Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.814778730273247
cohesive_energy=4.122774919192733
mass=55.845
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: 0.01608765639855452
Energy: 0.6978037612859722
Energy: 0.01608765639855452
Energy: 0.6978037612863945
Energy: 0.01608765639855452
Energy: 0.697803761285151
Energy: 0.01608765639855452
Energy: 0.016570301684704913
Energy: 0.5648633286722866
Energy: 0.016570301685103796
Energy: 0.5648633286731078
Energy: 0.016570301684704913
Energy: 0.5648633286731078
Energy: 0.016570301685103796
Energy: 0.3954671419237069
Energy: 0.6316019713953407
Energy: 0.3954671419237069
Energy: 0.6316019713970067
Energy: 0.3954671419237069
Energy: 0.6316019713953407
Energy: 0.39546714192330806
Energy: 0.016570301685526142
Energy: 0.5648633286739291
Energy: 0.016570301684704913
Energy: 0.5648633286731078
Energy: 0.016570301685526142
Energy: 0.5648633286735302
Energy: 0.016570301683461335
Energy: 0.016087656398976864
Energy: 0.697803761285151
Energy: 0.01608765639855452
Energy: 0.69780376128555
Energy: 0.016087656398976864
Energy: 0.6978037612867934
Energy: 0.01608765639855452
Energy: 0.016570301685103796
Energy: 0.5648633286731078
Energy: 0.016570301685103796
Energy: 0.5648633286735302
Energy: 0.016570301684282567
Energy: 0.5648633286735302
Energy: 0.016570301685103796

minimum gb energy = 0.01608765639855452 eV
minimum distance =  2.43453385219635 Angstroms
sigma value = 5


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

Energy: 1.3828928646342293
Energy: 1.3671229267682166
Energy: 1.3828928646266616
Energy: 1.3671229267631715
Energy: 1.3828928646306977
Energy: 1.3671229267455136
Energy: 1.3828928646276706
Energy: 1.3063390486739273
Energy: 1.2665797294544776
Energy: 1.3063390486714503
Energy: 1.2665797294494328
Energy: 1.306339048672918
Energy: 1.2665797294554868
Energy: 1.3063390486714503
Energy: 1.2523432027330157
Energy: 1.253854746575026
Energy: 1.252343202730493
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Energy: 1.2538547465755305
Energy: 1.2523432027294839
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Energy: 1.2940592729326865
Energy: 1.2106519428500666
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Energy: 1.210651942844517
Energy: 1.294059272932182
Energy: 1.2106519428500666
Energy: 1.2299408538055097
Energy: 1.2753853004995315
Energy: 1.229940853802987
Energy: 1.275385300497009
Energy: 1.2299408538055097
Energy: 1.2753853004995315
Energy: 1.229940853801978
Energy: 1.286008074819303
Energy: 1.355892081601646
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Energy: 1.2860080748198073
Energy: 1.3558920816021505
Energy: 1.2860080748177893
Energy: 1.3232269296938712
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Energy: 1.3232269296913488
Energy: 1.3551773895815826
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Energy: 1.3232269296913488
Energy: 1.2446102663658305
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Energy: 1.3101992576560315
Energy: 1.3588893159374105
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Energy: 1.3101992576550225
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Energy: 1.2637261881686774
Energy: 1.2566809211685988
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Energy: 1.3093765812410687
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Energy: 1.3093765812446003
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Energy: 1.3285132155847186
Energy: 1.262087604262871
Energy: 1.242218836688834
Energy: 1.2620876042643845
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Energy: 1.262087604264889
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Energy: 1.2424472527367942
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Energy: 1.221831180389476
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Energy: 1.3762352873096797
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Energy: 1.2734030771506046
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Energy: 1.3336966032739128
Energy: 1.2505119414817958
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Energy: 1.328068459844007
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Energy: 1.3280684598424932
Energy: 1.296832634261413
Energy: 1.328068459844007
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Energy: 1.3280684598429977
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Energy: 1.2022267537747888
Energy: 1.2593274410946314
Energy: 1.2022267537757978
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Energy: 1.2022267537752935
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Energy: 1.2870166239409255
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Energy: 1.287016623936385
Energy: 1.3561101990271425
Energy: 1.2870166239409255
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Energy: 1.2878845949747595
Energy: 1.2894333875773014
Energy: 1.2878845949767777
Energy: 1.2894333875782646
Energy: 1.2878845949747595
Energy: 1.289433387577806
Energy: 1.2878845949772821
Energy: 1.2797913432047223
Energy: 1.3461491681861981
Energy: 1.2797913432037133
Energy: 1.3461491681887208
Energy: 1.2797913432057313
Energy: 1.3461491681861981
Energy: 1.2797913432037133
Energy: 1.2407930283847164
Energy: 1.3245280741674905
Energy: 1.2407930283866884
Energy: 1.3245280741695085
Energy: 1.2407930283842117
Energy: 1.3245280741674905
Energy: 1.240793028389211
Energy: 1.2137561688963219
Energy: 1.2677987449867416
Energy: 1.213756168900312
Energy: 1.2677987449837147
Energy: 1.2137561688968264
Energy: 1.2677987449862373
Energy: 1.2137561689013212
Energy: 1.2257070916259598
Energy: 1.2694894967517818
Energy: 1.2257070916214192
Energy: 1.2694894967527908
Energy: 1.2257070916259598
Energy: 1.2694894967517818
Energy: 1.2257070916219237
Energy: 1.2613687650527912
Energy: 1.2844140206692414
Energy: 1.2613687650517822
Energy: 1.284414020670755
Energy: 1.2613687650527912
Energy: 1.2844140206697459
Energy: 1.2613687650512777

minimum gb energy = 1.2022267537747888 eV
minimum distance =  2.26723165492446 Angstroms
sigma value = 401


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

Energy: 1.4221346839768376
Energy: 1.3268434266889346
Energy: 1.4221346839671019
Energy: 1.3268434266843532
Energy: 1.4221346839716833
Energy: 1.3268434266895073
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Energy: 1.2265093841544494
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Energy: 1.3101958453001619
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Energy: 1.2703198913817881
Energy: 1.3785516039579178
Energy: 1.2703198913817881
Energy: 1.2568613456165703
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Energy: 1.292721471379492
Energy: 1.3593245977789512
Energy: 1.2923304050197162
Energy: 1.3588416266948429
Energy: 1.2927214713777737
Energy: 1.3593245977772332
Energy: 1.2923304050071172
Energy: 1.3169426299500748
Energy: 1.3579450616059339
Energy: 1.3166936415285613
Energy: 1.3581836590657776
Energy: 1.3169426299523654
Energy: 1.3579450616059339
Energy: 1.3166936415239798
Energy: 1.2199159269324749
Energy: 1.3643101296174631
Energy: 1.2497000983717914
Energy: 1.364310129610643
Energy: 1.2199159269370563
Energy: 1.364310129614079
Energy: 1.2497000983654922
Energy: 1.2382052082722133
Energy: 1.3061169327989104
Energy: 1.2447942625283897
Energy: 1.3061169327960467
Energy: 1.2382052082853325
Energy: 1.3061169327931834
Energy: 1.2447942625306803
Energy: 1.2261703266829274
Energy: 1.287054794297808
Energy: 1.2261703266760553
Energy: 1.287054794298381
Energy: 1.2261703266794914
Energy: 1.287054794297808
Energy: 1.2261703266834998
Energy: 1.1904258528994742
Energy: 1.2577409407110867
Energy: 1.2185507851570765
Energy: 1.2577409407065054
Energy: 1.190425852894893
Energy: 1.2577409407070779
Energy: 1.2185507851696753
Energy: 1.377858835270216
Energy: 1.3268434266895073
Energy: 1.4221346839665294
Energy: 1.3268434266843532
Energy: 1.377858835268498
Energy: 1.3268434266895073
Energy: 1.4221346839716833
Energy: 1.190399352199335
Energy: 1.3083258573540366
Energy: 1.2265093841584584
Energy: 1.2920460542453294
Energy: 1.190399352206207
Energy: 1.3083258573506005
Energy: 1.2265093841492956

minimum gb energy = 1.190399352199335 eV
minimum distance =  2.24718061672956 Angstroms
sigma value = 311


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

Energy: 1.2837238247624603
Energy: 1.3486132992251785
Energy: 1.2469594716332044
Energy: 1.309717795849017
Energy: 1.2837238247591538
Energy: 1.3486132992284847
Energy: 1.2469594716305594
Energy: 1.204721509628443
Energy: 1.180812447410878
Energy: 1.144633689103603
Energy: 1.1781382093175425
Energy: 1.2047215096304267
Energy: 1.1808124474088944
Energy: 1.1446336891088633
Energy: 1.1686919562133986
Energy: 1.2968159277888491
Energy: 1.1687857567530358
Energy: 1.2994768097542404
Energy: 1.1686919562127374
Energy: 1.2968159277921554
Energy: 1.1687857567510518
Energy: 1.2212323424594425
Energy: 1.288176859972571
Energy: 1.2333133242710057
Energy: 1.2881768599745544
Energy: 1.2212323424614262
Energy: 1.2881768599745544
Energy: 1.2333133242710057
Energy: 1.3759729001753702
Energy: 1.370469738554622
Energy: 1.3763232599692505
Energy: 1.3704697385572673
Energy: 1.3759729001740477
Energy: 1.3704697385539608
Energy: 1.3763232599718955
Energy: 1.2035052049383796
Energy: 1.3380757066919262
Energy: 1.2035052049357347
Energy: 1.2420297327094092
Energy: 1.2035052049377184
Energy: 1.3380757066919262
Energy: 1.2035052049383796
Energy: 1.2106861456235722
Energy: 1.3295741198414126
Energy: 1.2106861456242335
Energy: 1.3330453469147043
Energy: 1.2106861456215885
Energy: 1.3295741198414126
Energy: 1.2106861456222495
Energy: 1.344631765660824
Energy: 1.319657449520254
Energy: 1.3446317656595015
Energy: 1.3196574495189317
Energy: 1.3446317656595015
Energy: 1.3196574495215765
Energy: 1.3446317656614852
Energy: 1.3511911387731308
Energy: 1.3163691768698962
Energy: 1.3511911387744535
Energy: 1.3163691768725412
Energy: 1.3511911387704858
Energy: 1.3163691768712187
Energy: 1.3511911387711473
Energy: 1.1273906081727385
Energy: 1.2749949706820989
Energy: 1.1273340005552939
Energy: 1.2749098868723574
Energy: 1.1273906081707847
Energy: 1.2749949706794537
Energy: 1.1273340005592616
Energy: 1.1513370336932685
Energy: 1.3112870770784195
Energy: 1.1513800417066278
Energy: 1.3112911626088815
Energy: 1.1513370336919462
Energy: 1.3112870770757743
Energy: 1.1513800417066278
Energy: 1.3832876800327898
Energy: 1.3700689789082785
Energy: 1.3832876800314673
Energy: 1.370068978909601
Energy: 1.3832876800321283
Energy: 1.3700689789082785
Energy: 1.3832876800314673
Energy: 1.3374490130618923
Energy: 1.320483470733382
Energy: 1.337449013063876
Energy: 1.3204834707347044
Energy: 1.3374490130625536
Energy: 1.3204834707347044
Energy: 1.3374490130645373
Energy: 1.1709570326641592
Energy: 1.191311619967087
Energy: 1.170957032665482
Energy: 1.1913116199664258
Energy: 1.1709570326641592
Energy: 1.191311619967087
Energy: 1.1709570326641592
Energy: 1.255828025575979
Energy: 1.2082080195230374
Energy: 1.214118506300161
Energy: 1.2114439296358206
Energy: 1.2558280255773018
Energy: 1.2082080195236986
Energy: 1.2141185062981772
Energy: 1.318829158824593
Energy: 1.3289726127964467
Energy: 1.2548023293195032
Energy: 1.3289726127951242
Energy: 1.3188291588219478
Energy: 1.3289726127931405
Energy: 1.2548023293181807
Energy: 1.2154219891038633
Energy: 1.2399195591838164
Energy: 1.1686860067434313
Energy: 1.239584101778553
Energy: 1.2154219891012183
Energy: 1.2399195591838164
Energy: 1.168686006745415
Energy: 1.1514470604422316
Energy: 1.3444151705364131
Energy: 1.1505855392543312
Energy: 1.1894833761601091
Energy: 1.1514470604422316
Energy: 1.3444151705377356
Energy: 1.1505855392549924
Energy: 1.3350677378697298
Energy: 1.2910980038144932
Energy: 1.3350677378664235
Energy: 1.280599485460655
Energy: 1.335067737868407
Energy: 1.291098003813832
Energy: 1.3350677378697298
Energy: 1.3431729556158185
Energy: 1.4099193920102515
Energy: 1.3431729556151573
Energy: 1.4102875251041422
Energy: 1.3431729556151573
Energy: 1.409919392011574
Energy: 1.3431729556151573
Energy: 1.1716313490747388
Energy: 1.2160768954592205
Energy: 1.1716313490720938
Energy: 1.216076895460543
Energy: 1.1716313490740775
Energy: 1.216076895460543
Energy: 1.1716313490747388
Energy: 1.1788923289913018
Energy: 1.328685020956123
Energy: 1.1788923289899793
Energy: 1.328685020956123
Energy: 1.1788923289899793
Energy: 1.3286850209594292
Energy: 1.1788923289913018
Energy: 1.3651172789173895
Energy: 1.3478312988449836
Energy: 1.3432394776672543
Energy: 1.3044741864005862
Energy: 1.3651172789173895
Energy: 1.3478312988423384
Energy: 1.3432394776679157
Energy: 1.3389023961764794
Energy: 1.3055946272324646
Energy: 1.321855340970943
Energy: 1.2797296253717108
Energy: 1.3389023961771407
Energy: 1.3055946272344485
Energy: 1.3218553409716043
Energy: 1.1641991660889541
Energy: 1.1911433756790444
Energy: 1.1641825019772847
Energy: 1.1808638902338653
Energy: 1.1641991660909379
Energy: 1.1911433756797056
Energy: 1.1641825019812222
Energy: 1.3201662186881367
Energy: 1.3636390139514887
Energy: 1.320041237106839
Energy: 1.3590392453951115
Energy: 1.3201662186854914
Energy: 1.3636390139501662
Energy: 1.3200412371061778
Energy: 1.398296696582343
Energy: 1.3693244729082874
Energy: 1.3982966965836656
Energy: 1.369324472906965
Energy: 1.3534624586958592
Energy: 1.3693244729056424
Energy: 1.3982966965830044
Energy: 1.2896862610780897
Energy: 1.3397364143441726
Energy: 1.289686261078751
Energy: 1.2394580363930516
Energy: 1.2896862610754443
Energy: 1.339736414345495
Energy: 1.289686261078751
Energy: 1.2007789666264832
Energy: 1.1760804420806594
Energy: 1.2007789666271445
Energy: 1.176080442081321
Energy: 1.2007789666271445
Energy: 1.176080442081321
Energy: 1.200778966625822
Energy: 1.3187939810685911
Energy: 1.331311578815607
Energy: 1.3187939810659761
Energy: 1.3313115788162682
Energy: 1.3187939810672986
Energy: 1.3313115788162682
Energy: 1.3187939810679599
Energy: 1.352831144738364
Energy: 1.3295277443450881
Energy: 1.3542827848103383
Energy: 1.3295277443477331
Energy: 1.3107329312364793
Energy: 1.3295277443457494
Energy: 1.3107329312364793
Energy: 1.1444385424940229
Energy: 1.2975516702205276
Energy: 1.1443252680542777
Energy: 1.2974780943405373
Energy: 1.1444385424986516
Energy: 1.2975516702185437
Energy: 1.14432526805031
Energy: 1.1601364254742843
Energy: 1.216394114241106
Energy: 1.1522490718748812
Energy: 1.2166371562612508
Energy: 1.1601364254723003
Energy: 1.2163941142430899
Energy: 1.1522490718722358
Energy: 1.3935333534614067
Energy: 1.4161302002318308
Energy: 1.393533353462068
Energy: 1.4161302002338148
Energy: 1.3935333534614067
Energy: 1.4161302002357985
Energy: 1.393533353462068
Energy: 1.278035232090967
Energy: 1.3828507970052903
Energy: 1.2948266085493465
Energy: 1.3081839069056682
Energy: 1.2780352320916284
Energy: 1.3828507970059518
Energy: 1.3095022808774064
Energy: 1.1928954302573278
Energy: 1.2416609823213884
Energy: 1.1928954302612953
Energy: 1.2416609823207272
Energy: 1.1928954302639407
Energy: 1.2416609823207272
Energy: 1.1928954302619565

minimum gb energy = 1.1273340005552939 eV
minimum distance =  2.24614205898623 Angstroms
sigma value = 39


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

Energy: 1.1429460157230948
Energy: 1.2494779467377457
Energy: 1.1429460157230948
Energy: 1.249477946736185
Energy: 1.1429460157230948
Energy: 1.249477946734624
Energy: 1.1429460157230948
Energy: 1.1939952706021952
Energy: 1.1513863919800675
Energy: 1.1939952706029757
Energy: 1.1513863919792873
Energy: 1.193995270603756
Energy: 1.1513863919785068
Energy: 1.1939952706021952
Energy: 1.2042918787283938
Energy: 1.075249319095528
Energy: 1.204291878729955
Energy: 1.0752493190963082
Energy: 1.2042918787283938
Energy: 1.075249319093967
Energy: 1.2042918787283938
Energy: 1.2134267005628405
Energy: 1.072184976227403
Energy: 1.213426700563621
Energy: 1.072184976227403
Energy: 1.2134267005612798
Energy: 1.0721849762297444
Energy: 1.2134267005597188
Energy: 1.195794822058253
Energy: 1.0702014702571214
Energy: 1.1957948220566923
Energy: 1.070201470256341
Energy: 1.1957948220559118
Energy: 1.070201470257902
Energy: 1.1957948220566923
Energy: 1.221750634345925
Energy: 1.1493362270727274
Energy: 1.2217506343482663
Energy: 1.1493362270742884
Energy: 1.2217506343428035
Energy: 1.1493362270742884
Energy: 1.2217506343435838
Energy: 1.4148326830963818
Energy: 1.142151282575789
Energy: 1.4148326830971623
Energy: 1.1421512825734474
Energy: 1.4148326830940405
Energy: 1.1421512825750084
Energy: 1.4148326830956015
Energy: 1.2123533820617771
Energy: 1.1350088220416856
Energy: 1.212353382063338
Energy: 1.135008822040125
Energy: 1.2123533820664598
Energy: 1.1350088220377836
Energy: 1.2123533820625576
Energy: 1.2990345379564316
Energy: 1.1346373936178085
Energy: 1.29903453795331
Energy: 1.1346373936170284
Energy: 1.299034537954871
Energy: 1.134637393618589
Energy: 1.29903453795331
Energy: 1.135326505218842
Energy: 1.2784779131505453
Energy: 1.1353265052196224
Energy: 1.2784779131536668
Energy: 1.135326505220403
Energy: 1.2784779131536668
Energy: 1.135326505218842
Energy: 1.1995315696734479
Energy: 1.1449974714045401
Energy: 1.1995315696734479
Energy: 1.1449974714029791
Energy: 1.1995315696734479
Energy: 1.1449974714037596
Energy: 1.1995315696726674
Energy: 1.1349725437134486
Energy: 1.0712447131483118
Energy: 1.134972543714229
Energy: 1.0712447131483118
Energy: 1.134972543714229
Energy: 1.0712447131537748
Energy: 1.134972543714229
Energy: 1.167436885728091
Energy: 1.0731930886364176
Energy: 1.1674368857288715
Energy: 1.0731930886340764
Energy: 1.167436885732774
Energy: 1.0731930886379784
Energy: 1.167436885729652
Energy: 1.1350790903396175
Energy: 1.0712631239676977
Energy: 1.135079090334935
Energy: 1.0712631239692587
Energy: 1.135079090334935
Energy: 1.0712631239700392
Energy: 1.1350790903380568
Energy: 1.215683841338558
Energy: 1.2218159978342407
Energy: 1.215683841333095
Energy: 1.2218159978326797
Energy: 1.2156838413338755
Energy: 1.2218159978342407
Energy: 1.2156838413338755
Energy: 1.135060083010841
Energy: 1.143404911528902
Energy: 1.1350600830100606
Energy: 1.143404911528902
Energy: 1.1350600830077193
Energy: 1.1434049115257805
Energy: 1.135060083010841
Energy: 1.3035517484033532
Energy: 1.134866553260384
Energy: 1.303551748404914
Energy: 1.1348665532596036
Energy: 1.3035517484033532
Energy: 1.1348665532611646
Energy: 1.3035517484017922
Energy: 1.1996678896824684
Energy: 1.135060471070071
Energy: 1.1996678896793467
Energy: 1.1350604710708512
Energy: 1.199667889681688
Energy: 1.1350604710724121
Energy: 1.1996678896824684
Energy: 1.285482012856839
Energy: 1.1460831717343432
Energy: 1.2854820128029898
Energy: 1.1460831717351234
Energy: 1.2854820128989466
Energy: 1.146083171735904
Energy: 1.2854820128193787
Energy: 1.1351117287940784
Energy: 1.2531956798638029
Energy: 1.1351117287956392
Energy: 1.2531956798653636
Energy: 1.135111728793298
Energy: 1.2531956798669246
Energy: 1.1351117287940784
Energy: 1.243609500620379
Energy: 1.0698943868217403
Energy: 1.2436095006188181
Energy: 1.0698943868186186
Energy: 1.2436095006211594
Energy: 1.0698943868186186
Energy: 1.2436095006211594
Energy: 1.1356393016194068
Energy: 1.0710068872798875
Energy: 1.1356393016217483
Energy: 1.0710068872798875
Energy: 1.1356393016209678
Energy: 1.0710068872798875
Energy: 1.1356393016178463
Energy: 1.2864627217462272
Energy: 1.074215982974526
Energy: 1.2864627217462272
Energy: 1.0742159829729652
Energy: 1.2864627217431057
Energy: 1.0742159829729652
Energy: 1.2864627217477882
Energy: 1.196509206378894
Energy: 1.0707356539589956
Energy: 1.1965092063781135
Energy: 1.070735653959776
Energy: 1.196509206377333
Energy: 1.0707356539582151
Energy: 1.1965092063742115
Energy: 1.2200485493424609
Energy: 1.141803984830789
Energy: 1.2200485493362172
Energy: 1.1418039848300088
Energy: 1.2200485493369977
Energy: 1.141803984830789
Energy: 1.2200485493401194
Energy: 1.201742283463531
Energy: 1.1424265276946193
Energy: 1.2017422834689937
Energy: 1.142426527690717
Energy: 1.2017422834666525
Energy: 1.1424265276899366
Energy: 1.2017422834658722
Energy: 1.2356072944145955
Energy: 1.1428735681947544
Energy: 1.2356072944138152
Energy: 1.1428735681924131
Energy: 1.2356072944114738
Energy: 1.1428735681947544
Energy: 1.2356072944114738
Energy: 1.2045629806296683
Energy: 1.1592002520233913
Energy: 1.2045629806304485
Energy: 1.1592002520179283
Energy: 1.2045629806265465
Energy: 1.1592002520210503
Energy: 1.2045629806304485
Energy: 1.142946015723875
Energy: 1.2494779467377457
Energy: 1.1429460157246556
Energy: 1.249477946736185
Energy: 1.142946015723875
Energy: 1.249477946736185
Energy: 1.142946015723875
Energy: 1.1939952706006343
Energy: 1.1513863919800675
Energy: 1.1939952706014147
Energy: 1.1513863919792873
Energy: 1.1939952706029757
Energy: 1.1513863919777265
Energy: 1.1939952705998538

minimum gb energy = 1.0698943868186186 eV
minimum distance =  2.26469194359817 Angstroms
sigma value = 21


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

Energy: 1.2406279682464705
Energy: 1.278105582473812
Energy: 1.2406279682351016
Energy: 1.2781055824757066
Energy: 1.2406279682275223
Energy: 1.2781055824747591
Energy: 1.240627968238891
Energy: 1.140378025132726
Energy: 1.1657024388569792
Energy: 1.140378025134621
Energy: 1.1657024388569792
Energy: 1.1403780251336735
Energy: 1.1657024388569792
Energy: 1.140378025134621
Energy: 1.1833620919747152
Energy: 1.2050056849027124
Energy: 1.1833620919756624
Energy: 1.2050056906944246
Energy: 1.1833620919747152
Energy: 1.2050056682311268
Energy: 1.1833620919728203
Energy: 1.0524894475048316
Energy: 1.1187094503074442
Energy: 1.0524894474574835
Energy: 1.1187094503074442
Energy: 1.0524894474139244
Energy: 1.1187094503074442
Energy: 1.0524894474385569
Energy: 1.1507734506852818
Energy: 1.0626715157549584
Energy: 1.1507734506862293
Energy: 1.0626715157568531
Energy: 1.150773450683387
Energy: 1.062671515755906
Energy: 1.1507734506843341
Energy: 1.063519576459807
Energy: 1.2362931424812302
Energy: 1.0635195764550702
Energy: 1.2362931424821775
Energy: 1.0635195764531755
Energy: 1.2362931424812302
Energy: 1.0635195764531755
Energy: 1.0673520869839772
Energy: 1.1636026050028323
Energy: 1.0673520869858721
Energy: 1.163602605009464
Energy: 1.0673520869839772
Energy: 1.1636026050122847
Energy: 1.0673520869849247
Energy: 1.103169682036447
Energy: 1.110133134197515
Energy: 1.1031696820336048
Energy: 1.1101331341984622
Energy: 1.1031696820184465
Energy: 1.110133134197515
Energy: 1.103169682015604
Energy: 1.2189913394346363
Energy: 1.1070676973220663
Energy: 1.2189913394327418
Energy: 1.1070676973239615
Energy: 1.2189913394327418
Energy: 1.1070676973220663
Energy: 1.2189913394317944
Energy: 1.0583545325482182
Energy: 1.1626544780397445
Energy: 1.0583545325444288
Energy: 1.1626544554362963
Energy: 1.0583545325453763
Energy: 1.1626544654193476
Energy: 1.0583545325453763
Energy: 1.0664708904998992
Energy: 1.2033035518147128
Energy: 1.0664708904998992
Energy: 1.2033035518137654
Energy: 1.0664708905008464
Energy: 1.2033035518137654
Energy: 1.0664708904998992
Energy: 1.143833840926982
Energy: 1.0769546393786391
Energy: 1.1438338409279294
Energy: 1.0769546393786391
Energy: 1.143833840926982
Energy: 1.0769546393795866
Energy: 1.143833840926982
Energy: 1.2200277865838167
Energy: 1.1070530366538396
Energy: 1.2200277865838167
Energy: 1.1070530366547866
Energy: 1.2200277865838167
Energy: 1.1070530366538396
Energy: 1.2200277865838167
Energy: 1.1816876169566441
Energy: 1.211312836645319
Energy: 1.1816876169547492
Energy: 1.2113128367561214
Energy: 1.1816876169547492
Energy: 1.2113128366831933
Energy: 1.1816876169566441
Energy: 1.1647680317620066
Energy: 1.109061671325281
Energy: 1.164768031767691
Energy: 1.1090616713271757
Energy: 1.1647680317639015
Energy: 1.109061671323386
Energy: 1.1647680317657962
Energy: 1.2060250161197952
Energy: 1.2741557168825748
Energy: 1.2060250161254795
Energy: 1.2741557168807014
Energy: 1.2060250161169528
Energy: 1.2741557168807014
Energy: 1.2060250161188475
Energy: 1.1451452597615255
Energy: 1.1071623544532008
Energy: 1.145145259762473
Energy: 1.1071623544550957
Energy: 1.145145259762473
Energy: 1.1071623544532008
Energy: 1.1451452597634202
Energy: 1.1377640086187977
Energy: 1.2060878511247788
Energy: 1.1377640086178504
Energy: 1.2060877955522527
Energy: 1.1377640086178504
Energy: 1.206087890542784
Energy: 1.1377640086178504
Energy: 1.1225347945322257
Energy: 1.10935988018861
Energy: 1.1225347945369626
Energy: 1.1093598801895574
Energy: 1.1225347945388575
Energy: 1.10935988018861
Energy: 1.122534794539805
Energy: 1.1436978922590162
Energy: 1.0645240470142754
Energy: 1.1436978922599634
Energy: 1.0645240470142754
Energy: 1.1436978922703849
Energy: 1.0645240470152226
Energy: 1.1436978922665952
Energy: 1.1096684980683837
Energy: 1.1765370829060116
Energy: 1.1096684980693312
Energy: 1.1765370829060116
Energy: 1.1096684980693312
Energy: 1.1765370829060116
Energy: 1.1096684980693312
Energy: 1.0555314203639174
Energy: 1.1616246521035833
Energy: 1.0555314203639174
Energy: 1.1616246525543301
Energy: 1.0555314203639174
Energy: 1.1616246523261144
Energy: 1.0555314203639174
Energy: 1.1755505254451535
Energy: 1.1085331039058253
Energy: 1.175550525444206
Energy: 1.108533103904878
Energy: 1.1755505254461012
Energy: 1.1085331039058253
Energy: 1.1755505254432588
Energy: 1.218304404182059
Energy: 1.0632050467025125
Energy: 1.218304404182059
Energy: 1.0632050467015648
Energy: 1.2183044041830065
Energy: 1.0632050467025125
Energy: 1.218304404182059
Energy: 1.0760889272830996
Energy: 1.2726445512418962
Energy: 1.0760889272830996
Energy: 1.2726445512428437
Energy: 1.0760889272821523
Energy: 1.2726445512418962
Energy: 1.0760889272821523

minimum gb energy = 1.0524894474139244 eV
minimum distance =  2.29000813932664 Angstroms
sigma value = 113


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

Energy: 1.1081960914061189
Energy: 1.1908627531881015
Energy: 1.10819609006162
Energy: 1.1908627532420335
Energy: 1.1081960918109923
Energy: 1.1908627532637122
Energy: 1.1081960932728239
Energy: 1.0869005576548476
Energy: 1.0308368517593463
Energy: 1.086900557659606
Energy: 1.03083685176199
Energy: 1.0869005576569624
Energy: 1.030836851759875
Energy: 1.0869005576606636
Energy: 1.110101919185069
Energy: 1.1014630621547064
Energy: 1.1101019191887702
Energy: 1.1014630617931898
Energy: 1.1101019191845403
Energy: 1.101463061944891
Energy: 1.1101019191834827
Energy: 1.0348547932911585
Energy: 1.0260980621700444
Energy: 1.0348547932938021
Energy: 1.026098062174803
Energy: 1.0348547932927448
Energy: 1.0260980621700444
Energy: 1.034854793298032
Energy: 1.0445429054624915
Energy: 1.3006588604504812
Energy: 1.0445429053097326
Energy: 1.300658860458941
Energy: 1.0445429053741913
Energy: 1.3006588604525962
Energy: 1.0445429053451583
Energy: 1.0321561683955534
Energy: 1.0717872225232912
Energy: 1.0321561683955534
Energy: 1.0717872225275211
Energy: 1.0321561683971394
Energy: 1.0717872225232912
Energy: 1.032156168396611
Energy: 1.0817018269886953
Energy: 1.058652624418045
Energy: 1.0817018269823502
Energy: 1.0586526244132863
Energy: 1.0817018269897527
Energy: 1.0586526244212175
Energy: 1.0817018269823502
Energy: 1.0655223489671577
Energy: 1.0123707166976539
Energy: 1.0655223489676862
Energy: 1.0123707166992402
Energy: 1.065522348968215
Energy: 1.0123707166981828
Energy: 1.065522348968215
Energy: 1.0235035236004064
Energy: 1.2705242120148144
Energy: 1.0235035238641532
Energy: 1.2705242120222169
Energy: 1.023503523784361
Energy: 1.2705242120153428
Energy: 1.0235035239191423
Energy: 1.0348016829728477
Energy: 1.0148051131630882
Energy: 1.034801682970204
Energy: 1.014805113165732
Energy: 1.0348016829728477
Energy: 1.0148051131625595
Energy: 1.034801682970204
Energy: 1.0426550816295674
Energy: 1.0388313575546462
Energy: 1.042655081626395
Energy: 1.0388313575578187
Energy: 1.0426550816269238
Energy: 1.0388313575562325
Energy: 1.0426550816258664
Energy: 1.0430805155104412
Energy: 1.0235748073195614
Energy: 1.0430805155141425
Energy: 1.0235748073206192
Energy: 1.0430805155114986
Energy: 1.02357480732009
Energy: 1.0430805155120275
Energy: 1.062396823195709
Energy: 1.3019471818289619
Energy: 1.0623968231983043
Energy: 1.3019471818300192
Energy: 1.062396823195709
Energy: 1.3019471818284327
Energy: 1.062396823197247
Energy: 1.0294116771228967
Energy: 1.0175427967959485
Energy: 1.029411677122368
Energy: 1.017542796799121
Energy: 1.0294116771234254
Energy: 1.0175427967959485
Energy: 1.029411677122368
Energy: 1.029241323747904
Energy: 1.022671581531395
Energy: 1.0292413237510765
Energy: 1.0226715815319238
Energy: 1.0292413237484328
Energy: 1.0226715815319238
Energy: 1.0292413237516052
Energy: 1.0357183718178304
Energy: 1.2813469490766065
Energy: 1.0357183718194165
Energy: 1.2813469490739628
Energy: 1.0357183718183591
Energy: 1.2813469490766065
Energy: 1.0357183718188878
Energy: 0.9953453018009486
Energy: 1.0046911765424213
Energy: 0.9953453017792699
Energy: 1.004691176541364
Energy: 0.9953453017882586
Energy: 1.0046911765424213
Energy: 0.99534530177504
Energy: 1.0474615124233755
Energy: 1.0301637974163982
Energy: 1.0474615124239042
Energy: 1.030163797429088
Energy: 1.047461512422318
Energy: 1.0301637974163982
Energy: 1.0474615124217894
Energy: 1.0301767569761335
Energy: 1.0222156228389798
Energy: 1.030176756975076
Energy: 1.0222156228458055
Energy: 1.0301767569756044
Energy: 1.0222156228389798
Energy: 1.0301767569756044
Energy: 1.0673618060461327
Energy: 1.2703162497533622
Energy: 1.067361806045604
Energy: 1.270316249756006
Energy: 1.0673618060445467
Energy: 1.2703162497517761
Energy: 1.0673618060461327
Energy: 1.039438626834294
Energy: 1.0052381196289772
Energy: 1.0394386268321791
Energy: 1.005238119625276
Energy: 1.0394386268337654
Energy: 1.0052381196289772
Energy: 1.0394386268316504
Energy: 1.0638506460175257
Energy: 1.065199345785174
Energy: 1.063850646016997
Energy: 1.0651993457862314
Energy: 1.0638506460175257
Energy: 1.065199345785174
Energy: 1.063850646016468
Energy: 1.0274972084761913
Energy: 1.0600113525376416
Energy: 1.0274972084761913
Energy: 1.0600113525334116
Energy: 1.0274972084761913
Energy: 1.0600113525376416
Energy: 1.0274972084761913
Energy: 1.0453506517007904
Energy: 1.0779280530326165
Energy: 1.0453506517029054
Energy: 1.0779280475118125
Energy: 1.0453506516944455
Energy: 1.0779280447513866
Energy: 1.045350651711894
Energy: 1.0343139922231452
Energy: 1.0265337149988714
Energy: 1.0343139922199729
Energy: 1.0265337149988714
Energy: 1.0343139922231452
Energy: 1.0265337149988714
Energy: 1.0343139922199729
Energy: 1.1209266979826868
Energy: 1.0711018046682437
Energy: 1.1209266979826868
Energy: 1.0711018046561307
Energy: 1.1209266979826868
Energy: 1.0711018046545444
Energy: 1.1209266979826868
Energy: 1.0940853946461728
Energy: 1.0395508493257846
Energy: 1.0940853946419429
Energy: 1.0395508493300145
Energy: 1.0940853946456441
Energy: 1.0395508493252557
Energy: 1.0940853946419429
Energy: 1.0539906177143756
Energy: 1.2348724139066798
Energy: 1.0539906176737104
Energy: 1.2348724139045648
Energy: 1.0539906177032718
Energy: 1.2348724139093235
Energy: 1.0539906177059155
Energy: 1.0643538104079806
Energy: 1.0309311992041787
Energy: 1.0643538104026933
Energy: 1.03093119921211
Energy: 1.0643538104069232
Energy: 1.0309311992041787
Energy: 1.064353810403222
Energy: 1.1158676820296207
Energy: 1.071950512148317
Energy: 1.1158676820301494
Energy: 1.0719505121704764
Energy: 1.1158676820301494
Energy: 1.0719505121720627
Energy: 1.1158676820285631
Energy: 1.0873465387897392
Energy: 1.040558481937357
Energy: 1.0873465387865666
Energy: 1.0405584819421156
Energy: 1.0873465387892103
Energy: 1.0405584819368283
Energy: 1.087346538786038
Energy: 1.0471209950476132
Energy: 1.078447388487514
Energy: 1.047120995048142
Energy: 1.0784473883019734
Energy: 1.0471209950486706
Energy: 1.0784473882528482
Energy: 1.0471209950497282
Energy: 1.0317515248584612
Energy: 1.0724987973831497
Energy: 1.0317515248552886
Energy: 1.0724987973836781
Energy: 1.0317515248568752
Energy: 1.0724987973831497
Energy: 1.0317515248563462
Energy: 1.0422239095244112
Energy: 1.0654101462489465
Energy: 1.0422239095302275
Energy: 1.0654101462541858
Energy: 1.0422239095244112
Energy: 1.0654101462494752
Energy: 1.04222390952917
Energy: 1.0646317410175685
Energy: 1.0221210423412828
Energy: 1.0646317410196835
Energy: 1.0221210423381102
Energy: 1.064631741018097
Energy: 1.0221210423418114
Energy: 1.0646317410196835
Energy: 1.0177746329919068
Energy: 1.2525838065786064
Energy: 1.0177746329919068
Energy: 1.2525838065553414
Energy: 1.017774632993493
Energy: 1.252583806557985
Energy: 1.0177746329945505
Energy: 1.0347757537181803
Energy: 1.0162228912722553
Energy: 1.0347757537202948
Energy: 1.0162228912717262
Energy: 1.0347757537192375
Energy: 1.0162228912722553
Energy: 1.0347757537218811
Energy: 1.0358842220745066
Energy: 0.9905330892431315
Energy: 1.0358842220766213
Energy: 0.9905330892384209
Energy: 1.0358842220734492
Energy: 0.9905330892426029
Energy: 1.0358842220760929
Energy: 1.041939700042879
Energy: 1.0693364469440645
Energy: 1.0419397000402353
Energy: 1.069336446940892
Energy: 1.0419397000412927
Energy: 1.0693364469440645
Energy: 1.0419397000391777
Energy: 0.9959602253999827
Energy: 1.2657554312449657
Energy: 0.995960225397339
Energy: 1.2657554312428507
Energy: 0.9959602254031551
Energy: 1.265755431244437
Energy: 0.995960225397339
Energy: 1.0487823567039882
Energy: 1.0129359136086826
Energy: 1.048782356706632
Energy: 1.0129359136107978
Energy: 1.0487823567045171
Energy: 1.0129359136086826
Energy: 1.0487823567076895
Energy: 1.0214058437743767
Energy: 1.0104721918790425
Energy: 1.0214058437722615
Energy: 1.0104721918811572
Energy: 1.0214058437743767
Energy: 1.0104721918790425
Energy: 1.0214058437727904
Energy: 1.0403959040036377
Energy: 1.292091450533585
Energy: 1.0403959040036377
Energy: 1.2920914505330563
Energy: 1.0403959040020512
Energy: 1.2920914505351713
Energy: 1.0403959040041664
Energy: 0.9958861471724823
Energy: 1.0024837251567755
Energy: 0.9958861471719535
Energy: 1.0024837251546606
Energy: 0.9958861471719535
Energy: 1.0024837251567755
Energy: 0.9958861471730109
Energy: 1.0470647401012363
Energy: 1.0250077487624212
Energy: 1.0470647401044086
Energy: 1.0250077487571336
Energy: 1.0470647401012363
Energy: 1.0250077487624212
Energy: 1.0470647401028224

minimum gb energy = 0.9905330892384209 eV
minimum distance =  2.26793390662921 Angstroms
sigma value = 365


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

Energy: 0.4150063417409949
Energy: 0.38880006697429365
Energy: 0.4150063417421869
Energy: 0.38880006697429365
Energy: 0.4150063417409949
Energy: 0.38880006697429365
Energy: 0.4150063417421869
Energy: 2.1496753439747187
Energy: 0.9983836672511929
Energy: 2.1496753439747187
Energy: 0.9983836672500007
Energy: 2.1496753439735268
Energy: 0.9983836672511929
Energy: 2.1496753439735268
Energy: 0.4150063417409949
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 0.38880006697667785
Energy: 0.4150063417409949
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 2.1496753439747187
Energy: 0.9983836672488084
Energy: 2.14967534397591
Energy: 0.9983836672500007
Energy: 2.1496753439735268
Energy: 0.9983836672488084
Energy: 2.14967534397591
Energy: 0.4150063417421869
Energy: 0.38880006697548575
Energy: 0.4150063417409949
Energy: 0.38880006697429365
Energy: 0.4150063417421869
Energy: 0.38880006697548575
Energy: 0.4150063417409949
Energy: 1.7578838599492945
Energy: 0.9983836672500007
Energy: 1.7578838599481021
Energy: 0.9983836672511929
Energy: 1.7578838599469102
Energy: 0.9983836672500007
Energy: 1.7578838599481021
Energy: 0.4150063417398027
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 1.7578838599504865
Energy: 0.9983836672511929
Energy: 1.7578838599469102
Energy: 0.9983836672500007
Energy: 1.7578838599492945
Energy: 0.9983836672511929
Energy: 1.7578838599469102
Energy: 0.4150063417421869
Energy: 0.38880006697429365
Energy: 0.4150063417409949
Energy: 0.38880006697548575
Energy: 0.4150063417421869
Energy: 0.38880006697429365
Energy: 0.4150063417409949
Energy: 1.7578838599469102
Energy: 0.9983836672500007
Energy: 1.7578838599457178
Energy: 0.9983836672488084
Energy: 1.7578838599492945
Energy: 0.9983836672500007
Energy: 1.757883859943334
Energy: 0.4150063417409949
Energy: 0.38880006697667785
Energy: 0.4150063417398027
Energy: 0.38880006697548575
Energy: 0.4150063417409949
Energy: 0.38880006697667785
Energy: 0.4150063417398027
Energy: 1.5936223641783205
Energy: 0.9983836672500007
Energy: 1.593622368784991
Energy: 0.9983836672523848
Energy: 1.5936223691484246
Energy: 0.9983836672500007
Energy: 1.5936223597849306
Energy: 0.4150063417409949
Energy: 0.38880006697429365
Energy: 0.4150063417421869
Energy: 0.38880006697429365
Energy: 0.4150063417421869
Energy: 0.38880006697429365
Energy: 0.4150063417421869
Energy: 1.5936223507479144
Energy: 0.9983836672511929
Energy: 1.5936223558622107
Energy: 0.9983836672500007
Energy: 1.5936223514628602
Energy: 0.9983836672511929
Energy: 1.5936223531167892
Energy: 0.4150063417409949
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 0.38880006697667785
Energy: 0.4150063417409949
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 1.5936223546896808
Energy: 0.9983836672500007
Energy: 1.5936223628627906
Energy: 0.9983836672500007
Energy: 1.5936223550543065
Energy: 0.9983836672488084
Energy: 1.5936223500853945
Energy: 0.4150063417433791
Energy: 0.38880006697667785
Energy: 0.4150063417421869
Energy: 0.38880006697429365
Energy: 0.4150063417421869
Energy: 0.38880006697548575
Energy: 0.4150063417409949
Energy: 1.5936223588531004
Energy: 0.9983836672500007
Energy: 1.5936223851062035
Energy: 0.9983836672523848
Energy: 1.5936223614388594
Energy: 0.9983836672500007
Energy: 1.5936223574875559
Energy: 0.4150063417398027
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 0.38880006697548575
Energy: 0.4150063417398027
Energy: 1.5936223537328436
Energy: 0.9983836672511929
Energy: 1.5936223503594462
Energy: 0.9983836672500007
Energy: 1.593622349988887
Energy: 0.9983836672511929
Energy: 1.5936223502367122

minimum gb energy = 0.38880006697429365 eV
minimum distance =  2.28285135794446 Angstroms
sigma value = 23