681.9183538681177
Energy: 700.5177636099359
Energy: 699.6847532682762
Energy: 714.5102610115339
Energy: 685.0108190253259
Energy: 714.5102610115339
Energy: 680.1717586219772
Energy: 691.4033729843902
Energy: 668.0528195147016
Energy: 691.4033729843902
Energy: 691.9218360183726
Energy: 670.7322206051548
Energy: 675.8086325746262
Energy: 670.7322206051612
Energy: 676.8664718841346
Energy: 699.5821228843236
Energy: 667.0399891516184
Energy: 699.5821228843257
Energy: 677.4660891469862
Energy: 700.2426901550331
Energy: 669.4385887479524
Energy: 700.2426901550309
Energy: 709.5293468234603
Energy: 670.5285103318787
Energy: 685.2976822975262
Energy: 670.5285103318787
Energy: 681.5101471856383
Energy: 708.1519176819876
Energy: 684.0751127788131
Energy: 708.1519176819896
Energy: 683.6367033088503
Energy: 671.24989376699
Energy: 707.3275163499552
Energy: 671.2498937669941
Energy: 669.4609361943735
Energy: 705.4845129316207
Energy: 680.756851174446
Energy: 705.4845129316186
Energy: 693.4356429786625
Energy: 670.5413596591385
Energy: 682.8707357080996
Energy: 670.5413596591427
Energy: 692.6457264202919
Energy: 670.2710383811742
Energy: 686.5050263339698
Energy: 670.2710383811658
Energy: 668.4964832472976
Energy: 702.127673667041
Energy: 682.3207435092306
Energy: 702.127673667039
Energy: 680.1215495777011
Energy: 702.5632370859847
Energy: 679.0889354106356
Energy: 702.5632370859785
Energy: 679.3726936749379
Energy: 708.0820197866105
Energy: 677.3947929831863
Energy: 708.0820197866105
Energy: 716.9408562407178
Energy: 670.2825600749565
Energy: 676.2505156460442
Energy: 670.2825600749565
Energy: 677.5037348064607
Energy: 699.3736519391451
Energy: 669.248249204823
Energy: 699.3736519391473

minimum gb energy = 667.0399891516184 eV
minimum distance =  0.715795801337381 Angstroms
sigma value = 17


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

Energy: 1077.7736242537148
Energy: 1109.4133845207448
Energy: 1076.5898765468085
Energy: 1109.4133845207432
Energy: 1112.8582377202708
Energy: 1119.0766034784335
Energy: 1072.1761037992615
Energy: 1119.0766034784326
Energy: 1085.2464371948888
Energy: 1110.0116028303398
Energy: 1096.8323822166553
Energy: 1110.0116028303385
Energy: 1094.4822777527052
Energy: 1076.297674855218
Energy: 1073.5499523903395
Energy: 1076.2976748552526
Energy: 1073.1151986333273
Energy: 1113.7262480206875
Energy: 1077.814369325375
Energy: 1113.7262480206862
Energy: 1073.368495619234
Energy: 1110.8369744617594
Energy: 1092.4178633886575
Energy: 1110.8369744617594
Energy: 1072.0108462395117
Energy: 1076.0906549916112
Energy: 1121.7667612391556
Energy: 1076.0906549916099
Energy: 1074.3230276887846
Energy: 1104.0555565486711
Energy: 1091.164047128004
Energy: 1104.0555565486736
Energy: 1098.369532795682
Energy: 1117.6092967220231
Energy: 1101.0386265724565
Energy: 1117.6092967220231
Energy: 1081.5152683486158
Energy: 1107.996536464509
Energy: 1072.8353837503228
Energy: 1107.996536464509
Energy: 1072.749701590389
Energy: 1075.7766755087634
Energy: 1083.1639299634703
Energy: 1075.776675508765
Energy: 1088.00305909265
Energy: 1116.1699999399393
Energy: 1073.0806643755998
Energy: 1116.1699999399393
Energy: 1089.6083507057235
Energy: 1110.9003119297076
Energy: 1075.1745394445209
Energy: 1110.900311929709
Energy: 1122.2228247858793
Energy: 1076.6074939865869
Energy: 1093.4086508572202
Energy: 1076.6074939865828
Energy: 1082.1791338970686
Energy: 1075.8604725915122
Energy: 1073.5560461979464
Energy: 1075.8604725915134
Energy: 1093.1040470335424
Energy: 1076.461566760151
Energy: 1100.7400915388703
Energy: 1076.4615667601438
Energy: 1074.0375408618584
Energy: 1100.556921981067
Energy: 1093.0367455005535
Energy: 1100.5569219810632
Energy: 1079.0164974743363
Energy: 1076.6226581989615
Energy: 1096.2583716689899
Energy: 1076.6226581989602
Energy: 1072.7173141773162
Energy: 1116.299255361089
Energy: 1093.42177883055
Energy: 1116.299255361089
Energy: 1076.2410067081526
Energy: 1109.8065833261142
Energy: 1077.6750761660799
Energy: 1109.8065833261142
Energy: 1099.3367849031483
Energy: 1119.854572928001
Energy: 1115.9823583053164
Energy: 1119.854572928001
Energy: 1095.9210664789043
Energy: 1109.4424303750545
Energy: 1093.6229617417769
Energy: 1109.4424303750532
Energy: 1072.5722057147395
Energy: 1076.7621717498434
Energy: 1094.1621335405591
Energy: 1076.7621717498434
Energy: 1078.4187271866108
Energy: 1111.147093509023
Energy: 1074.455090267554
Energy: 1111.147093509023
Energy: 1094.1747603985723
Energy: 1111.983137769547
Energy: 1073.1016113714447
Energy: 1111.9831377695457
Energy: 1103.2525876812347
Energy: 1076.5734194321612
Energy: 1072.3607698135488
Energy: 1076.573419432159
Energy: 1091.4839909596135
Energy: 1103.9485244084024
Energy: 1074.5190643108992
Energy: 1103.9485244083958
Energy: 1095.879148915732
Energy: 1119.7201570894895
Energy: 1096.5389435299924
Energy: 1119.720157089488
Energy: 1072.7907669004046
Energy: 1108.9978552562181
Energy: 1081.1881361737826
Energy: 1108.9978552562193
Energy: 1083.1199069655454
Energy: 1076.0836165322096
Energy: 1118.7479346404625
Energy: 1076.0836165322175
Energy: 1073.9461412048272
Energy: 1115.3412835641338
Energy: 1088.6505431175913
Energy: 1115.3412835641338
Energy: 1074.9928803141686
Energy: 1112.8478516263333
Energy: 1088.9960956289779
Energy: 1112.8478516263358
Energy: 1099.6903785258692
Energy: 1075.8826824915996
Energy: 1120.6384889683616
Energy: 1075.8826824916073
Energy: 1073.4675225164829
Energy: 1075.910983061858
Energy: 1081.2676137981973
Energy: 1075.9109830618615
Energy: 1096.2045101765946
Energy: 1076.1034238744269
Energy: 1094.0935419261418
Energy: 1076.1034238744105
Energy: 1092.9884006876403
Energy: 1099.4926436789528
Energy: 1073.978192934449
Energy: 1099.4926436789515
Energy: 1098.6270648745913
Energy: 1076.22074543945
Energy: 1079.076645643286
Energy: 1076.2207454394447
Energy: 1092.8362372753643
Energy: 1110.783543009694
Energy: 1073.5266661908593
Energy: 1110.7835430096927

minimum gb energy = 1072.0108462395117 eV
minimum distance =  0.808164896601274 Angstroms
sigma value = 89


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

Energy: 640.9961394205433
Energy: 650.5839820850031
Energy: 621.6581034716262
Energy: 650.5839820850031
Energy: 651.7410165670718
Energy: 621.343347992921
Energy: 642.1378628617284
Energy: 621.3433479929196
Energy: 617.1738660618945
Energy: 646.7609030530006
Energy: 639.5516690576586
Energy: 646.7609030530006
Energy: 614.7072583264118
Energy: 629.3505762754069
Energy: 656.84271249622
Energy: 629.3505762754103
Energy: 618.9616405845921
Energy: 650.820805922568
Energy: 612.7922216816652
Energy: 650.820805922568
Energy: 627.7840723690499
Energy: 649.0940438886446
Energy: 612.4861385901943
Energy: 649.0940438886446
Energy: 617.0749893224482
Energy: 620.3655650472895
Energy: 617.3550656407563
Energy: 620.3655650472899
Energy: 617.3586787520828
Energy: 645.2181843482117
Energy: 642.1786338059046
Energy: 645.2181843482117
Energy: 641.5068867687754
Energy: 620.0959629977983
Energy: 642.8059645598911
Energy: 620.0959629977954
Energy: 638.4247121220677
Energy: 646.2543785263557
Energy: 625.8909587058465
Energy: 646.2543785263557
Energy: 656.325224462218
Energy: 627.8275004766433
Energy: 614.9000497779211
Energy: 627.8275004766431
Energy: 613.5737520133843
Energy: 649.2678463558738
Energy: 625.7428400000924
Energy: 649.2678463558738
Energy: 611.7034346021172
Energy: 650.1706376869338
Energy: 629.7710320223623
Energy: 650.1706376869338
Energy: 652.7581500654384
Energy: 621.4138564058337
Energy: 625.2129738189615
Energy: 621.4138564058361
Energy: 640.7095671855541
Energy: 654.3311567496775
Energy: 619.616471395974
Energy: 654.3311567496775

minimum gb energy = 611.7034346021172 eV
minimum distance =  0.697681842253419 Angstroms
sigma value = 13


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

Energy: 984.6639414918375
Energy: 1017.6457921627515
Energy: 984.1764430854826
Energy: 1017.6457921627515
Energy: 1016.0156271017178
Energy: 1026.3913169591294
Energy: 993.8109522061683
Energy: 1026.3913169591294
Energy: 1004.2391461796589
Energy: 1017.2794857190613
Energy: 993.0327659455282
Energy: 1017.2794857190598
Energy: 988.5921581416944
Energy: 983.1865808590152
Energy: 980.0097157854302
Energy: 983.1865808590196
Energy: 980.3044112849823
Energy: 982.5853474160409
Energy: 989.515516346671
Energy: 982.5853474160438
Energy: 1000.162646122905
Energy: 1018.0295052498525
Energy: 988.7035795615033
Energy: 1018.0295052498525
Energy: 985.580323647599
Energy: 982.8568928820093
Energy: 998.6093024658677
Energy: 982.8568928820065
Energy: 982.4936558515157
Energy: 1017.5259778389265
Energy: 995.3589187874343
Energy: 1017.5259778389293
Energy: 979.4278209976043
Energy: 1013.0403958886762
Energy: 1001.3542114423435
Energy: 1013.0403958886833
Energy: 1000.8448583155392
Energy: 983.1352253015361
Energy: 1000.0650408145196
Energy: 983.1352253015431
Energy: 981.5061260323838
Energy: 1013.3054089624274
Energy: 996.6849347288544
Energy: 1013.3054089624258
Energy: 1006.4163526425491
Energy: 982.54127390805
Energy: 1013.4155181137477
Energy: 982.5412739080386
Energy: 1005.874376108002
Energy: 982.7069800754673
Energy: 1000.1151362655112
Energy: 982.706980075487
Energy: 979.4523600382589
Energy: 983.2480839972021
Energy: 991.922013653778
Energy: 983.2480839972077
Energy: 1001.8673411620696
Energy: 1009.5381503902576
Energy: 980.0191884169167
Energy: 1009.5381503902548
Energy: 1000.917219535025
Energy: 1018.5226627647844
Energy: 988.4063228448467
Energy: 1018.5226627647901
Energy: 1029.7950344119708
Energy: 983.1572170355142
Energy: 978.3365708986286
Energy: 983.1572170355114
Energy: 986.2243773109949
Energy: 1018.2958925083572
Energy: 983.4738824074687
Energy: 1018.2958925083585
Energy: 998.9434345335912
Energy: 1026.184246353006
Energy: 979.1081091813882
Energy: 1026.1842463530074
Energy: 1003.282907891623
Energy: 982.550572609508
Energy: 993.1417812932078
Energy: 982.5505726095193
Energy: 987.0429845533205
Energy: 1004.9520030951309
Energy: 979.8647904882047
Energy: 1004.9520030951364
Energy: 979.8877793106437
Energy: 1022.9099299965806
Energy: 988.2476526745686
Energy: 1022.9099299965848
Energy: 979.8108674749186
Energy: 1015.8153086816437
Energy: 989.7515105613664
Energy: 1015.8153086816451
Energy: 977.7480712753164
Energy: 982.2043726088226
Energy: 1020.3211665896876
Energy: 982.2043726088185
Energy: 982.2732943330675
Energy: 1020.0841869970022
Energy: 986.612389394796
Energy: 1020.0841869970022
Energy: 980.9401153177273
Energy: 1021.4323003433724
Energy: 985.5654202302795
Energy: 1021.4323003433709
Energy: 998.7293984126828
Energy: 982.8509570569573
Energy: 1002.3910764065896
Energy: 982.8509570569503
Energy: 981.2276148010654
Energy: 1014.0338582897359
Energy: 996.5833543523788
Energy: 1014.0338582897372
Energy: 978.9652406838883
Energy: 1024.3294912801873
Energy: 1001.8590102703904
Energy: 1024.3294912801832
Energy: 989.1849279968944
Energy: 982.4133847120531
Energy: 988.6471062769173
Energy: 982.4133847120531
Energy: 980.3192412144016
Energy: 983.1538920866224
Energy: 1000.1885809498383
Energy: 983.153892086624
Energy: 1000.347322817556
Energy: 1016.0478962392334
Energy: 980.0651580941382
Energy: 1016.047896239232
Energy: 1002.0234862978161
Energy: 1008.0639407761653
Energy: 980.0647269968987
Energy: 1008.0639407761665
Energy: 1032.563227045608
Energy: 982.265463196557
Energy: 978.4614955704659
Energy: 982.2654631965752
Energy: 1000.616824021149
Energy: 1015.8387396850039
Energy: 982.1923849730086
Energy: 1015.8387396850084

minimum gb energy = 977.7480712753164 eV
minimum distance =  0.711954412820799 Angstroms
sigma value = 37


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

Energy: 566.6896289093006
Energy: 610.3971895670408
Energy: 578.2419760123056
Energy: 610.3971895670383
Energy: 607.9647069657428
Energy: 578.3105896748154
Energy: 603.4206965213525
Energy: 578.3105896748203
Energy: 594.2182056197099
Energy: 622.542138403821
Energy: 597.2801108655752
Energy: 622.542138403821
Energy: 593.6386529955412
Energy: 590.7855190137005
Energy: 574.9510478098134
Energy: 590.7855190015424
Energy: 575.527544670853
Energy: 617.8554829668759
Energy: 568.38708833994
Energy: 617.8554829668759
Energy: 578.7643228101449
Energy: 577.2527541191616
Energy: 583.890063589575
Energy: 577.252754119152
Energy: 570.4763292671454
Energy: 578.0179684227477
Energy: 603.2155824202426
Energy: 578.0179684227477
Energy: 577.1879945307859
Energy: 616.7750584678134
Energy: 591.5659318377216
Energy: 616.7750584678134
Energy: 586.2412314771593
Energy: 624.4402262997754
Energy: 589.2461086692671
Energy: 624.4402262997754
Energy: 603.2115197423271
Energy: 577.6610199183526
Energy: 600.6687461892038
Energy: 577.6610199183575
Energy: 578.2419760123032
Energy: 610.3971895670383
Energy: 566.6896289093006
Energy: 596.6944349256087
Energy: 603.4206965213525
Energy: 578.3105896748154
Energy: 600.012899281062
Energy: 578.3105896748178
Energy: 597.2801108655752
Energy: 622.542138403821
Energy: 594.2182056197123
Energy: 622.542138403821
Energy: 574.951047809811
Energy: 590.7855190015399
Energy: 593.6386529955412
Energy: 590.7855190015399
Energy: 568.3870883399425
Energy: 617.8554829668759
Energy: 575.527544670853
Energy: 617.8554829668759
Energy: 589.909822772536
Energy: 577.2527541191472
Energy: 572.4105011174718
Energy: 577.252754119152
Energy: 603.2155824202426
Energy: 578.0179684227477
Energy: 570.476329267143
Energy: 578.0179684227477
Energy: 591.5659318377241
Energy: 616.775058467811
Energy: 577.1879945307859
Energy: 616.775058467811
Energy: 589.2461086692695
Energy: 624.4402262997754
Energy: 586.2412314771593
Energy: 624.4402262997754
Energy: 593.7463120456042
Energy: 577.66101991835
Energy: 603.2115197423296
Energy: 577.6610199183476

minimum gb energy = 566.6896289093006 eV
minimum distance =  1.45725829407233 Angstroms
sigma value = 25


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

Energy: 743.0377916620546
Energy: 769.9862403533691
Energy: 736.5584939653307
Energy: 769.9862403533709
Energy: 761.916093623118
Energy: 734.730771382708
Energy: 758.3700506899648
Energy: 734.7307713827099
Energy: 746.1417709086923
Energy: 734.8120850829574
Energy: 752.4624021412459
Energy: 734.8120850829516
Energy: 740.3389830642384
Energy: 763.1653656631617
Energy: 734.327453610332
Energy: 763.1653656631579
Energy: 767.8212350732124
Energy: 735.0790938413296
Energy: 747.7750448607326
Energy: 735.0790938413315
Energy: 748.6577742327709
Energy: 773.2100928406513
Energy: 749.7669042241201
Energy: 773.2100928406531
Energy: 747.8199740387159
Energy: 735.1854471843949
Energy: 754.5378375174184
Energy: 735.1854471843949
Energy: 733.5784116129929
Energy: 771.8374586278674
Energy: 744.8141458165956
Energy: 771.8374586278674
Energy: 740.1505076160493
Energy: 734.7465698404352
Energy: 766.3692345373754
Energy: 734.7465698404352
Energy: 740.0645706609995
Energy: 778.3415696139343
Energy: 767.576086501892
Energy: 778.3415696139343
Energy: 736.4208282473448
Energy: 769.2017790501405
Energy: 738.8418761699565
Energy: 769.2017790501405
Energy: 731.6974445393755
Energy: 779.4392221986645
Energy: 767.8589382628918
Energy: 779.4392221986645
Energy: 757.1357788475697
Energy: 736.4342055673184
Energy: 762.7198295161077
Energy: 736.4342055673146
Energy: 736.0103144790286
Energy: 771.0541720710796
Energy: 742.7339160265016
Energy: 771.0541720710796
Energy: 759.6328234367176
Energy: 734.8729796432641
Energy: 754.1389353811969
Energy: 734.8729796432641
Energy: 753.0444627987206
Energy: 774.1440275320491
Energy: 747.0683521872238
Energy: 774.1440275320491
Energy: 733.1128832159867
Energy: 745.5230272595213
Energy: 758.1412141301499
Energy: 745.5230272595213
Energy: 745.8997266018929
Energy: 735.462813668853
Energy: 733.2527527775933
Energy: 735.462813668853
Energy: 749.2230099148022
Energy: 771.8909671668972
Energy: 747.3899682525396
Energy: 771.8909671668972
Energy: 764.8566229909376
Energy: 777.5752978456755
Energy: 749.1489003649227
Energy: 777.5752978456755
Energy: 744.9876704523573
Energy: 770.2173987023203
Energy: 733.0670459252987
Energy: 770.2173987023203
Energy: 749.1858736033345
Energy: 735.2442377071557
Energy: 729.6040111352319
Energy: 735.2442377071538
Energy: 743.6846153860218
Energy: 776.2617315272403
Energy: 742.9163066587754
Energy: 776.2617315272403
Energy: 738.6674482607325
Energy: 769.6355623060828
Energy: 735.6146407995249
Energy: 769.6355623060865
Energy: 787.899685563671
Energy: 735.7563303318741
Energy: 731.2684587933901
Energy: 735.7563303318759
Energy: 744.4460107567459
Energy: 764.7292691252028
Energy: 733.6012042801542
Energy: 764.7292691252046

minimum gb energy = 729.6040111352319 eV
minimum distance =  0.780736629473774 Angstroms
sigma value = 41


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

Energy: 910.5755517384025
Energy: 923.7256943520271
Energy: 893.2252151416405
Energy: 923.7256943520225
Energy: 921.5578840161749
Energy: 892.1480060389953
Energy: 904.0093993582315
Energy: 892.1480060389999
Energy: 917.0206122835018
Energy: 925.0643321294405
Energy: 888.1786913829529
Energy: 925.0643321294405
Energy: 897.3780975975473
Energy: 920.9870249880441
Energy: 890.2836282443476
Energy: 920.9870249880441
Energy: 889.9827244825129
Energy: 892.0586343582902
Energy: 912.7188463994354
Energy: 892.0586343582935
Energy: 911.8225095203208
Energy: 891.2359341969791
Energy: 900.8005205050313
Energy: 891.2359341969823
Energy: 912.4729165405178
Energy: 892.0159359580114
Energy: 889.8839611105116
Energy: 892.0159359580175
Energy: 889.7857419802283
Energy: 891.9138418092157
Energy: 898.9429877312989
Energy: 891.9138418092172
Energy: 901.8936284312913
Energy: 891.0526145207418
Energy: 914.3577243844516
Energy: 891.0526145207557
Energy: 887.6027371390618
Energy: 891.9796164399203
Energy: 914.3466755462866
Energy: 891.9796164399216
Energy: 890.5266252522973
Energy: 916.3882908691123
Energy: 911.8438277638334
Energy: 916.3882908691091
Energy: 891.2986255656483
Energy: 891.7487018039013
Energy: 902.5945951223467
Energy: 891.7487018039013
Energy: 889.1855616249483
Energy: 924.6783718576855
Energy: 914.2305463982348
Energy: 924.6783718576901
Energy: 892.8914986082416
Energy: 923.9633750066859
Energy: 896.2457545831307
Energy: 923.9633750066859
Energy: 888.6095791265702
Energy: 892.3810357721534
Energy: 920.5845737906521
Energy: 892.3810357721534
Energy: 889.3610398079862
Energy: 922.5461873925342
Energy: 909.8213586979426
Energy: 922.5461873925342
Energy: 890.5515605364902
Energy: 922.4349744335359
Energy: 910.4953959093044
Energy: 922.4349744335359
Energy: 899.780038515412
Energy: 892.0457882641355
Energy: 932.9790506818617
Energy: 892.0457882641371
Energy: 889.7890007302943
Energy: 913.2339839321828
Energy: 898.8431819380305
Energy: 913.2339839321812
Energy: 888.9657048508989
Energy: 892.4055255034533
Energy: 900.1184479899557
Energy: 892.405525503461
Energy: 912.8271471589927
Energy: 891.5279101780045
Energy: 889.6912600627736
Energy: 891.5279101780045
Energy: 889.8250087161688
Energy: 892.0086421416493
Energy: 912.495567064987
Energy: 892.0086421416446
Energy: 913.547444924839
Energy: 891.1445338873931
Energy: 901.6196042336784
Energy: 891.1445338873916
Energy: 898.7764164303281
Energy: 919.8674837505429
Energy: 889.6453231188331
Energy: 919.8674837505429
Energy: 889.6439254367335
Energy: 891.6267817824515
Energy: 900.4593006596543
Energy: 891.6267817824607
Energy: 910.5399452656013
Energy: 925.0329871388706
Energy: 889.5696419673768
Energy: 925.0329871388706
Energy: 910.9883999639451
Energy: 921.4748663009174
Energy: 890.2624474849833
Energy: 921.4748663009174
Energy: 935.993019932149
Energy: 891.8075374910775
Energy: 890.838607386467
Energy: 891.8075374910775
Energy: 897.779962613152
Energy: 926.1191292032357
Energy: 891.0393626345907
Energy: 926.1191292032341
Energy: 898.7025675134653
Energy: 926.9121807836292
Energy: 890.8209323561334
Energy: 926.9121807836292
Energy: 940.29579981483
Energy: 892.1574747134524
Energy: 888.2825401469478
Energy: 892.1574747134556
Energy: 910.1946637019374
Energy: 924.2699400529748
Energy: 892.8307382690621
Energy: 924.2699400529732

minimum gb energy = 887.6027371390618 eV
minimum distance =  0.661144985511801 Angstroms
sigma value = 15


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

Energy: 1054.6908839997395
Energy: 1086.7568152140332
Energy: 1054.2696080054777
Energy: 1086.7568152140407
Energy: 1080.7424024631273
Energy: 1052.8854706472093
Energy: 1068.267370085835
Energy: 1052.8854706472134
Energy: 1074.5311961510254
Energy: 1052.6945598414898
Energy: 1048.3004655915202
Energy: 1052.6945598414873
Energy: 1068.145271593412
Energy: 1083.1014396621222
Energy: 1051.2138754346902
Energy: 1083.1014396621183
Energy: 1050.5947294115513
Energy: 1051.6635595172147
Energy: 1076.2200435485768
Energy: 1051.6635595172158
Energy: 1071.3073064496618
Energy: 1089.4007421993188
Energy: 1062.585798162435
Energy: 1089.4007421993238
Energy: 1055.503493169439
Energy: 1051.394368167928
Energy: 1049.5255012789046
Energy: 1051.3943681698142
Energy: 1050.369053839606
Energy: 1051.816906967049
Energy: 1057.8506889281473
Energy: 1051.8169069670464
Energy: 1069.2280528616711
Energy: 1087.7108826624526
Energy: 1074.7382150011078
Energy: 1087.710882662454
Energy: 1069.442917870698
Energy: 1051.3872155939137
Energy: 1074.014245598571
Energy: 1051.3872155939137
Energy: 1050.3272530743757
Energy: 1076.0237803679179
Energy: 1069.5450240701098
Energy: 1076.0237803679192
Energy: 1058.8375907765503
Energy: 1051.2361637215909
Energy: 1062.5351339106205
Energy: 1051.2361637215936
Energy: 1048.850628003019
Energy: 1085.7745645311338
Energy: 1071.4179102803896
Energy: 1085.7745645311413
Energy: 1050.7741246027038
Energy: 1085.8881522046518
Energy: 1055.1108259911214
Energy: 1085.8881522046518
Energy: 1054.871426034199
Energy: 1051.998149575836
Energy: 1062.7692586290689
Energy: 1051.998149575836
Energy: 1049.7414095491156
Energy: 1091.6828871575628
Energy: 1065.0745981167397
Energy: 1091.6828871575628
Energy: 1051.5948979710477
Energy: 1089.1169427844115
Energy: 1066.1580771234758
Energy: 1089.1169427844115
Energy: 1075.8866925452053
Energy: 1052.2234892957065
Energy: 1094.7073323023517
Energy: 1052.2234892957104
Energy: 1051.4476689030507
Energy: 1089.3949224255787
Energy: 1056.0221055469667
Energy: 1089.3949224255787
Energy: 1051.4632538257292
Energy: 1092.287993822819
Energy: 1069.5428820519842
Energy: 1092.2879938228164
Energy: 1048.44342177403
Energy: 1052.4619650334373
Energy: 1057.6960668625939
Energy: 1052.46196503344
Energy: 1050.7053779527123
Energy: 1084.2169460942994
Energy: 1067.7047650845147
Energy: 1084.2169460942969
Energy: 1048.5897707188672
Energy: 1091.7673510075058
Energy: 1066.0878548298315
Energy: 1091.7673510075058
Energy: 1060.1959230679047
Energy: 1052.2599596410937
Energy: 1057.1027235400963
Energy: 1052.2599596410964
Energy: 1050.5738535719804
Energy: 1083.4983589945105
Energy: 1056.1523016059903
Energy: 1083.4983589945105
Energy: 1071.7939955491322
Energy: 1092.4194183694744
Energy: 1078.7926800990645
Energy: 1092.4194183694717
Energy: 1056.9647554733174
Energy: 1049.989137359747
Energy: 1049.5456199139555
Energy: 1049.989137359747
Energy: 1050.3289779039178
Energy: 1051.821077842761
Energy: 1070.772816592388
Energy: 1051.8210778427583
Energy: 1068.5265752164696
Energy: 1052.3484996809348
Energy: 1049.817198429703
Energy: 1052.3484996809311
Energy: 1067.7590056541562
Energy: 1085.6150331290023
Energy: 1069.9160055790157
Energy: 1085.615033129005
Energy: 1050.1192482406402
Energy: 1051.8170859645643
Energy: 1058.976055312261
Energy: 1051.8170859645643
Energy: 1055.1257649243012
Energy: 1086.7233234894459
Energy: 1051.2430939090013
Energy: 1086.723323489438
Energy: 1072.1171894593363
Energy: 1086.2518659928758
Energy: 1048.1615302853083
Energy: 1086.2518659928799
Energy: 1075.4181332336384
Energy: 1052.2964203771785
Energy: 1054.1818721347254
Energy: 1052.2964203771744
Energy: 1067.2943409299412
Energy: 1088.0761665841426
Energy: 1052.7639457681569
Energy: 1088.0761665841335
Energy: 1072.162031564106
Energy: 1094.5671386020904
Energy: 1048.6867010474134
Energy: 1094.5671386020822
Energy: 1069.4950384329502
Energy: 1052.7145704986995
Energy: 1072.145074564212
Energy: 1052.7145704986958

minimum gb energy = 1048.1615302853083 eV
minimum distance =  1.4130376577447 Angstroms
sigma value = 85


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

Energy: 624.7530683460701
Energy: 643.6021513082729
Energy: 612.1054777938807
Energy: 643.6021513082729
Energy: 632.7592849553077
Energy: 648.007860967543
Energy: 607.0428719901894
Energy: 648.007860967543
Energy: 627.71500980729
Energy: 643.6626618013187
Energy: 606.5314604021436
Energy: 643.6626618013187
Energy: 620.5167344206465
Energy: 640.3850912980197
Energy: 609.2732079257038
Energy: 640.3850912980197
Energy: 608.6982904275494
Energy: 610.6096422169489
Energy: 628.8615046572243
Energy: 610.6096422169478
Energy: 623.7875909107848
Energy: 641.5731925713677
Energy: 607.1207115321245
Energy: 641.5731925713677
Energy: 625.4299918630286
Energy: 636.6813991455566
Energy: 608.5472013878456
Energy: 636.6813991455543
Energy: 608.6779135187378
Energy: 610.1136912574689
Energy: 616.3262900478381
Energy: 610.1136912574689
Energy: 627.5928157542724
Energy: 641.6760207915099
Energy: 627.9968467657972
Energy: 641.6760207915111
Energy: 627.4060581762083
Energy: 610.200634217022
Energy: 608.030463480972
Energy: 610.200634217022
Energy: 608.4937992780233
Energy: 610.7463383905994
Energy: 627.5763631340209
Energy: 610.746338390596
Energy: 628.0238967606349
Energy: 610.0882027037401
Energy: 608.2606278480459
Energy: 610.0882027037434
Energy: 629.1487392254194
Energy: 644.9137188128893
Energy: 628.4391501507856
Energy: 644.9137188128893
Energy: 608.3032106368411
Energy: 639.1609758492339
Energy: 621.2393342066788
Energy: 639.1609758492339
Energy: 617.5039011182812
Energy: 609.5519028595314
Energy: 619.7019601146785
Energy: 609.5519028595302
Energy: 608.1650105177285
Energy: 643.9440618476461
Energy: 623.0079195905729
Energy: 643.9440618476449
Energy: 609.5468642068124
Energy: 641.4832567625303
Energy: 624.1973106276517
Energy: 641.4832567625303
Energy: 629.071977275522
Energy: 610.4137211862358
Energy: 645.182860199478
Energy: 610.4137211862391
Energy: 610.0148186990311
Energy: 644.6679725652934
Energy: 625.1981997054604
Energy: 644.6679725652934
Energy: 609.5060180766902
Energy: 645.2858883998928
Energy: 623.9053992912815
Energy: 645.2858883998939
Energy: 606.6013870782047
Energy: 610.6854498788359
Energy: 620.0414488882228
Energy: 610.6854498788382
Energy: 611.0812104559135
Energy: 641.5473585436863
Energy: 624.5030630456253
Energy: 641.5473585436863
Energy: 608.2152315801554
Energy: 644.6337730068302
Energy: 632.8284198931384
Energy: 644.6337730068302
Energy: 606.2901342568135
Energy: 610.2220990419792
Energy: 624.5646352325318
Energy: 610.2220990419813
Energy: 609.3660360966078
Energy: 639.796526376862
Energy: 620.5545143317063
Energy: 639.796526376862
Energy: 606.5653109672575
Energy: 644.813039691852
Energy: 638.6025187821274
Energy: 644.813039691852
Energy: 627.5975460799801
Energy: 610.1870314967678
Energy: 629.986532960798
Energy: 610.1870314967667
Energy: 609.6855814254333
Energy: 634.9088953640219
Energy: 626.4038576502262
Energy: 634.9088953640253
Energy: 623.8841383595353
Energy: 610.3710167360919
Energy: 608.278734139125
Energy: 610.3710167360941
Energy: 625.4483512261581
Energy: 609.6751942847751
Energy: 628.9281093943644
Energy: 609.6751942847695
Energy: 608.6039125461419
Energy: 609.5290418706024
Energy: 614.6000211144094
Energy: 609.5290418742726
Energy: 627.1976832094593
Energy: 609.556667057226
Energy: 608.1393629993372
Energy: 609.5566670575728
Energy: 632.9325130393113
Energy: 641.5935498222971
Energy: 626.5149968913503
Energy: 641.5935498222971
Energy: 637.2404114509435
Energy: 610.046308803712
Energy: 627.6783273657238
Energy: 610.0463088037109
Energy: 621.450502952331
Energy: 638.2497964850288
Energy: 608.3895790868418
Energy: 638.2497964850301
Energy: 608.3445462788181
Energy: 610.048671065829
Energy: 607.096057140866
Energy: 610.0486710658245
Energy: 628.4373775032989
Energy: 610.7879430910548
Energy: 607.1112422007044
Energy: 610.7879430910525
Energy: 625.4300998767903
Energy: 640.1796932430193
Energy: 610.3978181356514
Energy: 640.1796932430168
Energy: 618.8811334712718
Energy: 610.5914091321856
Energy: 606.7939192100242
Energy: 610.5914091321799
Energy: 625.7459342696394
Energy: 645.7565666431516
Energy: 608.4209878985972
Energy: 645.7565666431493
Energy: 613.743135222888
Energy: 643.3565949725105
Energy: 610.7483660999721
Energy: 643.3565949725116
Energy: 660.6406495940943
Energy: 610.3640631688108
Energy: 628.5929542405918
Energy: 610.3640631688108
Energy: 622.353427996724
Energy: 643.9218096009193
Energy: 609.0831319277203
Energy: 643.9218096009183

minimum gb energy = 606.2901342568135 eV
minimum distance =  0.724621701432802 Angstroms
sigma value = 113


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

Energy: 637.9847312888714
Energy: 688.2996649856016
Energy: 651.4524180412511
Energy: 688.2996649856016
Energy: 697.0090407116018
Energy: 707.8307555825699
Energy: 749.2959615222959
Energy: 707.8307555825689
Energy: 637.9852227502365
Energy: 698.2412467184923
Energy: 749.4988486377213
Energy: 698.2412467184914
Energy: 637.9855096370674
Energy: 691.7123205731023
Energy: 651.451485543554
Energy: 691.7123205731032
Energy: 698.912584147887
Energy: 651.3771095712617
Energy: 749.8287005738063
Energy: 651.3771095712626
Energy: 637.9862062769683
Energy: 691.224230508148
Energy: 751.0653255395807
Energy: 691.224230508148

minimum gb energy = 637.9847312888714 eV
minimum distance =  0.837956414578306 Angstroms
sigma value = 1