Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 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=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 690.6391419497836
Energy: 681.3429613709523
Energy: 697.6997215290611
Energy: 681.3219696481483
Energy: 690.6391419497821
Energy: 681.3429613709523
Energy: 692.0560315441016
Energy: 693.9999770263812
Energy: 700.5854679685086
Energy: 686.9991691395874
Energy: 700.4999324049833
Energy: 693.9999770263759
Energy: 700.585467972817
Energy: 686.9991691395883
Energy: 690.6391419497846
Energy: 681.3429613709523
Energy: 697.6997215290611
Energy: 681.3219696481476
Energy: 690.6391419497832
Energy: 681.3429613709518
Energy: 692.0560315441007
Energy: 693.9999770263788
Energy: 700.5854679685086
Energy: 686.9991691395878
Energy: 700.4999324049837
Energy: 693.9999770263775
Energy: 700.5854679728167
Energy: 686.9991691395888
Energy: 690.6391419497836
Energy: 681.3429613709523
Energy: 697.6997215290602
Energy: 681.3219696481483
Energy: 690.6391419497832
Energy: 681.3429613709527
Energy: 692.0560315441007
Energy: 693.9999770263754
Energy: 700.5854679685091
Energy: 686.9991691395874
Energy: 700.4999324049833
Energy: 693.9999770263744
Energy: 700.5854679728162
Energy: 686.9991691395888

minimum gb energy = 681.3219696481476 eV
minimum distance =  1.57439246973448 Angstroms
sigma value = 5


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

Energy: 1128.3104975062106
Energy: 1130.4681254800614
Energy: 1133.3875421762978
Energy: 1130.4331468082444
Energy: 1128.310497506147
Energy: 1130.4681254800535
Energy: 1133.200430140284
Energy: 1131.1786151160159
Energy: 1130.1938019822123
Energy: 1131.937928735748
Energy: 1128.6524009462555
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Energy: 1131.9379287357501
Energy: 1129.3102076534192
Energy: 1131.3585121689844
Energy: 1131.9376930877336
Energy: 1132.912052137025
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Energy: 1130.5271201751284
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Energy: 1129.8652749802297
Energy: 1133.4027690465339
Energy: 1129.4824296366496
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Energy: 1129.8652749802302
Energy: 1133.4027690458988
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Energy: 1132.6465141112292
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Energy: 1132.6174536477547
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Energy: 1131.8107833424865
Energy: 1132.0963883480445
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Energy: 1131.2513093776442
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Energy: 1132.2289975956833
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Energy: 1131.764936585054
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Energy: 1132.2047786171206
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Energy: 1131.2999299358823
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Energy: 1130.3495193286371
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Energy: 1129.2252382127922
Energy: 1130.3467994399116
Energy: 1132.5774301642168
Energy: 1130.869584544259
Energy: 1132.8410537741352
Energy: 1128.5129251853639
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Energy: 1130.8695845442496
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Energy: 1129.1177229347093
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Energy: 1129.9219366039965
Energy: 1133.02420503764
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Energy: 1131.0944262334974
Energy: 1130.971598656231
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Energy: 1131.5958939552243
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Energy: 1132.599442017869
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Energy: 1128.0889542577668
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Energy: 1128.4629759896816
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Energy: 1131.9827066556613
Energy: 1128.4629759896288
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Energy: 1128.8783506720636
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Energy: 1131.8800314862428
Energy: 1130.9475317451218
Energy: 1128.1802742048915
Energy: 1131.5675965314379
Energy: 1131.8800314862233
Energy: 1130.1592658957393
Energy: 1129.8270682424177
Energy: 1131.5026133493063
Energy: 1129.5152510880996
Energy: 1130.1592658956959
Energy: 1129.8270682424165
Energy: 1131.5026133493113
Energy: 1127.346179564377
Energy: 1132.6537791275136
Energy: 1132.1940673507586
Energy: 1132.5287366884393
Energy: 1127.346179564326
Energy: 1132.6537791275034
Energy: 1132.4786546046257
Energy: 1130.0217166672721
Energy: 1128.9480460291647
Energy: 1134.3521912478948
Energy: 1128.7404275267247
Energy: 1130.0217166672196
Energy: 1128.9480460291695
Energy: 1134.3521912479077
Energy: 1129.244720645544
Energy: 1131.7061211461862
Energy: 1132.2458827966705
Energy: 1132.387855409688
Energy: 1129.2447206454863
Energy: 1131.706121146181
Energy: 1132.3220867394357
Energy: 1131.0415464266866
Energy: 1129.8956939950167
Energy: 1131.748527448877
Energy: 1129.8641299811286
Energy: 1131.0415464266248
Energy: 1129.89569399502
Energy: 1131.748527448877
Energy: 1128.2001284798375
Energy: 1130.1627931664957
Energy: 1131.358314975903
Energy: 1131.3629939952616
Energy: 1128.2001284797836
Energy: 1130.1627931664852
Energy: 1130.4604592145326
Energy: 1130.344561469696
Energy: 1131.0173080732447
Energy: 1131.878830667463
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Energy: 1130.3445614696498
Energy: 1131.0173080732472
Energy: 1131.878830667466
Energy: 1127.8490432059234
Energy: 1130.6375083620019
Energy: 1128.269932323982
Energy: 1131.8949570482732
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Energy: 1130.6375083619869
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Energy: 1128.5597650650413
Energy: 1131.84975966556
Energy: 1131.236382641434
Energy: 1132.0205831660562
Energy: 1128.5597650649852
Energy: 1131.849759665565
Energy: 1131.2363826414348
Energy: 1130.474529163572
Energy: 1131.5922517248644
Energy: 1130.0561435648633
Energy: 1132.2159053314028
Energy: 1130.4745291635159
Energy: 1131.5922517248634
Energy: 1130.0561435648633
Energy: 1128.2239516271707
Energy: 1132.0727316509333
Energy: 1131.8641849187443
Energy: 1131.782579450251
Energy: 1128.2239516271165
Energy: 1132.0727316509408
Energy: 1131.8641849187502
Energy: 1132.5862252328302
Energy: 1129.5481661177926
Energy: 1131.4872027251631
Energy: 1131.3751061180983
Energy: 1132.5862252327756
Energy: 1129.5481661177832
Energy: 1131.4872027251704
Energy: 1130.5751907251392
Energy: 1132.9630653942095
Energy: 1129.3540728315663
Energy: 1133.1055501613148
Energy: 1130.5751907250929
Energy: 1132.9630653942154
Energy: 1129.3540728315668
Energy: 1133.8144817490124
Energy: 1126.5387026721505
Energy: 1133.6635940764393
Energy: 1130.621267769869
Energy: 1133.8144817489665
Energy: 1126.538702672142
Energy: 1133.6635940764368
Energy: 1128.5992312627088
Energy: 1131.5714652559188
Energy: 1129.9857140390857
Energy: 1129.7352288333748
Energy: 1128.5992312626506
Energy: 1131.5714652559207
Energy: 1129.9857140390834
Energy: 1132.5249719216524
Energy: 1128.5054288280846
Energy: 1131.7332037214296
Energy: 1127.7562579488472
Energy: 1132.5249719216035
Energy: 1128.5054288280821
Energy: 1131.7332037214296
Energy: 1128.5857473795463
Energy: 1131.513037814257
Energy: 1127.6318876442444
Energy: 1133.5790148632957
Energy: 1128.5857473794883
Energy: 1131.5130378142605
Energy: 1127.6318876442454
Energy: 1132.1951457942914
Energy: 1130.469411238091
Energy: 1134.2654203702775
Energy: 1127.2543815470933
Energy: 1132.1951457942353
Energy: 1130.4694112380844
Energy: 1134.2654203689212
Energy: 1129.8396762590698
Energy: 1130.6014644186955
Energy: 1131.685083986256
Energy: 1131.350136817334
Energy: 1129.8396762590144
Energy: 1130.6014644186973
Energy: 1131.6850839862552
Energy: 1132.409300876944
Energy: 1131.7852874048988
Energy: 1131.5569025223342
Energy: 1130.0138379476946
Energy: 1132.4093008768841
Energy: 1131.7852874048906
Energy: 1131.5569025223342
Energy: 1127.8826029810155
Energy: 1131.103815734306
Energy: 1129.3009785066233
Energy: 1130.9737756976574
Energy: 1127.882602980955
Energy: 1131.1038157343048
Energy: 1129.3009785066167
Energy: 1132.486764068896
Energy: 1130.9005909004782
Energy: 1129.273231604486
Energy: 1130.708336411934
Energy: 1132.486764068847
Energy: 1130.9005909004688
Energy: 1129.273231604482

minimum gb energy = 1126.538702672142 eV
minimum distance =  1.34181117058433 Angstroms
sigma value = 401


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

Energy: 1002.0109396468025
Energy: 994.1628105578342
Energy: 1001.0522230629626
Energy: 993.4109148718368
Energy: 1002.010939646769
Energy: 994.1628105578383
Energy: 1000.9377443272285
Energy: 1000.7313629499389
Energy: 996.6008883106836
Energy: 999.9256253114124
Energy: 993.6805906951258
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Energy: 999.8000108289192
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Energy: 999.4982686545575
Energy: 997.0232658461748
Energy: 997.4195150730727
Energy: 999.6879801013316
Energy: 998.9642561374748
Energy: 996.598840445114
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Energy: 999.831523290583
Energy: 998.9121920393687
Energy: 998.4151006720924
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Energy: 998.912192039379
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Energy: 998.4727468502317
Energy: 1000.121288374687
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Energy: 998.4894914147669
Energy: 998.472746850233
Energy: 998.7075338589033
Energy: 998.0163317831847
Energy: 997.2649829302213
Energy: 999.0544727266904
Energy: 997.3237285668052
Energy: 998.0163317831325
Energy: 997.264982930226
Energy: 999.0544727266831
Energy: 999.7289494152403
Energy: 995.8009091656613
Energy: 1000.2318850015903
Energy: 996.5615501289525
Energy: 999.7289494152177
Energy: 995.8009091656585
Energy: 1000.2318849993322
Energy: 1001.8514210263328
Energy: 994.75572085505
Energy: 999.2739797595902
Energy: 995.7138517737455
Energy: 1001.8514210263128
Energy: 994.7557208550526
Energy: 1000.1974369267429
Energy: 1000.5667340049469
Energy: 994.1628105578319
Energy: 1000.0949978846431
Energy: 993.4109148718342
Energy: 1000.5667340049233
Energy: 994.1628105578367
Energy: 1000.6218824074756
Energy: 1000.731362949943
Energy: 996.6008883106823
Energy: 999.1819084548692
Energy: 993.8343712023407
Energy: 1000.7313629499148
Energy: 996.6008883106808
Energy: 998.9668543033166

minimum gb energy = 993.4109148718342 eV
minimum distance =  1.39260101097857 Angstroms
sigma value = 311


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

Energy: 571.3872489929742
Energy: 575.5750183815525
Energy: 579.6301736648652
Energy: 575.6008867660071
Energy: 571.3872489929812
Energy: 575.5750183815557
Energy: 579.0150050659281
Energy: 575.4435362225233
Energy: 579.3654094920722
Energy: 576.3839823000593
Energy: 579.1263426919131
Energy: 575.4435362225265
Energy: 579.3654094920659
Energy: 576.3839823000593
Energy: 575.8347085757503
Energy: 576.3550799607394
Energy: 578.6143133621749
Energy: 576.6503833032189
Energy: 575.834708575759
Energy: 576.3550799607385
Energy: 577.5202030519134
Energy: 576.860504825008
Energy: 578.6643091761138
Energy: 576.4147377541401
Energy: 579.3291371467474
Energy: 576.8605048250126
Energy: 578.6643091761138
Energy: 576.4147377541409
Energy: 575.3330218276691
Energy: 574.2613016271977
Energy: 577.3220119694133
Energy: 576.4107056770696
Energy: 575.3330218276723
Energy: 574.2613016271969
Energy: 576.0261894287513
Energy: 577.1886338114791
Energy: 579.0664077854286
Energy: 575.312641146267
Energy: 579.8971726033124
Energy: 577.1886338114831
Energy: 579.0664077854294
Energy: 575.3126411462661
Energy: 576.5914466046831
Energy: 575.6913715167804
Energy: 578.2893383073817
Energy: 576.2038143902643
Energy: 576.5914466046911
Energy: 575.6913715167811
Energy: 577.6511618000844
Energy: 576.8418827194722
Energy: 576.3593190434697
Energy: 574.1796679299479
Energy: 578.6104533627299
Energy: 576.8418827194745
Energy: 576.3593190434697
Energy: 574.1796679299471
Energy: 576.696865877212
Energy: 579.0217422648888
Energy: 575.0835263352058
Energy: 576.4315765768548
Energy: 576.6968658772151
Energy: 579.0217422648888
Energy: 574.3265904607395
Energy: 577.7397906691532
Energy: 574.3649374589826
Energy: 575.1230269278071
Energy: 575.9914313170183
Energy: 577.7397906691573
Energy: 574.3649374589835
Energy: 575.1230269278079
Energy: 575.8091888099473
Energy: 579.0770407314961
Energy: 574.859749390048
Energy: 579.5368539532657
Energy: 575.8091888099513
Energy: 579.0770407314961
Energy: 574.8597493900464
Energy: 573.7399513880515
Energy: 573.5170234702947
Energy: 574.1877236766605
Energy: 572.7442729124238
Energy: 573.7399513880571
Energy: 573.5170234702994
Energy: 574.1877236766597
Energy: 573.5076913584114
Energy: 579.3995868299774
Energy: 573.6421441923366
Energy: 579.0601584373296
Energy: 573.5076913584162
Energy: 579.3995868299719
Energy: 573.642144192335
Energy: 578.3737574605736
Energy: 575.3925819902075
Energy: 570.9712604563316
Energy: 574.9031283779557
Energy: 578.3737574605759
Energy: 575.3925819902083
Energy: 570.9712604563308
Energy: 573.9110115616159
Energy: 579.0388115108879
Energy: 573.6161485615554
Energy: 579.3683633155281
Energy: 573.9110115616222
Energy: 579.0388115108808
Energy: 573.6161485615554
Energy: 573.743355966498
Energy: 572.7273784714472
Energy: 574.1597940474511
Energy: 573.519840824073
Energy: 573.7433559665066
Energy: 572.7273784714497
Energy: 574.1597940474503
Energy: 575.8281521516701
Energy: 579.0124843402953
Energy: 574.8871385821483
Energy: 579.041314041986
Energy: 575.8281521516742
Energy: 579.0124843402889
Energy: 574.8871385821483
Energy: 576.9233955035191
Energy: 575.9867007327628
Energy: 575.6938128222381
Energy: 574.3485685114281
Energy: 576.9233955035254
Energy: 575.9867007327634
Energy: 575.6938128222374
Energy: 576.6884532646013
Energy: 576.4739883200199
Energy: 576.7314416468682
Energy: 578.9859693418704
Energy: 576.6884532646069
Energy: 576.4739883200199
Energy: 576.7314416468652
Energy: 576.8529017271857
Energy: 578.6566879780952
Energy: 574.138910671713
Energy: 576.3106457580458
Energy: 576.8529017271879
Energy: 578.6566879781022
Energy: 574.1389106717146
Energy: 576.5935581142351
Energy: 576.2328593074134
Energy: 577.6492709651653
Energy: 575.7022055953738
Energy: 576.5935581142398
Energy: 576.2328593074101
Energy: 577.6492709651701
Energy: 577.1876152182336
Energy: 579.228428150606
Energy: 575.2850627998679
Energy: 579.5799324466374
Energy: 577.1876152182399
Energy: 579.2284281506035
Energy: 575.2850627998671
Energy: 575.3441302587131
Energy: 576.3933860731893
Energy: 576.7552270742659
Energy: 574.2638552039742
Energy: 575.3441302587171
Energy: 576.3933860731893
Energy: 576.7552270742738
Energy: 576.3626767040561
Energy: 579.3915044087909
Energy: 576.4246272416831
Energy: 578.6449899897787
Energy: 576.36267670406
Energy: 579.3915044087925
Energy: 576.4246272416823
Energy: 575.8308951028293
Energy: 577.2941689986664
Energy: 578.1349326670529
Energy: 575.7345248506562
Energy: 575.830895102834
Energy: 577.2941689986702
Energy: 578.1349326670529
Energy: 575.8401881373256
Energy: 579.111480927214
Energy: 576.3488916453576
Energy: 579.4041531208293
Energy: 575.8401881373329
Energy: 579.1114809272195
Energy: 576.3488916453599
Energy: 571.3872489929726
Energy: 575.5750183815525
Energy: 576.9190726621148
Energy: 575.6008867660071
Energy: 571.3872489929796
Energy: 575.5750183815525
Energy: 576.9190726621077
Energy: 575.8830689401857
Energy: 578.846072282495
Energy: 576.3839823000593
Energy: 579.1263426919083
Energy: 575.883068940189
Energy: 578.8460722824943
Energy: 576.3839823000584
Energy: 575.1452876587961
Energy: 576.3550799607394
Energy: 575.7117859038992
Energy: 577.3371979426231
Energy: 575.1452876587992
Energy: 576.3550799607394
Energy: 575.7117859038976
Energy: 576.860504825008
Energy: 578.6643091761233
Energy: 576.4147377541393
Energy: 579.3291371467448
Energy: 576.8605048250143
Energy: 578.6643091761177
Energy: 576.4147377541393
Energy: 575.3330218276643
Energy: 574.2613016271945
Energy: 576.0017205794711
Energy: 576.4107056770744
Energy: 575.3330218276714
Energy: 574.2613016271983
Energy: 576.8027503309962
Energy: 577.1886338114814
Energy: 579.558161905673
Energy: 575.312641146263
Energy: 579.38512127099
Energy: 577.1886338114823
Energy: 579.5581619056715
Energy: 575.3126411462645
Energy: 576.5914466046825
Energy: 574.8107764747685
Energy: 576.9251930894421
Energy: 576.203814390265
Energy: 576.5914466046888
Energy: 574.8107764747675
Energy: 576.9251930894444
Energy: 576.8418827194698
Energy: 576.3593190434697
Energy: 574.1796679299439
Energy: 578.6104533627346
Energy: 576.8418827194761
Energy: 576.3593190434697
Energy: 574.1796679299439
Energy: 575.9749496678522
Energy: 579.0217422648872
Energy: 573.403413073676
Energy: 576.4315765768556
Energy: 575.9749496678603
Energy: 579.0217422648848
Energy: 573.4034130736736
Energy: 577.73979066915
Energy: 574.364937458981
Energy: 575.7275782122109
Energy: 575.9914313170192
Energy: 577.7397906691588
Energy: 574.3649374589835
Energy: 575.7275782122109

minimum gb energy = 570.9712604563308 eV
minimum distance =  1.32604761631774 Angstroms
sigma value = 39


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

Energy: 727.5389081653852
Energy: 729.268133191574
Energy: 735.7825222501137
Energy: 729.270888824094
Energy: 727.5389081653927
Energy: 729.2681331915729
Energy: 734.3118499492032
Energy: 726.5239450830148
Energy: 730.1046693385687
Energy: 733.4856951130463
Energy: 730.1346235176691
Energy: 726.523945083026
Energy: 730.1046693385687
Energy: 733.4856951130463
Energy: 727.7454389070474
Energy: 735.1904600954566
Energy: 733.1045585050749
Energy: 731.4174135464899
Energy: 727.745438907055
Energy: 735.1904600954566
Energy: 731.2455426613412
Energy: 726.7874505129753
Energy: 730.0754799158138
Energy: 733.2294408543786
Energy: 728.7882264166774
Energy: 726.7874505129819
Energy: 730.0754799158157
Energy: 733.2294408543805
Energy: 729.6992571229163
Energy: 734.0906325938488
Energy: 733.2062176020031
Energy: 731.4787741217178
Energy: 729.699257122922
Energy: 734.0906325938581
Energy: 732.996516606716
Energy: 726.6770387300771
Energy: 730.0213308759533
Energy: 727.5152139655767
Energy: 729.346762217822
Energy: 726.6770387300837
Energy: 730.0213308759523
Energy: 727.5152139655738
Energy: 733.3778917587696
Energy: 734.0717239319528
Energy: 737.3110881354775
Energy: 733.7990613903423
Energy: 733.377891758775
Energy: 734.071723931949
Energy: 737.3110881354867
Energy: 726.8747932517367
Energy: 731.5810459069908
Energy: 727.4744002432524
Energy: 731.5259901246286
Energy: 726.8747932517424
Energy: 731.5810459069908
Energy: 727.4744002432524
Energy: 733.3794627258375
Energy: 733.8216877101966
Energy: 735.9133565026118
Energy: 734.0722577069056
Energy: 733.3794627258422
Energy: 733.8216877102105
Energy: 734.3948708385318
Energy: 726.6730037475536
Energy: 729.3852836456214
Energy: 727.5098530136845
Energy: 729.9601882717585
Energy: 726.6730037475573
Energy: 729.3852836456214
Energy: 727.5098530136872
Energy: 729.7787818991357
Energy: 731.4851949949882
Energy: 732.5843036128496
Energy: 734.0445405243815
Energy: 729.778781899142
Energy: 731.4851949949834
Energy: 732.0823547372308
Energy: 726.7835349231104
Energy: 728.8271573851407
Energy: 733.2041507807146
Energy: 730.0212196324796
Energy: 726.7835349231151
Energy: 728.8271573851416
Energy: 733.2041507807119
Energy: 727.7493516093888
Energy: 731.4223315543426
Energy: 732.6193087435829
Energy: 735.1402368693451
Energy: 727.7493516093944
Energy: 731.4223315543435
Energy: 731.930054233108
Energy: 726.5193648062072
Energy: 730.1957908692094
Energy: 733.4600296447442
Energy: 730.0588278894805
Energy: 726.5193648062128
Energy: 730.1957908692114
Energy: 733.4600296447414
Energy: 727.538908165387
Energy: 729.2681331915758
Energy: 733.071643289164
Energy: 729.270888824094
Energy: 727.5389081653927
Energy: 729.268133191574
Energy: 733.071643289164
Energy: 726.5239450830168
Energy: 730.1046693385687
Energy: 733.4856951130453
Energy: 730.1346235176691
Energy: 726.5239450830231
Energy: 730.1046693385678
Energy: 733.4856951130463
Energy: 727.7454389070504
Energy: 735.1904600954576
Energy: 731.2455426613355
Energy: 731.4174135464899
Energy: 727.7454389070559
Energy: 735.1904600954556
Energy: 731.2455426613412
Energy: 726.7874505129763
Energy: 730.0754799158157
Energy: 733.2294408543786
Energy: 728.7882264166774
Energy: 726.7874505129819
Energy: 730.0754799158167
Energy: 733.2294408543805
Energy: 729.6992571229192
Energy: 734.090632593847
Energy: 732.9965166067122
Energy: 731.478774121715
Energy: 729.699257122922
Energy: 734.0906325938572
Energy: 732.996516606716
Energy: 726.6770387300753
Energy: 730.0213308759523
Energy: 727.5152139655758
Energy: 729.3467622178209
Energy: 726.6770387300819
Energy: 730.0213308759505
Energy: 727.5152139655729
Energy: 733.3778917587687
Energy: 734.0717239319528
Energy: 735.6544453186121
Energy: 733.7990613903368
Energy: 733.3778917587761
Energy: 734.071723931948
Energy: 735.6544453186234
Energy: 726.8747932517367
Energy: 731.5810459069918
Energy: 727.4744002432533
Energy: 731.5259901246277
Energy: 726.8747932517424
Energy: 731.5810459069908
Energy: 727.4744002432515
Energy: 733.3794627258375
Energy: 733.8216877101984
Energy: 733.8227728206394
Energy: 734.0722577069074
Energy: 733.379462725843
Energy: 733.8216877102105
Energy: 733.8227728206281
Energy: 726.6730037475518
Energy: 729.3852836456214
Energy: 727.5098530136845
Energy: 729.9601882717575
Energy: 726.6730037475573
Energy: 729.3852836456214
Energy: 727.5098530136863
Energy: 729.7787818991364
Energy: 731.4851949949882
Energy: 733.2108961728416
Energy: 734.0445405243834
Energy: 729.778781899143
Energy: 731.4851949949826
Energy: 733.2108961728443
Energy: 726.7835349231095
Energy: 728.8271573851416
Energy: 733.2041507807146
Energy: 730.0212196324796
Energy: 726.7835349231161
Energy: 728.8271573851416
Energy: 733.2041507807128
Energy: 727.7493516093914
Energy: 731.4223315543426
Energy: 731.2295471121954
Energy: 735.1402368693451
Energy: 727.7493516093971
Energy: 731.4223315543426
Energy: 731.2295471121889
Energy: 726.5193648062053
Energy: 730.1957908692114
Energy: 733.4600296447433
Energy: 730.0588278894796
Energy: 726.5193648062128
Energy: 730.1957908692123
Energy: 733.4600296447414
Energy: 727.5389081653889
Energy: 729.268133191574
Energy: 732.0499161175924
Energy: 729.270888824092
Energy: 727.5389081653946
Energy: 729.2681331915729
Energy: 732.0499161175943
Energy: 726.5239450830157
Energy: 730.1046693385687
Energy: 733.4856951130444
Energy: 730.134623517668
Energy: 726.5239450830242
Energy: 730.1046693385687
Energy: 733.4856951130433

minimum gb energy = 726.5193648062053 eV
minimum distance =  1.33060449440858 Angstroms
sigma value = 21


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

Energy: 600.6480230428218
Energy: 601.6418660118727
Energy: 606.1378987730407
Energy: 601.5603560442539
Energy: 600.6480230428275
Energy: 601.641866011875
Energy: 605.6055255988654
Energy: 595.1941004428888
Energy: 602.6670418736875
Energy: 605.8488388300201
Energy: 602.7767914096004
Energy: 595.1941004428948
Energy: 602.6670418736852
Energy: 605.8488388300167
Energy: 600.60556067327
Energy: 605.0779015162973
Energy: 604.8224302509798
Energy: 602.4672001518986
Energy: 600.6055606732734
Energy: 605.0779015162916
Energy: 604.6608355541238
Energy: 597.2091028244822
Energy: 602.6379424909443
Energy: 604.709932148084
Energy: 602.6891441258225
Energy: 597.2091028244868
Energy: 602.6379424909466
Energy: 604.709932148084
Energy: 601.7120332656253
Energy: 605.0634152526594
Energy: 606.2043092882474
Energy: 604.5281804396401
Energy: 601.7120332656343
Energy: 605.0634152526662
Energy: 605.6981382785459
Energy: 597.3263452712763
Energy: 600.3023734326672
Energy: 600.1967502725939
Energy: 603.0338871023683
Energy: 597.3263452712821
Energy: 600.3023734326672
Energy: 600.196750272595
Energy: 600.2936713141676
Energy: 604.7330049448452
Energy: 605.9122304357268
Energy: 604.6847500708371
Energy: 600.2936713141768
Energy: 604.7330049448452
Energy: 605.912230435729
Energy: 599.2368666860622
Energy: 599.5201679233764
Energy: 599.9228907650131
Energy: 603.1232359690475
Energy: 599.2368666860655
Energy: 599.5201679233776
Energy: 599.922890765011
Energy: 600.3019723597487
Energy: 604.818185354319
Energy: 603.9745793196895
Energy: 601.897036211056
Energy: 600.301972359751
Energy: 604.81818535432
Energy: 603.171071227929
Energy: 600.9478476289818
Energy: 601.4265581137435
Energy: 602.9369741518005
Energy: 603.8682910325723
Energy: 600.9478476289851
Energy: 601.4265581137456
Energy: 602.9369741518005
Energy: 600.2780539581554
Energy: 605.4695108508826
Energy: 603.7520820155578
Energy: 605.2772857690924
Energy: 600.2780539581601
Energy: 605.469510850886
Energy: 603.0535311496334
Energy: 604.8042275595615
Energy: 600.9544410121405
Energy: 601.5326307296394
Energy: 602.4818010604081
Energy: 604.8042275595683
Energy: 600.9544410121415
Energy: 601.5326307296394
Energy: 600.1374122258662
Energy: 605.6079114634427
Energy: 604.7922435357185
Energy: 602.7954018324934
Energy: 600.137412225873
Energy: 605.6079114634474
Energy: 604.7922435357196
Energy: 605.4530388536432
Energy: 600.6978171083821
Energy: 600.2491449230678
Energy: 602.2916080383259
Energy: 605.4530388536502
Energy: 600.6978171083831
Energy: 600.2491449230655
Energy: 597.8934345826432
Energy: 606.8915755321375
Energy: 603.3462095536754
Energy: 603.1236873496789
Energy: 597.8934345826476
Energy: 606.8915755321385
Energy: 603.3462095536742
Energy: 605.5832905367248
Energy: 599.5633053791602
Energy: 600.7010498040592
Energy: 599.716489261486
Energy: 605.5832905367294
Energy: 599.5633053791613
Energy: 600.7010498040592
Energy: 597.8436646012623
Energy: 606.5262542804103
Energy: 602.1245268213486
Energy: 602.9841334009352
Energy: 597.8436646012691
Energy: 606.5262542804068
Energy: 602.1245268213464
Energy: 605.6156414495462
Energy: 602.3930294312258
Energy: 600.5155845612037
Energy: 600.5953354515846
Energy: 605.6156414495485
Energy: 602.3930294312247
Energy: 600.5155845612014
Energy: 600.2429025673506
Energy: 606.6756772438373
Energy: 598.3681912227742
Energy: 602.5135391529659
Energy: 600.2429025673529
Energy: 606.6756772438384
Energy: 598.368191222773
Energy: 603.9070553952729
Energy: 602.1030457895095
Energy: 602.1786120301578
Energy: 602.1416538217487
Energy: 603.907055395282
Energy: 602.1030457895117
Energy: 602.1786120301578
Energy: 600.2419805676108
Energy: 602.4660699197419
Energy: 598.3648874797326
Energy: 606.7206280043299
Energy: 600.2419805676153
Energy: 602.4660699197476
Energy: 598.3648874797326
Energy: 605.620981830084
Energy: 600.5787600598725
Energy: 600.5236515361304
Energy: 602.3948978646661
Energy: 605.6209818300907
Energy: 600.5787600598748
Energy: 600.5236515361315
Energy: 597.8423322911528
Energy: 602.9418075020136
Energy: 602.0800444064521
Energy: 606.5747942811241
Energy: 597.8423322911574
Energy: 602.9418075020193
Energy: 602.080044406451
Energy: 605.5875574238639
Energy: 599.7027977790598
Energy: 600.6902822735902
Energy: 599.5688024016769
Energy: 605.5875574238672
Energy: 599.7027977790619
Energy: 600.6902822735892
Energy: 597.8958372755569
Energy: 603.0654803238357
Energy: 605.0463214532982
Energy: 606.9383873908857
Energy: 597.8958372755603
Energy: 603.0654803238401
Energy: 605.0463214533028

minimum gb energy = 595.1941004428888 eV
minimum distance =  1.35784127117806 Angstroms
sigma value = 113


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

Energy: 1077.004817900004
Energy: 1079.6796400936423
Energy: 1082.6598273067063
Energy: 1079.7153507814605
Energy: 1077.0048178999336
Energy: 1079.67964009364
Energy: 1082.4582546745296
Energy: 1080.2126999320712
Energy: 1079.3269678834993
Energy: 1083.4664814164687
Energy: 1079.2681584598822
Energy: 1080.2126999320062
Energy: 1079.3269678834986
Energy: 1083.466481416461
Energy: 1076.9931612420328
Energy: 1080.1992780836242
Energy: 1082.548572416235
Energy: 1080.1235981711088
Energy: 1076.9931612419648
Energy: 1080.1992780836256
Energy: 1082.548572416232
Energy: 1080.9766508739485
Energy: 1079.3214035900207
Energy: 1082.6504622008767
Energy: 1079.4660233313348
Energy: 1080.9766508738896
Energy: 1079.3214035900164
Energy: 1082.6504622008697
Energy: 1078.2954522471248
Energy: 1080.9852391863749
Energy: 1083.2441054904748
Energy: 1080.8248518859684
Energy: 1078.2954522470661
Energy: 1080.9852391863806
Energy: 1083.2441054904793
Energy: 1080.9191003625513
Energy: 1081.0995707863215
Energy: 1080.3100400482756
Energy: 1079.9513234783115
Energy: 1080.9191003624844
Energy: 1081.0995707863178
Energy: 1080.3100400482738
Energy: 1078.4060181461402
Energy: 1080.7943730448276
Energy: 1082.3317704115816
Energy: 1079.710282480144
Energy: 1078.4060181460793
Energy: 1080.7943730448246
Energy: 1082.3317704115764
Energy: 1080.5543056380175
Energy: 1081.2659443230855
Energy: 1080.775165927605
Energy: 1079.8703800543722
Energy: 1080.5543056379618
Energy: 1081.2659443230864
Energy: 1080.7751659276082
Energy: 1078.466520552748
Energy: 1079.8275488361783
Energy: 1081.2285080390138
Energy: 1081.8157813214705
Energy: 1078.4665205526867
Energy: 1079.827548836182
Energy: 1081.3203643728145
Energy: 1080.9417032094889
Energy: 1081.0406297177299
Energy: 1079.8985351918325
Energy: 1080.7640646621128
Energy: 1080.9417032094314
Energy: 1081.0406297177292
Energy: 1079.8985351918334
Energy: 1078.4830076820538
Energy: 1079.3020757535724
Energy: 1081.5851306422915
Energy: 1081.924681363906
Energy: 1078.4830076820003
Energy: 1079.3020757535794
Energy: 1081.5142837574942
Energy: 1080.9564368678664
Energy: 1081.2392833684612
Energy: 1078.6193739713317
Energy: 1081.3601930150905
Energy: 1080.9564368678043
Energy: 1081.239283368458
Energy: 1078.619373971331
Energy: 1078.5987538351067
Energy: 1079.1348932993953
Energy: 1082.075167271153
Energy: 1080.843354650652
Energy: 1078.5987538350462
Energy: 1079.134893299394
Energy: 1082.0751672711576
Energy: 1078.751353872672
Energy: 1079.2619474976302
Energy: 1078.6351953266003
Energy: 1080.6654276936324
Energy: 1078.7513538726146
Energy: 1079.261947497631
Energy: 1078.6351953266014
Energy: 1078.7336771342632
Energy: 1077.7965259763903
Energy: 1080.8278870763022
Energy: 1078.6924289316185
Energy: 1078.7336771342054
Energy: 1077.7965259763935
Energy: 1080.8278870763168
Energy: 1078.4673313449323
Energy: 1081.3624607585389
Energy: 1080.222496279822
Energy: 1081.7294234412027
Energy: 1078.4673313448798
Energy: 1081.362460758543
Energy: 1080.2224962798225
Energy: 1078.9060517370006
Energy: 1078.2885943218998
Energy: 1080.7595020240694
Energy: 1080.4080240450342
Energy: 1078.9060517369453
Energy: 1078.2885943219055
Energy: 1080.7595020240947
Energy: 1080.7615188575771
Energy: 1081.2608162839003
Energy: 1080.6694492053912
Energy: 1081.1752214641833
Energy: 1080.7615188575182
Energy: 1081.2608162838985
Energy: 1080.6694492053923
Energy: 1078.7850889886697
Energy: 1078.4764795529
Energy: 1081.8725777417028
Energy: 1079.388047602426
Energy: 1078.7850889886067
Energy: 1078.4764795528936
Energy: 1081.5857691983117
Energy: 1080.6508185574444
Energy: 1081.4725020288965
Energy: 1079.497274151322
Energy: 1081.8263772466155
Energy: 1080.6508185573855
Energy: 1081.4725020289102
Energy: 1079.4972741513234
Energy: 1078.1333013914114
Energy: 1079.2105048120861
Energy: 1082.512518382176
Energy: 1078.5456557293028
Energy: 1078.1333013913581
Energy: 1079.2105048120904
Energy: 1082.6040828851771
Energy: 1080.6421289338107
Energy: 1079.7592765912125
Energy: 1080.3509540563234
Energy: 1079.9259314403557
Energy: 1080.6421289337509
Energy: 1079.7592765912168
Energy: 1080.3509540563243
Energy: 1078.3106557740132
Energy: 1080.3670503617682
Energy: 1081.8621191907914
Energy: 1079.507903787138
Energy: 1078.3106557739563
Energy: 1080.367050361776
Energy: 1081.665315840309
Energy: 1079.1294816444404
Energy: 1080.648068611137
Energy: 1080.222244233272
Energy: 1080.2839129210035
Energy: 1079.1294816443822
Energy: 1080.6480686111356
Energy: 1080.2222442332736
Energy: 1078.3330361291728
Energy: 1078.8131781994514
Energy: 1082.1141457750934
Energy: 1079.273428916744
Energy: 1078.3330361291085
Energy: 1078.8131781994464
Energy: 1082.713033773765
Energy: 1078.0617412298152
Energy: 1079.6802147196508
Energy: 1079.6284303937857
Energy: 1079.362769576453
Energy: 1078.0617412297552
Energy: 1079.6802147196518
Energy: 1079.6284303937882
Energy: 1077.5851064892638
Energy: 1078.7006077924411
Energy: 1082.4938558965944
Energy: 1079.297328851751
Energy: 1077.5851064892047
Energy: 1078.700607792446
Energy: 1082.4938558965866
Energy: 1078.078830025396
Energy: 1079.2749533958374
Energy: 1080.042911737255
Energy: 1078.9259830384876
Energy: 1078.0788300253366
Energy: 1079.2749533958386
Energy: 1080.042911737255
Energy: 1077.5845571228099
Energy: 1078.6931703894647
Energy: 1081.4123414891567
Energy: 1079.3064316195475
Energy: 1077.5845571227494
Energy: 1078.6931703894732
Energy: 1081.4123414891628
Energy: 1077.976874386484
Energy: 1079.8932067919027
Energy: 1079.8386765051846
Energy: 1079.3485811516462
Energy: 1077.9768743864236
Energy: 1079.8932067919006
Energy: 1079.8386765051846
Energy: 1078.3124379957335
Energy: 1078.6549812905607
Energy: 1079.2499123755852
Energy: 1079.394890018736
Energy: 1078.312437995669
Energy: 1078.6549812905575
Energy: 1079.2499123755842
Energy: 1078.014359128542
Energy: 1080.5688118153837
Energy: 1080.699796175611
Energy: 1079.8551390691737
Energy: 1078.0143591284811
Energy: 1080.5688118153876
Energy: 1080.6997961756156
Energy: 1078.2787409032521
Energy: 1081.0729717989593
Energy: 1079.1240871308707
Energy: 1078.6397251646379
Energy: 1078.2787409031946
Energy: 1081.0729717989636
Energy: 1079.1240871308732
Energy: 1078.3447093928569
Energy: 1080.5669940200453
Energy: 1078.8515828774234
Energy: 1078.4577927469393
Energy: 1078.344709392795
Energy: 1080.5669940200485
Energy: 1078.8515828774223
Energy: 1077.6020516874053
Energy: 1082.3826411446423
Energy: 1080.9447616404864
Energy: 1079.812427908549
Energy: 1077.602051687348
Energy: 1082.3826411446635
Energy: 1080.944761640492
Energy: 1078.3811881291579
Energy: 1078.3179920983969
Energy: 1078.916940140617
Energy: 1080.3513355648565
Energy: 1078.3811881291012
Energy: 1078.3179920983932
Energy: 1078.916940140616
Energy: 1077.8487846927408
Energy: 1081.1816557516731
Energy: 1080.5221410954312
Energy: 1078.7722643310199
Energy: 1077.8487846926744
Energy: 1081.1816557516693
Energy: 1080.5221410954287
Energy: 1075.7853866707655
Energy: 1078.791732518387
Energy: 1080.7955552641024
Energy: 1080.3346046896286
Energy: 1075.7853866707046
Energy: 1078.7917325183917
Energy: 1080.7955552641042
Energy: 1077.8889999695311
Energy: 1080.378630484124
Energy: 1078.536539380051
Energy: 1079.7636381868194
Energy: 1077.8889999694761
Energy: 1080.3786304841287
Energy: 1078.5365393800537
Energy: 1075.8372352286672
Energy: 1077.8001631583318
Energy: 1080.5889612569433
Energy: 1079.4031634011517
Energy: 1075.8372352286112
Energy: 1077.8001631583365
Energy: 1080.5889612569415
Energy: 1077.7573805160732
Energy: 1080.781859313075
Energy: 1078.410920190763
Energy: 1079.8390253432751
Energy: 1077.757380516019
Energy: 1080.7818593130814
Energy: 1078.4109201907647
Energy: 1075.8681851373467
Energy: 1078.2452160099458
Energy: 1078.7929129071547
Energy: 1078.4329245921786
Energy: 1075.86818513729
Energy: 1078.245216009943
Energy: 1078.7929129071542
Energy: 1079.0049971026779
Energy: 1080.5256815938505
Energy: 1080.0692309514345
Energy: 1079.9866780668797
Energy: 1079.0049971026147
Energy: 1080.5256815938471
Energy: 1080.069230951432
Energy: 1075.9174459839078
Energy: 1078.34256286615
Energy: 1078.6584632924528
Energy: 1080.2825208575637
Energy: 1075.9174459838466
Energy: 1078.342562866154
Energy: 1078.6584632924541
Energy: 1080.4783945934746
Energy: 1080.3724171797703
Energy: 1080.6365887563784
Energy: 1079.0709208792389
Energy: 1080.4783945934128
Energy: 1080.3724171797787
Energy: 1080.6365887563845

minimum gb energy = 1075.7853866707046 eV
minimum distance =  1.3269639828138 Angstroms
sigma value = 365


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

Energy: 628.5262686245286
Energy: 632.1503353905516
Energy: 653.5826128495618
Energy: 632.150335390553
Energy: 628.5262686245301
Energy: 632.1503353905501
Energy: 651.8386724263593
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 652.486815306599
Energy: 632.1503353905516
Energy: 628.5262686245301
Energy: 632.1503353905558
Energy: 647.2369684514249
Energy: 628.5262686245286
Energy: 632.1503353905501
Energy: 651.5496202998606
Energy: 632.1503353905558
Energy: 628.5262686245286
Energy: 632.1503353905516
Energy: 648.5108438986309
Energy: 628.5262686245286
Energy: 632.1503353905516
Energy: 652.9529408396048
Energy: 632.1503353905545
Energy: 628.5262686245301
Energy: 632.150335390553
Energy: 651.6702371200964
Energy: 628.5262686245301
Energy: 632.150335390553
Energy: 651.5687474128256
Energy: 632.1503353905545
Energy: 628.5262686245301
Energy: 632.1503353905558
Energy: 647.2240163379075
Energy: 628.5262686245301
Energy: 632.1503353905501
Energy: 650.0035977635001
Energy: 632.1503353905558
Energy: 628.5262686245301
Energy: 632.150335390553
Energy: 647.6437982738087
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 650.757085824363
Energy: 632.150335390553
Energy: 628.5262686245301
Energy: 632.150335390553
Energy: 651.2544082903792
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 649.6515889588951
Energy: 632.150335390553
Energy: 628.5262686245301
Energy: 632.1503353905545
Energy: 647.1724772325219
Energy: 628.5262686245301
Energy: 632.1503353905501
Energy: 648.607593963212
Energy: 632.1503353905558
Energy: 628.5262686245314
Energy: 632.150335390553
Energy: 646.8333489298882
Energy: 628.5262686245286
Energy: 632.150335390553
Energy: 648.4702891988782
Energy: 632.1503353905545
Energy: 628.5262686245314
Energy: 632.1503353905545
Energy: 650.2872124429732
Energy: 628.5262686245314
Energy: 632.1503353905516
Energy: 648.4804529218159
Energy: 632.150335390553
Energy: 628.5262686245314
Energy: 632.1503353905558
Energy: 647.2240163379046
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 646.8988269859688
Energy: 632.1503353905558
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 647.2369684514349
Energy: 628.5262686245271
Energy: 632.1503353905545
Energy: 648.7852724808149
Energy: 632.1503353905545
Energy: 628.5262686245314
Energy: 632.1503353905545
Energy: 648.812042681673
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 647.2369684514349
Energy: 632.150335390553
Energy: 628.5262686245286
Energy: 632.1503353905573
Energy: 647.2369684514364
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 647.2369684514277
Energy: 632.1503353905545
Energy: 628.5262686245286
Energy: 632.1503353905516
Energy: 647.2369684514349
Energy: 628.5262686245271
Energy: 632.150335390553
Energy: 647.2369684514334
Energy: 632.1503353905545
Energy: 628.5262686245301
Energy: 632.1503353905545
Energy: 648.5108438986267
Energy: 628.5262686245301
Energy: 632.150335390553
Energy: 647.2369684514364
Energy: 632.1503353905545
Energy: 628.5262686245286
Energy: 632.1503353905573
Energy: 647.2369684514364
Energy: 628.5262686245286
Energy: 632.1503353905516
Energy: 647.2369684514277
Energy: 632.150335390553
Energy: 628.5262686245286
Energy: 632.1503353905516
Energy: 647.2369684514334
Energy: 628.5262686245271
Energy: 632.150335390553
Energy: 647.2369684514334
Energy: 632.1503353905516
Energy: 628.5262686245301
Energy: 632.1503353905516
Energy: 647.6437982738073
Energy: 628.5262686245286
Energy: 632.150335390553
Energy: 647.2369684514349
Energy: 632.150335390553
Energy: 628.5262686245286
Energy: 632.1503353905545
Energy: 647.2369684514377

minimum gb energy = 628.5262686245271 eV
minimum distance =  1.40669586896151 Angstroms
sigma value = 23