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
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: 690.6387306534568
Energy: 738.8575957741987
Energy: 710.4231996785023
Energy: 695.5897579705995
Energy: 695.1017039141628
Energy: 705.6628787035431
Energy: 701.1284145544199
Energy: 720.9598634245468
Energy: 757.6455444848043
Energy: 693.8301103075848
Energy: 748.1945519245998
Energy: 730.7722161477199
Energy: 698.5009204784009
Energy: 739.8028562110085
Energy: 696.3040910059904
Energy: 757.6543883608865
Energy: 747.7130131380674
Energy: 748.2263175707753
Energy: 721.9879767409684
Energy: 724.3431008859601
Energy: 739.5055707313936
Energy: 690.6391161467632
Energy: 734.3215896529387
Energy: 710.3226447670943
Energy: 696.456034700195
Energy: 695.4765611309339
Energy: 706.3177221784467
Energy: 701.122352383571
Energy: 721.8088601908673
Energy: 760.9161627952653
Energy: 695.0950085310319
Energy: 749.1961974579857
Energy: 730.8897521984522
Energy: 700.1634717463344
Energy: 743.9406836551252
Energy: 690.6395846198665
Energy: 730.3240824024894
Energy: 745.9977139769754
Energy: 749.9064246328012
Energy: 721.696952960508
Energy: 729.5956776502688
Energy: 728.6375638323562

minimum gb energy = 690.6387306534568 eV
minimum distance =  0.787843676170258 Angstroms
sigma value = 5


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

Energy: 1145.5975677704441
Energy: 1167.3960974027245
Energy: 1143.31065284111
Energy: 1146.5289258913238
Energy: 1146.622146580086
Energy: 1143.542919607104
Energy: 1164.3817219893956
Energy: 1170.6699452376201
Energy: 1141.0673532854028
Energy: 1166.4989672778408
Energy: 1172.7448580800126
Energy: 1167.0801873349187
Energy: 1163.0664183999352
Energy: 1140.6893689202716
Energy: 1163.7162817461497
Energy: 1140.444633713055
Energy: 1158.7948054999079
Energy: 1165.6004389905866
Energy: 1169.673192320481
Energy: 1163.54457999785
Energy: 1140.1795961056566
Energy: 1156.8501554150203
Energy: 1147.856697872659
Energy: 1169.981807789211
Energy: 1147.7078610334825
Energy: 1171.3834243751642
Energy: 1169.8082475740673
Energy: 1175.185306880888
Energy: 1162.8036668758095
Energy: 1161.0357720906077
Energy: 1139.0716736818038
Energy: 1139.8905878391502
Energy: 1139.656324259584
Energy: 1139.279380210228
Energy: 1158.2580445030608
Energy: 1167.1688488704453
Energy: 1141.4242801717878
Energy: 1164.1191839307276
Energy: 1140.4790335363614
Energy: 1158.6249280100112
Energy: 1166.485074692884
Energy: 1180.8837528424435
Energy: 1157.2064828953444
Energy: 1140.985685922111
Energy: 1147.4285826010773
Energy: 1148.460949099813
Energy: 1146.6376748051807
Energy: 1146.5401573797224
Energy: 1172.9245160452558
Energy: 1164.5452726120934
Energy: 1140.422665601503
Energy: 1157.093737859785
Energy: 1140.05829123032
Energy: 1139.8523739369632
Energy: 1159.2058973195333
Energy: 1140.673994446465
Energy: 1154.0759668233848
Energy: 1140.6041937602579
Energy: 1166.194288228771
Energy: 1157.2176963780748
Energy: 1165.7813192848578
Energy: 1163.5369878485253
Energy: 1174.1660416472341
Energy: 1149.3603840189487
Energy: 1141.12336803618
Energy: 1164.7057332020436
Energy: 1140.2627130631158
Energy: 1146.938341889997
Energy: 1162.0560249843304
Energy: 1172.3576244116339
Energy: 1157.5225219614679
Energy: 1145.5612821395207
Energy: 1156.868829589991
Energy: 1143.8298416684095
Energy: 1140.0993505504418
Energy: 1139.210325247111
Energy: 1139.7498255179432
Energy: 1158.7537830481253
Energy: 1140.3796428298942
Energy: 1165.2767999226617
Energy: 1160.4606744110076
Energy: 1170.5231050691323
Energy: 1166.6750129557038
Energy: 1139.738244728134
Energy: 1160.483448381408
Energy: 1140.3406823822247
Energy: 1167.523751861363
Energy: 1171.619013888785
Energy: 1170.8916567819438
Energy: 1169.316268462804
Energy: 1140.3481894017232
Energy: 1159.8728709409988
Energy: 1161.8144845998204
Energy: 1139.6327095958325
Energy: 1140.2393263490676
Energy: 1139.0204938075012
Energy: 1139.8252572720191
Energy: 1139.7283474485469
Energy: 1155.572243132736
Energy: 1177.2525276531844
Energy: 1161.8427104816647
Energy: 1153.8676076716501
Energy: 1141.0982724226897
Energy: 1167.8120909214238
Energy: 1140.9051290256386
Energy: 1157.4336159211916
Energy: 1173.243497983107
Energy: 1161.1167660173585
Energy: 1139.6714311807252
Energy: 1140.124516293986
Energy: 1166.8885379825447
Energy: 1171.8171320320068
Energy: 1163.040049536427
Energy: 1140.5384489387052
Energy: 1172.2149465622133
Energy: 1140.1450415470106
Energy: 1139.5624629873596
Energy: 1169.4419729128535
Energy: 1156.1390722275628
Energy: 1155.721071735705
Energy: 1141.218086492365
Energy: 1143.5033257683488
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Energy: 1149.6399600604122
Energy: 1145.804555821476
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Energy: 1162.2638758478313
Energy: 1178.4178728629902
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Energy: 1156.8890195107306
Energy: 1172.1600059025154
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Energy: 1180.3625658967542
Energy: 1138.2113304435618
Energy: 1157.5535571334026
Energy: 1139.4493812805122
Energy: 1140.2352874373646
Energy: 1139.4753770604375
Energy: 1139.3676547890202
Energy: 1152.4599648218361
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Energy: 1140.8729119704099
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Energy: 1140.2778305533616
Energy: 1164.4824716151113
Energy: 1141.0825414560868
Energy: 1162.9112147917122
Energy: 1173.037780650118
Energy: 1163.7566593456636
Energy: 1160.4434589436125
Energy: 1140.1389433286981
Energy: 1146.303468304722
Energy: 1168.4048586722815
Energy: 1143.5880739133288
Energy: 1148.1911197471507
Energy: 1146.1690072575032
Energy: 1143.6713636314837
Energy: 1165.21412914281
Energy: 1166.6263442877716
Energy: 1141.0904060991159
Energy: 1162.6982000801672
Energy: 1170.736600526129
Energy: 1167.9258248303256
Energy: 1168.7770280462412
Energy: 1140.020743457321
Energy: 1166.0132120932387
Energy: 1140.8361512742902
Energy: 1159.006712898454
Energy: 1163.11407523407
Energy: 1139.8794281871976
Energy: 1156.3479757804323
Energy: 1140.3023040967441
Energy: 1162.8631840455491
Energy: 1147.7506447857681
Energy: 1170.0996984940816
Energy: 1147.1462007036025
Energy: 1148.7283740829962
Energy: 1169.9277578527992
Energy: 1148.185002277757
Energy: 1167.2503200487756
Energy: 1176.1757225509623
Energy: 1139.0059611930055
Energy: 1142.9384953465005
Energy: 1142.7508117450814
Energy: 1152.797373810771
Energy: 1176.3302050786644
Energy: 1167.0011434666726
Energy: 1141.8806413021096
Energy: 1138.8170005556412
Energy: 1145.9181932111474
Energy: 1139.8537458470632
Energy: 1158.0652654448877
Energy: 1165.1962365769389
Energy: 1159.3618195954264
Energy: 1147.6383196447546
Energy: 1168.2532259785805
Energy: 1146.4469129698296
Energy: 1146.1377082059703
Energy: 1167.3428794497029
Energy: 1149.4561677787706
Energy: 1166.7999647212616
Energy: 1140.5882147983116
Energy: 1155.7055780361898
Energy: 1144.123326277352
Energy: 1162.7342609561465
Energy: 1161.974727155279
Energy: 1141.164797217754
Energy: 1161.2050301490124
Energy: 1140.6244807089367
Energy: 1162.9334001889683
Energy: 1166.3032330546173
Energy: 1170.8942586276314
Energy: 1162.9837534817736
Energy: 1140.69803790725
Energy: 1150.0548733298663
Energy: 1170.4548006142725
Energy: 1165.7441654226775
Energy: 1140.22350370364
Energy: 1146.0056098990865
Energy: 1143.2414043243261
Energy: 1169.9473328007782
Energy: 1159.6003321502933
Energy: 1141.30515627515
Energy: 1156.9513031704628
Energy: 1144.0950087684055
Energy: 1140.206715096837
Energy: 1156.2910138282055
Energy: 1140.6660746975413
Energy: 1163.6774539284256
Energy: 1144.4020637217247
Energy: 1167.9884183207964
Energy: 1166.0701546062717
Energy: 1158.7292354297526
Energy: 1166.5295648092886
Energy: 1140.30889557157
Energy: 1161.621649321737
Energy: 1139.8851535107526
Energy: 1166.6811124699077
Energy: 1159.5366951037527
Energy: 1154.087921204646
Energy: 1167.8011442515312
Energy: 1172.2996319715726
Energy: 1160.263180137254
Energy: 1161.2651590819899
Energy: 1139.915655014441
Energy: 1140.2097743903275
Energy: 1140.0142959569696
Energy: 1139.6758058219662
Energy: 1139.6268869229275
Energy: 1151.0286564306584
Energy: 1178.34199246697
Energy: 1165.5230104006737
Energy: 1156.9564064556814
Energy: 1170.743361540316
Energy: 1168.2047177053614
Energy: 1140.9514945828307
Energy: 1151.0446560979094
Energy: 1171.7937791336165
Energy: 1143.1572743919055
Energy: 1145.7192770398428
Energy: 1146.542925275895
Energy: 1164.6445966482947
Energy: 1170.7077804590858
Energy: 1163.1635918571924
Energy: 1140.5790348664007
Energy: 1172.5021039283674
Energy: 1140.2187663837476
Energy: 1140.2107899234666
Energy: 1169.7657901702573
Energy: 1155.4246223017208
Energy: 1166.8002230555855
Energy: 1140.9159386147865
Energy: 1161.9279097881322
Energy: 1139.7003546366936
Energy: 1149.4583806088006
Energy: 1164.4914500360924
Energy: 1174.1322653063912
Energy: 1161.0619431076805
Energy: 1141.2376603380067
Energy: 1165.7379696299183
Energy: 1154.563167187334
Energy: 1157.2176025550616
Energy: 1168.8444333128255
Energy: 1179.2583030142825
Energy: 1164.355094471407
Energy: 1161.9101398520866
Energy: 1139.5805388765618
Energy: 1140.3156730655753
Energy: 1139.6166148731434
Energy: 1138.8834308280188
Energy: 1153.205748216671
Energy: 1162.7427507855675
Energy: 1140.2296499892664
Energy: 1170.5805172064117
Energy: 1158.1702816669256
Energy: 1171.5103663896548
Energy: 1171.1893197677161
Energy: 1140.8961010354662
Energy: 1158.9391112292983
Energy: 1140.2089995513807
Energy: 1165.3362560526004
Energy: 1158.6015842848137
Energy: 1159.109215620038
Energy: 1163.2559755716225
Energy: 1140.240651886139
Energy: 1165.4276266865395
Energy: 1140.7993395225128
Energy: 1169.7911109378288
Energy: 1144.2821739929416
Energy: 1140.0873889970871
Energy: 1154.8403678683817
Energy: 1140.4460668625986
Energy: 1138.7283408992187
Energy: 1171.2868117782973
Energy: 1166.084358911368
Energy: 1146.8667308341085
Energy: 1146.5357347746913
Energy: 1139.6619421506132
Energy: 1164.3983813536809

minimum gb energy = 1138.2113304435618 eV
minimum distance =  0.766654522399869 Angstroms
sigma value = 401


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

Energy: 1020.5023282677089
Energy: 1028.4314052907152
Energy: 1004.1667122841311
Energy: 1012.693317895808
Energy: 1012.4173343477199
Energy: 1003.0588943747792
Energy: 1026.261986876617
Energy: 1034.2108228766583
Energy: 1005.897955905325
Energy: 1029.703448432811
Energy: 1037.264705454149
Energy: 1039.0770181075723
Energy: 1035.080956021231
Energy: 1004.7597018813696
Energy: 1026.4657755150788
Energy: 1005.2063827193039
Energy: 1018.4105612848965
Energy: 1012.6584942109912
Energy: 1005.9487810608858
Energy: 1027.410766285445
Energy: 1005.5296631365243
Energy: 1027.2111482745036
Energy: 1018.1515338848483
Energy: 1022.5465885901256
Energy: 1005.4452297394572
Energy: 1017.7952733691411
Energy: 1016.7422380143141
Energy: 1018.033863379356
Energy: 1027.548056494622
Energy: 1025.9579229052085
Energy: 1012.6569622136141
Energy: 1004.1900364277162
Energy: 1004.9711440165736
Energy: 1016.2701146478885
Energy: 1024.2626917322734
Energy: 1022.550057497942
Energy: 1045.1311747363447
Energy: 1003.9184364195231
Energy: 1004.1081737347208
Energy: 1007.8325724630146
Energy: 1004.6882201281646
Energy: 1043.471293840947
Energy: 1003.5622078817582
Energy: 1020.8727069760654
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Energy: 1005.3690162769593
Energy: 1014.0588276917164
Energy: 1016.5081168858701
Energy: 1023.1520655032054
Energy: 1027.8969164178152
Energy: 1005.8406697144871
Energy: 1003.9205073510191
Energy: 1018.0875755610929
Energy: 1019.4835422597013
Energy: 1005.1500199311693
Energy: 1005.7253817007123
Energy: 1026.869990055691
Energy: 1004.8002323671527
Energy: 1031.387768647403
Energy: 1031.734546266355
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Energy: 1021.1045882613645
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Energy: 1029.737632746043
Energy: 1005.3793152365511
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Energy: 1008.3567564389554
Energy: 1003.9195154830763
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Energy: 1011.7092897662588
Energy: 1011.9932193892871
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Energy: 1028.2960968554448
Energy: 1007.3416578083724
Energy: 1023.3793037891597
Energy: 1032.9270577222983
Energy: 1033.686268290261
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Energy: 1028.1908455725043
Energy: 1034.4592111666086
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Energy: 1004.6770128634901
Energy: 1012.2296063077677
Energy: 1013.154085889798
Energy: 1032.5660192366483
Energy: 1003.5704363607517
Energy: 1018.5378120406773
Energy: 1034.773061593237
Energy: 1005.7793617799339
Energy: 1017.7736519281639
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Energy: 1023.7945593638954
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Energy: 1033.081260864013
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Energy: 1004.2874556983711
Energy: 1005.181442558184
Energy: 1017.6423099416882
Energy: 1039.4735140002128
Energy: 1003.3165824976518
Energy: 1020.9288207626249
Energy: 1035.2235903828491
Energy: 1005.561122435547
Energy: 1004.3311093973274
Energy: 1004.9941819436788
Energy: 1023.3482048897416
Energy: 1029.1794419802902
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Energy: 1004.0678432902992
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Energy: 1004.9150573913034
Energy: 1026.5559906991382
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Energy: 1005.330947653205
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Energy: 1033.0103390758331
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Energy: 1004.7963891709926
Energy: 1024.3600683870363
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Energy: 1006.2812001017909
Energy: 1010.7230539703651
Energy: 1002.8224543318145
Energy: 1005.643030063297
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Energy: 1005.193395617246
Energy: 1032.1570304488048
Energy: 1005.1657213707933
Energy: 1004.9686903577596
Energy: 1028.2445972207204
Energy: 1005.0540357369587
Energy: 1027.8772572428613
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Energy: 1028.538132135825
Energy: 1033.0359213280315
Energy: 1026.704591299268
Energy: 1029.026936675537
Energy: 1004.9934147085631
Energy: 1027.1913298430256
Energy: 1005.5859419062562
Energy: 1003.7477078180581
Energy: 1015.9098131824649
Energy: 1013.9275147950788
Energy: 1003.897420281073
Energy: 1004.9746105834633
Energy: 1003.9356554273469
Energy: 1018.414234409869
Energy: 1024.013929111193
Energy: 1024.315217502922
Energy: 1024.5713458473806
Energy: 1023.4697975406577
Energy: 1018.1722966112821
Energy: 1022.5296829517309
Energy: 1043.0087158668346
Energy: 1003.8166069291857
Energy: 1011.9819070104604
Energy: 1004.4680810209103
Energy: 1009.6869703256198
Energy: 1041.5710543397554
Energy: 1028.2072386854857
Energy: 1026.3869337606613
Energy: 1012.4894569365374
Energy: 1004.2041982088675
Energy: 1004.815578161924
Energy: 1016.5399814885749
Energy: 1023.7640735627538
Energy: 1026.7031748286522
Energy: 1022.5304952322133
Energy: 1020.7058440819634
Energy: 1005.5971877211188
Energy: 1014.0065853775897
Energy: 1016.3080689288134
Energy: 1024.826874751956
Energy: 1022.5623470853596
Energy: 1005.6223642910927
Energy: 1026.0043307566204
Energy: 1004.974050420941
Energy: 1004.3225013894822
Energy: 1004.8243413282822
Energy: 1037.8173707386
Energy: 1004.9808611156891
Energy: 1005.5140471727966
Energy: 1032.8210829634459
Energy: 1034.5599169587338
Energy: 1034.2538354373753
Energy: 1033.3335830839067
Energy: 1004.8750860954852
Energy: 1024.2518154758668
Energy: 1006.0601911939945
Energy: 1004.1981330145219
Energy: 1006.0714124529172
Energy: 1011.6240241590613
Energy: 1002.7369103177452
Energy: 1030.4484742461123
Energy: 1027.588555809789
Energy: 1007.6868188196279
Energy: 1031.0163167437547
Energy: 1030.2650971880794
Energy: 1023.3215048461242
Energy: 1029.8399720005768
Energy: 1008.0468355095195
Energy: 1005.3345910340217
Energy: 1007.8521099060921
Energy: 1024.412937516096
Energy: 1005.1023099250987
Energy: 1013.4233044997677
Energy: 1027.913216641571
Energy: 1007.7861213569125
Energy: 1029.6582415997898
Energy: 1005.5842666811717
Energy: 1003.9127528603525
Energy: 1017.0744243508833
Energy: 1021.9091784388636
Energy: 1003.9166564088084
Energy: 1005.6014009745217
Energy: 1026.5257696832261
Energy: 1018.0380371745471
Energy: 1021.0438577838822
Energy: 1023.2326695735827
Energy: 1020.4178609827298
Energy: 1021.0376140437726
Energy: 1017.3970158639456
Energy: 1024.7265796197223
Energy: 1042.8353360352596
Energy: 1004.1704852643519
Energy: 1005.486585744999
Energy: 1013.073086170415
Energy: 1027.0067257415092
Energy: 1041.2898888116356
Energy: 1003.1412586546812
Energy: 1030.2692071921529
Energy: 1011.8028702075644
Energy: 1003.827880425962
Energy: 1005.5295967870131
Energy: 1005.288156968748
Energy: 1022.7248681876648
Energy: 1023.7476534299884
Energy: 1022.8407955400974
Energy: 1021.0250634675579
Energy: 1005.9075945359679
Energy: 1014.8540440829197
Energy: 1017.1898652249754
Energy: 1044.2821754695922
Energy: 1023.4574412564979
Energy: 1020.3028596943074
Energy: 1020.22585506002
Energy: 1005.2605852299752
Energy: 1004.2027210472351
Energy: 1016.5208512789087
Energy: 1023.2631197120152
Energy: 1004.7146243678746
Energy: 1005.5259086276312
Energy: 1033.6006908033155
Energy: 1021.9722828382427
Energy: 1036.1878803876473
Energy: 1034.982333637491
Energy: 1005.4183911909773
Energy: 1022.9479539935206
Energy: 1005.2754311157
Energy: 1003.6831445801613
Energy: 1014.1207788458256
Energy: 1012.2450994759115
Energy: 1009.9929210139505
Energy: 1030.6561185276025
Energy: 1027.4501421199536
Energy: 1010.4964773452363
Energy: 1027.2003438643299
Energy: 1030.7977115099882
Energy: 1033.8332682601826
Energy: 1022.0043845636685
Energy: 1005.3212306540244

minimum gb energy = 1002.7369103177452 eV
minimum distance =  1.39203273657411 Angstroms
sigma value = 311


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

Energy: 617.531565762977
Energy: 593.576440172342
Energy: 584.5353714439267
Energy: 595.2682519197938
Energy: 584.3208779396708
Energy: 584.5940965731925
Energy: 602.0195276433034
Energy: 616.848112107799
Energy: 586.6466519572493
Energy: 615.186661295813
Energy: 613.6580541459399
Energy: 613.7865585751641
Energy: 615.4824634705675
Energy: 627.5898825003417
Energy: 617.3510556388652
Energy: 586.4786260514783
Energy: 614.9881021649884
Energy: 616.4211514997946
Energy: 612.632571117302
Energy: 612.4070725991215
Energy: 586.7976882184782
Energy: 613.1973328318633
Energy: 586.6538438129054
Energy: 614.7008572592307
Energy: 596.5898732457738
Energy: 598.3287323400895
Energy: 584.8115828827297
Energy: 586.8784174953288
Energy: 610.0567650061515
Energy: 587.3074890250688
Energy: 607.3581559416759
Energy: 614.5265633320859
Energy: 615.9315155572925
Energy: 610.255567429679
Energy: 594.5458570129605
Energy: 612.0735541289146
Energy: 632.0759446577487
Energy: 610.0030627887911
Energy: 618.6815542687611
Energy: 617.3312778332187
Energy: 611.7155994029833
Energy: 628.8732254448886
Energy: 616.6360675125068
Energy: 593.7020992719225
Energy: 584.0086464749709
Energy: 593.7705581989777
Energy: 594.9499040755197
Energy: 583.8052473343971
Energy: 598.5721598250323
Energy: 612.0761495314645
Energy: 586.7052356666501
Energy: 612.5750483749058
Energy: 618.5615012017716
Energy: 613.6866328627053
Energy: 612.966162279167
Energy: 586.4306070958057
Energy: 608.0182143331747
Energy: 586.6616711273841
Energy: 616.6597505432547
Energy: 585.3044302236298
Energy: 586.0259333376406
Energy: 615.2502924290643
Energy: 623.2972041093913
Energy: 613.0309285465911
Energy: 586.6949329801067
Energy: 584.0478363725375
Energy: 604.2762483326723
Energy: 605.0344461921588
Energy: 584.2976950993576
Energy: 586.5671239625605
Energy: 602.7612677766319
Energy: 597.5854147095104
Energy: 586.3054852268061
Energy: 616.9051055558808
Energy: 585.8274430709097
Energy: 585.2009782325711
Energy: 620.1311215124439
Energy: 612.9250789633162
Energy: 630.7293763858034
Energy: 612.6959795363008
Energy: 610.8156326893915
Energy: 596.4642501968215
Energy: 609.954277934415
Energy: 587.5784137687165
Energy: 584.8056875046514
Energy: 589.7744217107555
Energy: 583.4702840267709
Energy: 594.2703828151605
Energy: 595.8642859892877
Energy: 583.9652145482344
Energy: 602.7272142035
Energy: 617.1027967450368
Energy: 594.8669445706156
Energy: 618.0618458227806
Energy: 618.6374832025418
Energy: 615.8336474064274
Energy: 619.4673050881065
Energy: 591.7797777301683
Energy: 598.5729826357322
Energy: 586.081847769736
Energy: 584.4312660093057
Energy: 599.4848203509594
Energy: 586.473085220252
Energy: 617.2167961761741
Energy: 586.5742918690796
Energy: 613.302258904623
Energy: 586.4569827483369
Energy: 584.7980084764847
Energy: 606.1595584615314
Energy: 605.1113000650271
Energy: 599.8459589642223
Energy: 586.4655578282411
Energy: 602.672001730978
Energy: 624.1783092645113
Energy: 602.1342226305629
Energy: 585.8601065540064
Energy: 586.3486596104799
Energy: 603.1175474348952
Energy: 619.5135752852118
Energy: 618.5783463135384
Energy: 591.9938404232277
Energy: 620.5298917988434
Energy: 607.3422603329418
Energy: 605.413442142962
Energy: 618.6818284148843
Energy: 613.9820830262038
Energy: 615.0829991074604
Energy: 592.5667220982168
Energy: 584.4755616630333
Energy: 595.1960009409846
Energy: 594.8649999274896
Energy: 584.7556242531448
Energy: 601.0353288189597
Energy: 620.0473945727898
Energy: 587.1187979445444
Energy: 616.3029414365639
Energy: 617.7201947653352
Energy: 618.859974441901
Energy: 617.6421585544438
Energy: 592.1329647282612
Energy: 584.682046943949
Energy: 586.2693792675065
Energy: 584.8776111884708
Energy: 600.925974555201
Energy: 602.572605240318
Energy: 584.3684774266686
Energy: 586.8784032400455
Energy: 611.6435319089763
Energy: 625.5363205778262
Energy: 618.4476222090398
Energy: 605.9829618136979
Energy: 607.4309465854959
Energy: 600.5316769454485
Energy: 609.347333074491
Energy: 604.8338206409616
Energy: 588.1443055025438
Energy: 603.8250017301152
Energy: 615.9113681350331
Energy: 586.0311596335138
Energy: 602.4520280701602
Energy: 619.1712473443085
Energy: 611.5962690471963
Energy: 591.80763548459
Energy: 619.4661892698203
Energy: 605.0921101798855
Energy: 606.261699362964
Energy: 621.4461838283738
Energy: 609.4208665374714
Energy: 584.2346371532501
Energy: 592.1679537105975
Energy: 584.8667843522614
Energy: 586.2747029699658
Energy: 600.9385374553392
Energy: 584.7122537125574
Energy: 604.9437614867041
Energy: 618.8322091870831
Energy: 587.530721348737
Energy: 619.4525370863655
Energy: 620.4161273626721
Energy: 617.6318702900824
Energy: 616.4994763384755
Energy: 591.0341650136498
Energy: 589.264066461149
Energy: 624.3420108334005
Energy: 588.6787032398902
Energy: 603.5044138252765
Energy: 600.5163295378535
Energy: 592.9462858584341
Energy: 586.9279321413907
Energy: 612.288443587127
Energy: 627.8367545950939
Energy: 593.6702862777117
Energy: 605.7108012084631
Energy: 605.1037052940302
Energy: 598.7255678863427
Energy: 611.1322390436127
Energy: 603.2741950151294
Energy: 602.6962328193015
Energy: 605.0517055775439
Energy: 617.754459261777
Energy: 585.638450574185
Energy: 607.1595621893651
Energy: 595.4233343805097
Energy: 615.3612833706503
Energy: 590.167836440494
Energy: 584.8329158752379
Energy: 594.9972414240178
Energy: 605.1230151155041
Energy: 598.1892257216276
Energy: 587.6519687756622
Energy: 612.3536789770459
Energy: 588.5714305340872
Energy: 617.4518722017023
Energy: 599.2648578248479
Energy: 604.8198741229362
Energy: 618.2957720254433
Energy: 587.1571881713032
Energy: 606.7235964885703
Energy: 586.9184827466064
Energy: 612.095712882749
Energy: 617.626614533054
Energy: 618.9716081934755
Energy: 613.3105924555731
Energy: 591.9033936967442
Energy: 590.0601934784423
Energy: 586.7137208472877
Energy: 592.6003175702807
Energy: 603.1445482034585
Energy: 602.843846169845
Energy: 591.7110089967357
Energy: 587.1045138686462
Energy: 610.5444469313643
Energy: 627.9144637287325
Energy: 611.3351924777502
Energy: 605.512827721889
Energy: 604.6001917892034
Energy: 584.5825301954612
Energy: 586.4728596549596
Energy: 612.9836613433059
Energy: 604.8416610853266
Energy: 601.2940778679028
Energy: 585.9694390240487
Energy: 586.0141284892712
Energy: 616.7711029465509
Energy: 594.9635391103707
Energy: 615.8223592081455
Energy: 592.7065399468519
Energy: 584.2381053965188
Energy: 595.6314979472988
Energy: 595.549179424839
Energy: 584.777792631115
Energy: 586.9551746059576

minimum gb energy = 583.4702840267709 eV
minimum distance =  1.40927354696134 Angstroms
sigma value = 39


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

Energy: 739.6142416900766
Energy: 756.3200727831193
Energy: 741.0028922244688
Energy: 740.4130062367473
Energy: 740.1286035853374
Energy: 739.981730828979
Energy: 741.091282834135
Energy: 765.4050135368157
Energy: 782.2665526214831
Energy: 768.6623349959495
Energy: 758.7346926956958
Energy: 761.4489864436415
Energy: 777.4118627970589
Energy: 773.3623797648152
Energy: 776.2414676133398
Energy: 781.3363338094657
Energy: 740.932041559522
Energy: 738.6797045001463
Energy: 741.7010626095322
Energy: 742.2629307810822
Energy: 776.0823108639416
Energy: 737.4721343913703
Energy: 741.5396320704838
Energy: 776.9042102882057
Energy: 781.3597883452543
Energy: 765.2780786351382
Energy: 768.2647574340185
Energy: 774.7960780788613
Energy: 742.0648054431422
Energy: 742.2144106206572
Energy: 758.175284740653
Energy: 740.3709497967753
Energy: 769.7302877736834
Energy: 767.228982417688
Energy: 741.8854245514792
Energy: 757.5658013002937
Energy: 781.470315482187
Energy: 768.7352441076699
Energy: 760.0500407073017
Energy: 760.3592579640682
Energy: 758.0968111319164
Energy: 780.9598573363435
Energy: 756.3369003667561
Energy: 768.4876952311462
Energy: 741.578752000726
Energy: 741.2810226886438
Energy: 740.2713899063516
Energy: 740.5084696401844
Energy: 773.0708997690765
Energy: 740.3845916702157
Energy: 754.3900618756186
Energy: 773.6235489806201
Energy: 787.7102474603226
Energy: 772.1946640012425
Energy: 769.7293335941787
Energy: 750.7482380208119
Energy: 740.5481516874956
Energy: 753.8967571376318
Energy: 769.6484930883661
Energy: 781.219729325663
Energy: 779.7892741230787
Energy: 768.7631460056733
Energy: 750.5434721600955
Energy: 766.831007452264
Energy: 769.3162350985695
Energy: 766.8206738704705
Energy: 739.3519413001957
Energy: 741.9067323143913
Energy: 741.2655555118706
Energy: 741.8221582639777
Energy: 756.2666617689063
Energy: 781.7452759441
Energy: 750.8991620907749
Energy: 751.5243474576147
Energy: 750.0264022245292
Energy: 750.9297985929488
Energy: 780.9740503312513
Energy: 763.4566359464482
Energy: 741.0049642803931
Energy: 769.0885264956777
Energy: 741.7877121490778
Energy: 768.319058789023
Energy: 766.2988125622226
Energy: 782.5532001888374
Energy: 739.5595996142954
Energy: 741.9705752942153
Energy: 767.0747261218717
Energy: 741.1640773062177
Energy: 777.5793443331538
Energy: 773.6404422953799
Energy: 741.9830331038463
Energy: 746.6220288854868
Energy: 778.1972968085493
Energy: 777.2444542648919
Energy: 741.0321513788198
Energy: 740.695892883473
Energy: 739.9515654572397
Energy: 775.6155447388123
Energy: 755.2273158853466
Energy: 786.785068168928
Energy: 774.6468706127962
Energy: 759.6149057067405
Energy: 752.4672103481769
Energy: 751.9105274091905
Energy: 779.8685099438288
Energy: 738.4352349480017
Energy: 756.2716743536774
Energy: 741.3130975899776
Energy: 740.3473402555403
Energy: 740.1669006284983
Energy: 739.9666322347749
Energy: 741.1706389326496
Energy: 765.3965493294652
Energy: 778.0892536338677
Energy: 768.6215788519557
Energy: 740.0837529106508
Energy: 761.2799086797064
Energy: 777.4695838692
Energy: 773.167320386971
Energy: 775.9023368911983
Energy: 781.1482631730461
Energy: 740.5199377391617
Energy: 738.7997107971426
Energy: 741.5121799817672
Energy: 742.557144444537
Energy: 776.3040391344595
Energy: 737.2460723195809
Energy: 741.5104701816966
Energy: 777.525724027795
Energy: 781.8856029942025
Energy: 765.7228156883637
Energy: 768.8121767203799
Energy: 774.6072746948362
Energy: 740.7605012403702
Energy: 742.2830944777985
Energy: 758.5981814854775
Energy: 740.4635223673897
Energy: 741.0397647521112
Energy: 767.9553484090077
Energy: 741.8128599701729
Energy: 757.6665968837434
Energy: 781.3213332708362
Energy: 750.3789563820745
Energy: 762.0806453242508
Energy: 759.8498799229887
Energy: 769.0166734985895
Energy: 780.7922938573181
Energy: 756.1367426992907
Energy: 774.7707302446989
Energy: 741.6456098373116
Energy: 741.2839677682547
Energy: 740.5974784215451
Energy: 740.8105745492381
Energy: 779.8328020449949
Energy: 740.2087010089988
Energy: 754.3586580984278
Energy: 773.9092399406202
Energy: 787.9785610701875
Energy: 772.54708053345
Energy: 770.2570590518224
Energy: 751.0751794543679
Energy: 761.0692923706213
Energy: 753.9005011640226
Energy: 769.4994732799114
Energy: 780.6441185568532
Energy: 779.6456543828209
Energy: 768.5449538825637
Energy: 750.4814449309574
Energy: 766.6807363671029
Energy: 769.3326917882845
Energy: 767.0231313351254
Energy: 739.293296769486
Energy: 741.8515985446476
Energy: 741.2930695452336
Energy: 741.8918409981496
Energy: 757.6080975609134
Energy: 781.9876737819166
Energy: 771.8426455216268
Energy: 751.9193399777307
Energy: 750.3329150632975
Energy: 739.8518246920614
Energy: 781.2139651792044
Energy: 770.8392893348612
Energy: 740.9239577245753
Energy: 768.451289677498
Energy: 742.060733777923
Energy: 768.3854960766793
Energy: 765.9875887691771
Energy: 742.0362962732379
Energy: 739.8073523255053
Energy: 742.2491959605161
Energy: 766.6340124556313
Energy: 740.8252788066897
Energy: 777.0773911549014
Energy: 773.1885815337049
Energy: 741.9558994070587
Energy: 746.6009580868887
Energy: 778.0403653352038
Energy: 776.9508011732348
Energy: 740.9131281500095
Energy: 739.6987247294198
Energy: 740.9653540753573
Energy: 775.4080956820458
Energy: 755.1761606401884
Energy: 786.7212109816818
Energy: 774.4834313517144
Energy: 769.1722994513221
Energy: 751.2839320862578
Energy: 740.6567852488507
Energy: 780.4277080260223

minimum gb energy = 737.2460723195809 eV
minimum distance =  0.846015331465634 Angstroms
sigma value = 21


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

Energy: 624.4801171595232
Energy: 643.2608954729857
Energy: 610.8099302755763
Energy: 617.9750294726236
Energy: 611.3185517058604
Energy: 610.4716597031017
Energy: 637.4293135229493
Energy: 616.5736136681734
Energy: 638.6901523983496
Energy: 639.1610188050373
Energy: 637.8503460185793
Energy: 647.1704767140191
Energy: 644.1191870349923
Energy: 634.1269110220705
Energy: 624.2781348022519
Energy: 631.8269200960434
Energy: 637.5349386743069
Energy: 611.6761741928397
Energy: 612.9370639672366
Energy: 644.2741578943464
Energy: 625.105570478684
Energy: 644.023671025072
Energy: 612.2366741431616
Energy: 611.7632737262775
Energy: 620.680328998317
Energy: 617.477057412274
Energy: 610.9694998616376
Energy: 649.5511062088876
Energy: 619.4921294458788
Energy: 612.0557089083343
Energy: 642.2755394295626
Energy: 613.3168583193731
Energy: 646.5878001049374
Energy: 638.7927055250811
Energy: 613.1021198896251
Energy: 610.456875733639
Energy: 612.4117979858789
Energy: 640.4188527606351
Energy: 638.1486907250895
Energy: 643.33840892727
Energy: 641.9843055981634
Energy: 617.8801474263447
Energy: 644.0974127802327
Energy: 650.9928539515751
Energy: 611.016799052561
Energy: 624.8960682697777
Energy: 610.7684089643739
Energy: 610.4398535175291
Energy: 646.5547628669622
Energy: 623.1435711584552
Energy: 613.3635774098636
Energy: 637.8005218743762
Energy: 640.660044072931
Energy: 642.2135885129603
Energy: 643.2318950547296
Energy: 626.317734549858
Energy: 611.1242765283534
Energy: 627.4107702641011
Energy: 643.3938276562269
Energy: 644.4746093287606
Energy: 642.9292396509487
Energy: 643.4970220219385
Energy: 625.7343824661075
Energy: 631.9056103661204
Energy: 642.2088811588885
Energy: 610.1722592582989
Energy: 616.4833724662313
Energy: 611.2771515492478
Energy: 610.8001998793308
Energy: 645.4012039138863
Energy: 637.2811928667268
Energy: 612.8315918599201
Energy: 639.9886912281532
Energy: 636.3630346448077
Energy: 611.8353968109034
Energy: 639.7625073800267
Energy: 613.1082868808252
Energy: 610.9470039206299
Energy: 631.8338644340968
Energy: 643.7275172074959
Energy: 646.2242261808557
Energy: 641.8460754968812
Energy: 639.6445759004428
Energy: 631.7808945844762
Energy: 633.5860915533103
Energy: 650.2481326835149
Energy: 642.1212024001691
Energy: 620.3774734657884
Energy: 620.130563584689
Energy: 611.265731417014
Energy: 641.8805594594974
Energy: 640.0164606866798
Energy: 654.3711519199154
Energy: 641.5785724629094
Energy: 640.9917011430468
Energy: 612.1573520778655
Energy: 641.116581125914
Energy: 650.0713743317714
Energy: 611.5305418955538
Energy: 632.076902220601
Energy: 609.9802514505576
Energy: 611.4262398871814
Energy: 613.0698141501821
Energy: 619.7581438225102
Energy: 627.1382526986758
Energy: 644.3770949989735
Energy: 650.7320207914249
Energy: 639.961405100338
Energy: 626.0994879424644
Energy: 612.2909393571554
Energy: 617.2947971303836
Energy: 650.2813363813866
Energy: 640.8696641108688
Energy: 611.9814505652961
Energy: 611.4768600734662
Energy: 613.5926322754804
Energy: 623.9429951451388
Energy: 634.2099275561234
Energy: 612.4438710777483
Energy: 611.265432811848
Energy: 612.3053152323948
Energy: 643.3688902816775
Energy: 645.9518467756528
Energy: 647.3011344879138
Energy: 645.5867178928506
Energy: 618.0282187350764
Energy: 632.0800846414594
Energy: 649.575363109397
Energy: 623.255466204395
Energy: 619.6713644569525
Energy: 611.0687199427111
Energy: 610.7368507730399
Energy: 643.8419906829546
Energy: 631.7402619522954
Energy: 653.2450464656188
Energy: 637.9923051236277
Energy: 612.1416321794529
Energy: 612.142136256773
Energy: 613.2321788065226
Energy: 647.517405089443
Energy: 610.358955714498
Energy: 625.6554479014857
Energy: 644.0421179723986
Energy: 645.0912749742627
Energy: 642.6191809880519
Energy: 644.267568892439
Energy: 625.065183178922
Energy: 641.3879026388303
Energy: 645.709163365749
Energy: 610.0259113497663
Energy: 617.2220420714513
Energy: 625.0666568215989
Energy: 610.84478635183
Energy: 650.2573074296929
Energy: 644.3089056926489
Energy: 651.74289144564
Energy: 640.8620260397938
Energy: 625.5863738716888
Energy: 623.7342362383797
Energy: 643.3622242559425
Energy: 651.5830000319587
Energy: 610.9374544614795
Energy: 632.1725298620987
Energy: 611.8265363720825
Energy: 612.5192326716159
Energy: 619.5356943532221
Energy: 618.1703364026187
Energy: 631.2011276982894
Energy: 639.8942550567568
Energy: 655.0805220133508
Energy: 644.8996700755546
Energy: 631.0680747160986
Energy: 624.9477865091432
Energy: 641.5605973359969
Energy: 652.1670580875244

minimum gb energy = 609.9802514505576 eV
minimum distance =  0.731167216757302 Angstroms
sigma value = 113


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

Energy: 1087.6081995569878
Energy: 1119.4123598734757
Energy: 1087.9385423921601
Energy: 1088.369823950855
Energy: 1095.782231914071
Energy: 1092.4650111964106
Energy: 1116.8315909665105
Energy: 1117.2460449184994
Energy: 1128.815029114882
Energy: 1115.832509533168
Energy: 1119.04962178692
Energy: 1122.960244426376
Energy: 1118.4168837638408
Energy: 1098.077005683016
Energy: 1116.753833559627
Energy: 1097.2501021482558
Energy: 1087.9017225273406
Energy: 1092.778028531853
Energy: 1089.3239682685196
Energy: 1103.4409344283781
Energy: 1097.8011889423544
Energy: 1116.7261363695459
Energy: 1101.7028928656207
Energy: 1088.5543386346935
Energy: 1089.2638910364185
Energy: 1095.175318875786
Energy: 1091.5336108162778
Energy: 1090.550126855714
Energy: 1107.102860923334
Energy: 1089.1768891311633
Energy: 1116.4912391819898
Energy: 1109.9287109124032
Energy: 1117.9365144194144
Energy: 1113.64711831062
Energy: 1089.6960908930166
Energy: 1087.4593949161604
Energy: 1089.385204008788
Energy: 1088.295122287241
Energy: 1092.9410169401958
Energy: 1088.048802365316
Energy: 1087.8014671019212
Energy: 1088.9795970173482
Energy: 1115.196950015647
Energy: 1089.7400718289348
Energy: 1117.0422182067286
Energy: 1088.4578813750604
Energy: 1104.8001430374977
Energy: 1106.8759473144146
Energy: 1089.138626131795
Energy: 1115.7639990450052
Energy: 1089.370810632446
Energy: 1115.4310133285444
Energy: 1088.6049057672199
Energy: 1089.0146195318255
Energy: 1118.391449981247
Energy: 1089.1915369338628
Energy: 1093.2499098112166
Energy: 1088.7090270410285
Energy: 1113.195490320213
Energy: 1089.673574027736
Energy: 1087.6891995676237
Energy: 1107.173947273194
Energy: 1089.3891966733743
Energy: 1107.5623925646737
Energy: 1088.189404182415
Energy: 1114.767876814095
Energy: 1104.974398409763
Energy: 1113.9902649344044
Energy: 1116.300019062795
Energy: 1088.9553811016347
Energy: 1102.3563330903494
Energy: 1089.238259750937
Energy: 1116.884092255979
Energy: 1089.533085942609
Energy: 1089.3055017566562
Energy: 1112.3751195814596
Energy: 1089.219843411442
Energy: 1117.2831913379769
Energy: 1088.9728371657231
Energy: 1113.0629492774722
Energy: 1088.8585881264157
Energy: 1088.5389782670823
Energy: 1113.531948222717
Energy: 1088.7548229552467
Energy: 1101.6460162254964
Energy: 1089.7093910128228
Energy: 1088.391189489431
Energy: 1099.3357976265593
Energy: 1089.2435717469014
Energy: 1088.6413754089272
Energy: 1089.3970456861002
Energy: 1105.7305175155839
Energy: 1088.793260835115
Energy: 1118.818276899315
Energy: 1104.4703659902307
Energy: 1110.1429514060712
Energy: 1115.7553347479727
Energy: 1088.9639106769225
Energy: 1087.735057042938
Energy: 1089.102542237697
Energy: 1087.844304721902
Energy: 1092.6933488799773
Energy: 1087.654129998266
Energy: 1108.743392444626
Energy: 1089.2715155375952
Energy: 1107.5266783765853
Energy: 1088.857994124226
Energy: 1117.5497408068074
Energy: 1109.9797412486998
Energy: 1109.4614440813148
Energy: 1114.9715813943371
Energy: 1088.8994486947752
Energy: 1115.1619071844102
Energy: 1089.9829442516573
Energy: 1088.7813368969553
Energy: 1089.0368029252131
Energy: 1088.918114901171
Energy: 1095.618461508495
Energy: 1089.751374251816
Energy: 1087.2319649583528
Energy: 1097.8430953376005
Energy: 1088.66902569355
Energy: 1089.0130669764153
Energy: 1088.3603879075624
Energy: 1088.1954396695155
Energy: 1096.6821161895828
Energy: 1114.8938014266425
Energy: 1089.528019190057
Energy: 1113.7718098201483
Energy: 1115.424938170774
Energy: 1121.6671739899007
Energy: 1118.3314461520042
Energy: 1089.8935971344636
Energy: 1088.6852348787845
Energy: 1105.805997592739
Energy: 1092.2876707272792
Energy: 1088.7284538194735
Energy: 1088.7992812306368
Energy: 1092.298477123019
Energy: 1090.3992507878304
Energy: 1117.0137231890715
Energy: 1097.7840202334655
Energy: 1111.7062128627708
Energy: 1089.0929039244902
Energy: 1089.161111514938
Energy: 1112.696975733308
Energy: 1097.3466880284625
Energy: 1117.3556888008645
Energy: 1100.2077176253392
Energy: 1114.7486229589235
Energy: 1124.1620296560172
Energy: 1099.410978158212
Energy: 1112.6406100781974
Energy: 1096.0113484568367
Energy: 1087.8667147249369
Energy: 1120.1331430517914
Energy: 1092.7385347626262
Energy: 1088.6387076104224
Energy: 1088.1872757507504
Energy: 1092.527896483948
Energy: 1104.40901738081
Energy: 1113.3222042436055
Energy: 1101.215621344744
Energy: 1112.8015457669624
Energy: 1122.7554187836677
Energy: 1122.3985568131131
Energy: 1118.5426349081868
Energy: 1090.0172387683313
Energy: 1111.8323252539221
Energy: 1114.379967706027
Energy: 1087.713226559915
Energy: 1092.2988770011318
Energy: 1088.7324707590608
Energy: 1088.3146943971217
Energy: 1097.3835880876632
Energy: 1115.6624825416004
Energy: 1089.8554180259955
Energy: 1088.5711518335333
Energy: 1088.9251618428127
Energy: 1088.574737520498
Energy: 1087.8300754636998
Energy: 1124.852185338217
Energy: 1110.312873920952
Energy: 1089.5532977795392
Energy: 1116.7566592433172
Energy: 1110.0736485764642
Energy: 1114.5171666787414
Energy: 1113.8445507333636
Energy: 1089.712604562676
Energy: 1087.4253215019965
Energy: 1089.4079245196585
Energy: 1088.3767958465905
Energy: 1092.9131920003963
Energy: 1088.096001161926
Energy: 1087.8888249557917
Energy: 1088.9677484313504
Energy: 1108.9515857720241
Energy: 1089.6752099561954
Energy: 1116.607538651341
Energy: 1109.5406527341456
Energy: 1105.3467827493307
Energy: 1118.4743914568157
Energy: 1088.6138610524188
Energy: 1088.6978837244244
Energy: 1089.50803130326
Energy: 1112.3847090426511
Energy: 1088.7710085175588
Energy: 1088.8105881126824
Energy: 1115.3209337095525
Energy: 1089.5291048410447
Energy: 1093.5740589319814
Energy: 1088.6129973101185
Energy: 1116.3369437125516
Energy: 1089.5266566504479
Energy: 1087.9517085244765
Energy: 1111.5354889181708
Energy: 1089.0518489332585
Energy: 1111.5157230581985
Energy: 1088.826948021487
Energy: 1114.4238155059286
Energy: 1089.3710575043915
Energy: 1118.3953465524255
Energy: 1112.9762582164235
Energy: 1089.349542954485
Energy: 1108.450710192161
Energy: 1088.708336670798
Energy: 1116.7125240904386
Energy: 1089.5201347529762
Energy: 1089.192926178406
Energy: 1115.6266919412526
Energy: 1089.4423997429417
Energy: 1116.183620183031
Energy: 1089.1053343291373
Energy: 1111.8956711977482
Energy: 1096.5511279399402
Energy: 1087.700346934754
Energy: 1112.9118894917863
Energy: 1089.028214758926
Energy: 1114.435725902221
Energy: 1088.917406744496
Energy: 1112.346137521079
Energy: 1089.1099884559792
Energy: 1089.1413953700821
Energy: 1118.3759074458942
Energy: 1089.3086182116785
Energy: 1107.1873331109382
Energy: 1088.8673031407384
Energy: 1119.4306897267704
Energy: 1104.0674786466177
Energy: 1107.979965668883
Energy: 1116.3651312023992
Energy: 1088.8124253524945
Energy: 1087.9183107659749
Energy: 1089.1383784916407
Energy: 1087.889636708864
Energy: 1092.697017152212
Energy: 1087.6538176045135
Energy: 1087.9826132405074
Energy: 1089.407537432373
Energy: 1107.0776767580471
Energy: 1089.2501152845796
Energy: 1117.15173925053
Energy: 1113.6633908667764
Energy: 1113.006962828251
Energy: 1114.72273206913
Energy: 1089.0155112823443
Energy: 1115.4340345362398
Energy: 1089.799489438775
Energy: 1088.1463958330983
Energy: 1089.2191032625744
Energy: 1088.7501338030538
Energy: 1087.8529944249292
Energy: 1089.9131199910555
Energy: 1107.445013495996
Energy: 1097.5705979744205
Energy: 1088.7062230314484
Energy: 1088.9839398516428
Energy: 1092.3987887699263
Energy: 1088.0715793825523
Energy: 1097.3165944989587
Energy: 1114.7813394330683
Energy: 1097.141691231307
Energy: 1114.0756633326105
Energy: 1103.6578183074246
Energy: 1121.6804769905968
Energy: 1118.795307556663
Energy: 1097.8325728208886
Energy: 1088.4854919630761
Energy: 1106.27066597468
Energy: 1092.0159924380475
Energy: 1088.177670332406
Energy: 1088.406846343336
Energy: 1092.492881512142
Energy: 1090.4283172979046
Energy: 1116.3395526434813
Energy: 1128.0950061392991
Energy: 1113.8217007349322
Energy: 1103.0045195409466
Energy: 1099.8055395015758
Energy: 1112.3112510691492
Energy: 1095.7201076112394
Energy: 1118.4251881321122
Energy: 1101.775650250958
Energy: 1115.1807722110282
Energy: 1089.5602707382643
Energy: 1103.5814817426722
Energy: 1112.9539187410355
Energy: 1098.1181821098826
Energy: 1087.8243110688493
Energy: 1108.5028872349235
Energy: 1088.5185091314304
Energy: 1088.7696633134935
Energy: 1095.405652073232
Energy: 1092.3578081253313
Energy: 1105.5371164965813

minimum gb energy = 1087.2319649583528 eV
minimum distance =  0.831442434104108 Angstroms
sigma value = 365


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

Energy: 650.7981044769376
Energy: 695.9467716855592
Energy: 650.9551445177237
Energy: 652.8554637058614
Energy: 653.3173785192209
Energy: 651.354370183696
Energy: 676.2721078401611
Energy: 701.233282955218
Energy: 697.2340582958714
Energy: 702.0620599190987
Energy: 709.7605864623629
Energy: 711.4009150921966
Energy: 701.9362389308218
Energy: 689.1281677664088
Energy: 709.5877509424721
Energy: 689.2124925531994
Energy: 715.8209987084842
Energy: 654.0110952504671
Energy: 653.6045785162518
Energy: 716.157251375439
Energy: 654.2114076491957
Energy: 651.1264303782535
Energy: 695.0299711324717
Energy: 651.8223374837235
Energy: 653.5140321968357
Energy: 653.1991683461987
Energy: 652.0033053199179
Energy: 653.4934870011878
Energy: 684.4883728980913
Energy: 687.9227329118631
Energy: 685.0502481775518
Energy: 686.0603657802168
Energy: 704.9432144816377
Energy: 684.7828329096433
Energy: 684.888102461832
Energy: 732.1806110249985
Energy: 696.7935821595879
Energy: 651.4509731731665
Energy: 653.4573761296435
Energy: 653.4268274032033
Energy: 652.2790840306237
Energy: 675.5219725032669
Energy: 705.27612342123
Energy: 703.290215283955
Energy: 705.7186612754283
Energy: 654.4050986087898
Energy: 714.0579879160723
Energy: 705.7726206071076
Energy: 703.2814045994529
Energy: 708.8873590753802
Energy: 689.7004399335739
Energy: 708.6945298970753
Energy: 653.976326315666
Energy: 653.7769039205248
Energy: 709.5009124959153
Energy: 703.3299353051555
Energy: 731.390892781254
Energy: 696.7513486042834
Energy: 651.7248653085046
Energy: 654.6782257784379
Energy: 653.1925510693258
Energy: 651.9492829826062
Energy: 678.898733191163
Energy: 684.2079725166143
Energy: 688.486558266947
Energy: 684.4406814257322
Energy: 685.5565106707018
Energy: 722.6616129142485
Energy: 685.028035796029
Energy: 683.8322723491868
Energy: 651.1432491610232
Energy: 697.0064507198513
Energy: 651.37024865498
Energy: 653.2600386775724
Energy: 652.9274614772532
Energy: 651.8361137144551
Energy: 678.5100447947196
Energy: 711.4146110994983
Energy: 689.394428435807
Energy: 711.2480686296038
Energy: 653.7460325804717
Energy: 653.6828319946613
Energy: 711.3198282743822
Energy: 678.8655263735845
Energy: 703.5744062390014
Energy: 702.4271863743743
Energy: 703.7048621963822
Energy: 714.6266698405641
Energy: 710.4781816485118
Energy: 704.9296428439094
Energy: 703.8677744473713
Energy: 732.0829177593808
Energy: 696.6247249425454
Energy: 651.5625959949185
Energy: 653.0173862118443
Energy: 653.129363456385
Energy: 651.9782365013325
Energy: 677.7495968441178
Energy: 684.8317928024788
Energy: 698.3781378432352
Energy: 684.6985520902124
Energy: 708.9491718435743
Energy: 710.172268794926
Energy: 700.2330166453029
Energy: 686.2655136225109
Energy: 651.0966820845672
Energy: 692.2391501424471
Energy: 652.6777083200521
Energy: 653.5130992205826
Energy: 653.1665389830148
Energy: 652.245607238907
Energy: 653.6845910243302
Energy: 711.4614816479487
Energy: 692.468955086436
Energy: 715.5281684433443
Energy: 653.4387523474056
Energy: 653.4365716201355
Energy: 652.4147695633364
Energy: 654.9632065951947
Energy: 685.170588387985
Energy: 697.9181112090636
Energy: 700.3781042408096
Energy: 714.6008886603053
Energy: 706.7854746084827
Energy: 702.0089294954013
Energy: 687.4001691144092
Energy: 732.0384454147618
Energy: 696.399307555554
Energy: 651.1780769982066
Energy: 653.1972776959368
Energy: 653.3314783825938
Energy: 651.5084335560024
Energy: 675.28007154639
Energy: 702.5029793585904
Energy: 700.9649828163047
Energy: 703.212761322459
Energy: 710.3833420480079
Energy: 712.3387236789662
Energy: 703.1703583362784
Energy: 702.5522956354658

minimum gb energy = 650.7981044769376 eV
minimum distance =  0.690829478664348 Angstroms
sigma value = 23