Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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=2.8665000349283223
cohesive_energy=4.280336677243816
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: 0.01611069873169636
Energy: 0.5827591927214941
Energy: 0.01611069873169636
Energy: 0.5827591927214941
Energy: 0.01611069873169636
Energy: 0.5827591927219015
Energy: 0.016110698732103603
Energy: 0.016936241556320532
Energy: 0.6489096538145125
Energy: 0.016936241555913285
Energy: 0.6489096538145125
Energy: 0.016936241556320532
Energy: 0.6489096538137433
Energy: 0.016936241555913285
Energy: 0.43686219961694633
Energy: 0.5158160424494121
Energy: 0.43686219961694633
Energy: 0.5158160424494121
Energy: 0.43686219961576983
Energy: 0.515816042448213
Energy: 0.43686219961853
Energy: 0.016936241555913285
Energy: 0.6489096538141506
Energy: 0.016936241555913285
Energy: 0.6489096538145125
Energy: 0.016936241555913285
Energy: 0.648909653813336
Energy: 0.016936241555913285
Energy: 0.016110698732103603
Energy: 0.5827591927214941
Energy: 0.016110698732103603
Energy: 0.5827591927214941
Energy: 0.016110698732103603
Energy: 0.5827591927214941
Energy: 0.016110698732103603
Energy: 0.016936241555913285
Energy: 0.6489096538141506
Energy: 0.01693624155555129
Energy: 0.6489096538137433
Energy: 0.016936241555913285
Energy: 0.6489096538141506
Energy: 0.016936241555913285

minimum gb energy = 0.01611069873169636 eV
minimum distance =  2.47786004522543 Angstroms
sigma value = 5


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

Energy: 1.320909447076757
Energy: 1.4602899158050822
Energy: 1.3209094470772436
Energy: 1.4602899158060552
Energy: 1.320909447076757
Energy: 1.4602899158114062
Energy: 1.32090944707773
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Energy: 1.2728135426031286
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Energy: 1.1907917198116056
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Energy: 1.2393289567214958
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Energy: 1.2392780107089763
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Energy: 1.2462116492013346
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Energy: 1.1887672506522584
Energy: 1.1752428237184647
Energy: 1.1887672506532314
Energy: 1.175242823720897
Energy: 1.1887672506522584
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Energy: 1.2366197605384874
Energy: 1.288780044080854
Energy: 1.236619760539947
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Energy: 1.236619760538974
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Energy: 1.195454866218713
Energy: 1.2361374065752335
Energy: 1.1954548662148217
Energy: 1.2361374065752335
Energy: 1.1954548662182265
Energy: 1.2361374065757202
Energy: 1.227075152096633
Energy: 1.269754079976061
Energy: 1.2270751520907952
Energy: 1.269754079976061
Energy: 1.227075152096633
Energy: 1.2697540799755742
Energy: 1.2270751520907952
Energy: 1.204594712159998
Energy: 1.2273330203209583
Energy: 1.2045947121624303
Energy: 1.2273330203190125
Energy: 1.2045947121595115
Energy: 1.2273330203214448
Energy: 1.2045947121624303
Energy: 1.194100478046548
Energy: 1.213711581258297
Energy: 1.1941004780470348
Energy: 1.2137115812544053
Energy: 1.1941004780470348
Energy: 1.213711581258297
Energy: 1.194100478046548
Energy: 1.1989040963510373
Energy: 1.1918176283138926
Energy: 1.1989040963524968
Energy: 1.1918176283075683
Energy: 1.1989040963505513
Energy: 1.1918176283143789
Energy: 1.1989040963520103
Energy: 1.2116837895947534
Energy: 1.222586194516869
Energy: 1.211683789590862
Energy: 1.2225861945202745
Energy: 1.21168378959524
Energy: 1.2225861945173557
Energy: 1.2116837895913484

minimum gb energy = 1.1752428237184647 eV
minimum distance =  2.33552473668317 Angstroms
sigma value = 401


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

Energy: 1.3300645149495836
Energy: 1.328835869229698
Energy: 1.3300645149501358
Energy: 1.328835869229698
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Energy: 1.3107079393338166
Energy: 1.3110110464575824
Energy: 1.3107079393288468
Energy: 1.3110110464515081
Energy: 1.310707939329951
Energy: 1.311011046450404
Energy: 1.3107079393316077
Energy: 1.249288982714268
Energy: 1.2889789148205246
Energy: 1.2492889827131635
Energy: 1.2889789148188682
Energy: 1.249288982714268
Energy: 1.2889789148199726
Energy: 1.249288982717029
Energy: 1.2468030822066978
Energy: 1.3007512435653912
Energy: 1.2468030822055933
Energy: 1.3007512435659434
Energy: 1.246803082205041
Energy: 1.3007512435653912
Energy: 1.2468030822039367
Energy: 1.2381314063156885
Energy: 1.2382465726852439
Energy: 1.2381314063162405
Energy: 1.2382465726813787
Energy: 1.238131406316793
Energy: 1.2382465726863483
Energy: 1.238131406316793
Energy: 1.290460111351655
Energy: 1.2355199164670947
Energy: 1.290460111351655
Energy: 1.2355199164626771
Energy: 1.290460111351655
Energy: 1.235519916467647
Energy: 1.2904601113538636
Energy: 1.3731507470323794
Energy: 1.3144631763755448
Energy: 1.3731507470417663
Energy: 1.314463176377201
Energy: 1.3731507470439754
Energy: 1.314463176371679
Energy: 1.373150747043423
Energy: 1.2627218753381797
Energy: 1.2579691060307487
Energy: 1.2627218753381797
Energy: 1.2579691058707123
Energy: 1.262721875335971
Energy: 1.2579691058375804
Energy: 1.262721875342045

minimum gb energy = 1.2113115744571872 eV
minimum distance =  2.33516336657739 Angstroms
sigma value = 311


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

Energy: 1.3421783171016823
Energy: 1.3257662398646781
Energy: 1.2900891421854017
Energy: 1.386442002972781
Energy: 1.3421783170997692
Energy: 1.3257662398653158
Energy: 1.2900891421860392
Energy: 1.243675446233615
Energy: 1.2073335589909515
Energy: 1.2498400847906828
Energy: 1.271630763246618
Energy: 1.243675446233615
Energy: 1.2073335589909515
Energy: 1.2498400847906828
Energy: 1.2650592282092905
Energy: 1.2294074002198778
Energy: 1.2641019389176678
Energy: 1.2653951304922837
Energy: 1.265059228209928
Energy: 1.2294069183927154
Energy: 1.2641019389170594
Energy: 1.3138986078508161
Energy: 1.314706108162589
Energy: 1.314743538824945
Energy: 1.3147061081606761
Energy: 1.3138986078489032
Energy: 1.3147061081600384
Energy: 1.31474353882367
Energy: 1.3269237859813694
Energy: 1.3457672442355195
Energy: 1.3252702598752237
Energy: 1.3457672442387076
Energy: 1.3269237859813694
Energy: 1.3457672442367947
Energy: 1.3252702598733106
Energy: 1.2592888455921205
Energy: 1.2876368994893619
Energy: 1.2592888455933957
Energy: 1.2876368994912746
Energy: 1.2592888455933957
Energy: 1.2876368994899994
Energy: 1.2592888455921205
Energy: 1.2596461526867384
Energy: 1.2863940098978919
Energy: 1.2596461526854632
Energy: 1.2863940098985296
Energy: 1.2596461526880134
Energy: 1.2863940098978919
Energy: 1.2596461526873757
Energy: 1.359719557262022
Energy: 1.3263525825947227
Energy: 1.3293927296487122
Energy: 1.3263525825947227
Energy: 1.3597195572652103
Energy: 1.3263525825953604
Energy: 1.3293927296480748
Energy: 1.3175150665614472
Energy: 1.3358350313049092
Energy: 1.2923003001391586
Energy: 1.3358350313049092
Energy: 1.3175150665608097
Energy: 1.3358350313049092
Energy: 1.2923003001359703
Energy: 1.2349370259840564
Energy: 1.2462404310126107
Energy: 1.2350310646810616
Energy: 1.2461298445839213
Energy: 1.2349370259866068
Energy: 1.2462404310113353
Energy: 1.2350310646842497
Energy: 1.23677188395567
Energy: 1.2905627557697832
Energy: 1.2364470019377474
Energy: 1.2906969299965791
Energy: 1.2367718839563073
Energy: 1.2905627557697832
Energy: 1.2364470019409353
Energy: 1.3633976279345412
Energy: 1.3774361481150639
Energy: 1.3633976279364541
Energy: 1.3772996519293919
Energy: 1.3633976279358166
Energy: 1.3774361481150639
Energy: 1.363397627935179
Energy: 1.2775553477198855
Energy: 1.311017940769482
Energy: 1.277556124109128
Energy: 1.3110179407924365
Energy: 1.2775569434466392
Energy: 1.3110179407943492
Energy: 1.2775570675152317
Energy: 1.243846320532885
Energy: 1.2589848218017379
Energy: 1.2438463205341599
Energy: 1.2589848218017379
Energy: 1.243846320532885
Energy: 1.258984821803013
Energy: 1.2438463205316095
Energy: 1.2748091374157273
Energy: 1.2948387581925842
Energy: 1.2748088037969514
Energy: 1.2948387581881209
Energy: 1.2748091308658278
Energy: 1.2948387581811072
Energy: 1.2748088186768716
Energy: 1.3047663467992625
Energy: 1.3430839124251837
Energy: 1.3047663467999
Energy: 1.3430839124251837
Energy: 1.3047663467992625
Energy: 1.343083912426459
Energy: 1.3047663467979873
Energy: 1.258226281106525
Energy: 1.2605675736527702
Energy: 1.258339202758338
Energy: 1.2605675736502198
Energy: 1.2582262811071627
Energy: 1.260567573654683
Energy: 1.258339202758338
Energy: 1.2662450586580019
Energy: 1.276867793620864
Energy: 1.2663537645631042
Energy: 1.27956582775686
Energy: 1.2662450586580019
Energy: 1.2768677936278776
Energy: 1.2663537645643794
Energy: 1.3997272071160167
Energy: 1.3159223528205857
Energy: 1.2435354495786566
Energy: 1.3159223528231363
Energy: 1.4373858300472908
Energy: 1.315922352818673
Energy: 1.3500857278387077
Energy: 1.3482251956643472
Energy: 1.3595058770949726
Energy: 1.3482424018657495
Energy: 1.359614931877373
Energy: 1.3482251956643472
Energy: 1.3595058770726849
Energy: 1.3482424018657495
Energy: 1.247944196541642
Energy: 1.249651185602815
Energy: 1.2479441965422795
Energy: 1.2496511855996266
Energy: 1.247944196539729
Energy: 1.249651185598989
Energy: 1.247944196539729
Energy: 1.2460384246263279
Energy: 1.2496116834195925
Energy: 1.2460384246314287
Energy: 1.2649510076739996
Energy: 1.2460384246295158
Energy: 1.2496116834189548
Energy: 1.2460384246282405
Energy: 1.401664863143582
Energy: 1.311015833045562
Energy: 1.3827303651299874
Energy: 1.3637599743644842
Energy: 1.4016648631410313
Energy: 1.311015833045562
Energy: 1.3827303651319
Energy: 1.353647280438893
Energy: 1.3800090859936152
Energy: 1.340517675181787
Energy: 1.4011139141873326
Energy: 1.3536472804401685
Energy: 1.3800090859948904
Energy: 1.3405176751811494
Energy: 1.2540527992110504
Energy: 1.2510394181639033
Energy: 1.2540763596769702
Energy: 1.2656891982575553
Energy: 1.254052799211688
Energy: 1.2510394181619904
Energy: 1.2540763596782456
Energy: 1.3656292415497273
Energy: 1.2544061090173388
Energy: 1.3689584047529169
Energy: 1.2545819133087537
Energy: 1.3656292415516398
Energy: 1.2544061090192513
Energy: 1.3689584047516414
Energy: 1.332846145756059
Energy: 1.344745962446059
Energy: 1.3328461457554215
Energy: 1.3447459624454212
Energy: 1.3328461457547838
Energy: 1.3447459624466966
Energy: 1.3328461457547838
Energy: 1.3028205387259366
Energy: 1.2979335127627143
Energy: 1.3028205387259366
Energy: 1.2979335127550629
Energy: 1.3028205387272118
Energy: 1.2979335127722786
Energy: 1.302820538725299
Energy: 1.2587904123358846
Energy: 1.2353722968205683
Energy: 1.2587904123365221
Energy: 1.2353722968180467
Energy: 1.2587904123371598
Energy: 1.2353722968199308
Energy: 1.2587904123358846
Energy: 1.3550494560212982
Energy: 1.270556445942662
Energy: 1.2933805323379441
Energy: 1.27078762482049
Energy: 1.3550494560212982
Energy: 1.270556445942024
Energy: 1.2933805323404945
Energy: 1.3315903150889177
Energy: 1.3337280426039957
Energy: 1.266017938496553
Energy: 1.3337280426027494
Energy: 1.3315903150889177
Energy: 1.3337280426039957
Energy: 1.2660179384940025
Energy: 1.2349516104842122
Energy: 1.2480874431348137
Energy: 1.234928965810468
Energy: 1.2482566351088302
Energy: 1.2349516104835745
Energy: 1.2480874430984692
Energy: 1.2349289658091926
Energy: 1.2371118734028042
Energy: 1.3117585208930311
Energy: 1.2372820830741869
Energy: 1.3119851686874042
Energy: 1.237111873404717
Energy: 1.3117585208905096
Energy: 1.2372820830716365
Energy: 1.3634313588335838
Energy: 1.3009451053082297
Energy: 1.3634313588354965
Energy: 1.3077782116198151
Energy: 1.3634313588348588
Energy: 1.3009451058588732
Energy: 1.3634313588354965
Energy: 1.3014973675338
Energy: 1.424667195116923
Energy: 1.3011697399978115
Energy: 1.3992328807787413
Energy: 1.3014973675338
Energy: 1.424667195116923
Energy: 1.301169739995261
Energy: 1.2394656247449058
Energy: 1.2633147324222613
Energy: 1.2394656247442684
Energy: 1.263314732422899
Energy: 1.2394656247449058
Energy: 1.263314732422899
Energy: 1.239465624746181

minimum gb energy = 1.2073335589909515 eV
minimum distance =  2.30832798778839 Angstroms
sigma value = 39


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

Energy: 1.2439809908618424
Energy: 1.2411371694031015
Energy: 1.2439809908618424
Energy: 1.2411371694046067
Energy: 1.2439809908618424
Energy: 1.2411371694000917
Energy: 1.2439809908625952
Energy: 1.282365944300657
Energy: 1.1537780430439197
Energy: 1.2823659442961421
Energy: 1.153778043046177
Energy: 1.2823659442983997
Energy: 1.1537780430439197
Energy: 1.2823659442976472
Energy: 1.208085255004736
Energy: 1.1957865528504397
Energy: 1.2080852550054886
Energy: 1.1957865528474296
Energy: 1.208085255004736
Energy: 1.1957865528504397
Energy: 1.208085255006241
Energy: 1.2829580703937022
Energy: 1.1547583210101748
Energy: 1.2829580703937022
Energy: 1.154758321007917
Energy: 1.282958070396712
Energy: 1.1547583210086698
Energy: 1.2829580703937022
Energy: 1.2841589617146836
Energy: 1.1551181812631532
Energy: 1.2841589617154363
Energy: 1.1551181812631532
Energy: 1.2841589617146836
Energy: 1.1551181812631532
Energy: 1.2841589617146836
Energy: 1.289258314331123
Energy: 1.1511755907585097
Energy: 1.289258314334133
Energy: 1.1511755907570047
Energy: 1.289258314331123
Energy: 1.1511755907585097
Energy: 1.289258314332628
Energy: 1.2858813509529086
Energy: 1.1859343827008682
Energy: 1.3052005589797522
Energy: 1.1859343826986106
Energy: 1.2726030601217837
Energy: 1.1859343827001154
Energy: 1.2276961900562298
Energy: 1.2085161980739774
Energy: 1.159238693115942
Energy: 1.2085161980732249
Energy: 1.1592386931151897
Energy: 1.2085161980739774
Energy: 1.159238693115942
Energy: 1.2085161980747299
Energy: 1.283918206866215
Energy: 1.1530453943216437
Energy: 1.2839182068669672
Energy: 1.1530453943246537
Energy: 1.2839182068669672
Energy: 1.1530453943216437
Energy: 1.2839182068654622
Energy: 1.209061083257338
Energy: 1.215686075251378
Energy: 1.209061083257338
Energy: 1.2156860752491547
Energy: 1.2090610832580906
Energy: 1.2156860752521306
Energy: 1.209061083257338
Energy: 1.2707321600992032
Energy: 1.154259401214651
Energy: 1.2707321601097383
Energy: 1.1542594012176612
Energy: 1.2707321600984507
Energy: 1.1542594012169085
Energy: 1.2707321600999557
Energy: 1.2080583060446493
Energy: 1.158803566797936
Energy: 1.208058306038629
Energy: 1.1588035667986885
Energy: 1.208058306046154
Energy: 1.158803566797936
Energy: 1.2080583060484118
Energy: 1.2299194164805116
Energy: 1.1525625571322697
Energy: 1.2299194166437388
Energy: 1.1525625571315175
Energy: 1.2299194164925518
Energy: 1.1525625571322697
Energy: 1.2299194165767993
Energy: 1.2088947157947818
Energy: 1.1588123541953073
Energy: 1.2088947157917715
Energy: 1.1588123541922972
Energy: 1.2088947157947818
Energy: 1.1588123541945548
Energy: 1.208894715791019
Energy: 1.3228611376561483
Energy: 1.2169377183699437
Energy: 1.2685522332365615
Energy: 1.216937718367686
Energy: 1.2685522332380665
Energy: 1.2169377183699437
Energy: 1.2685522332373143
Energy: 1.2090883277240192
Energy: 1.158828093162755
Energy: 1.2090883277217617
Energy: 1.1588280931650128
Energy: 1.2090883277240192
Energy: 1.1588280931635078
Energy: 1.2090883277217617
Energy: 1.300660240770064
Energy: 1.1525989495230524
Energy: 1.3006602407670542
Energy: 1.1525989495238051
Energy: 1.300660240768559
Energy: 1.1525989495238051
Energy: 1.300660240768559
Energy: 1.2081120398778626
Energy: 1.1588061294840086
Energy: 1.2081120398778626
Energy: 1.1588061294840086
Energy: 1.20811203987711
Energy: 1.1588061294847611
Energy: 1.20811203987711
Energy: 1.2209018431030993
Energy: 1.1543127614903652
Energy: 1.2209018430925642
Energy: 1.1543127614835924
Energy: 1.220901843094069
Energy: 1.1543127614820876
Energy: 1.2209018431106247
Energy: 1.209076920652998
Energy: 1.2149952442876888
Energy: 1.2090769206522454
Energy: 1.2149952442884415
Energy: 1.2090769206537504
Energy: 1.2149952442906988
Energy: 1.2090769206522454
Energy: 1.2840097700822137
Energy: 1.1530429813061758
Energy: 1.2840097700822137
Energy: 1.1530429813091856
Energy: 1.2840097700829665
Energy: 1.153042981305423
Energy: 1.2840097700829665
Energy: 1.2085919977006216
Energy: 1.1592334045481913
Energy: 1.2085919977021269
Energy: 1.1592334045466863
Energy: 1.2085919976998694
Energy: 1.1592334045481913
Energy: 1.2085919977013744
Energy: 1.221750066261067
Energy: 1.18585788245834
Energy: 1.2217500662625722
Energy: 1.1858578824590924
Energy: 1.221750066261067
Energy: 1.18585788245834
Energy: 1.2217500662625722
Energy: 1.2890510524980088
Energy: 1.1512619068783145
Energy: 1.2890510524965035
Energy: 1.1512619068768095
Energy: 1.2890510524980088
Energy: 1.1512619068783145
Energy: 1.2890510524949985
Energy: 1.2840306598515734
Energy: 1.1548973568469674
Energy: 1.2840306598523261
Energy: 1.1548973568439573
Energy: 1.2840306598523261
Energy: 1.1548973568469674
Energy: 1.2840306598523261
Energy: 1.2826618330843413
Energy: 1.1547938981781483
Energy: 1.2826618330858461
Energy: 1.1547938981759247
Energy: 1.2826618330850938
Energy: 1.1547938981781483
Energy: 1.2826618330850938
Energy: 1.208270411989636
Energy: 1.1956189817993976
Energy: 1.2082704119888832
Energy: 1.19561898179714
Energy: 1.208270411989636
Energy: 1.1956189817993976
Energy: 1.2082704119888832
Energy: 1.2949888790873656
Energy: 1.1541199707148906
Energy: 1.2949888790873656
Energy: 1.154119970715643
Energy: 1.2949888790858604
Energy: 1.1541199707148906
Energy: 1.294988879089623
Energy: 1.2439809908618424
Energy: 1.2411371694023492
Energy: 1.2439809908633475
Energy: 1.241137169400844
Energy: 1.2439809908625952
Energy: 1.241137169399339
Energy: 1.2439809908633475
Energy: 1.2823659443066773
Energy: 1.153778043044672
Energy: 1.2823659443059248
Energy: 1.153778043049187
Energy: 1.282365944305172
Energy: 1.1537780430454245
Energy: 1.2823659443021622

minimum gb energy = 1.1511755907570047 eV
minimum distance =  2.32880800374002 Angstroms
sigma value = 21


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

Energy: 1.2287195087470404
Energy: 1.3102779073043798
Energy: 1.2287195087443
Energy: 1.310277907303466
Energy: 1.2287195087443
Energy: 1.310277907305293
Energy: 1.2287195087488674
Energy: 1.1498072101554133
Energy: 1.2136135310685197
Energy: 1.1498072101563266
Energy: 1.2136135310657792
Energy: 1.1498072101554133
Energy: 1.2136135310666927
Energy: 1.1498072101554133
Energy: 1.1367733781042306
Energy: 1.2080317992289558
Energy: 1.1367733781051441
Energy: 1.2080317992280423
Energy: 1.1367733781060576
Energy: 1.2080317992280423
Energy: 1.1367733781069713
Energy: 1.1474944599871375
Energy: 1.202028585466971
Energy: 1.1474944599871375
Energy: 1.2020285854660573
Energy: 1.1474944599871375
Energy: 1.2020285854660573
Energy: 1.1474944599871375
Energy: 1.117450869148331
Energy: 1.096685903162385
Energy: 1.1174508691492444
Energy: 1.096685903160558
Energy: 1.117450869148331
Energy: 1.096685903160558
Energy: 1.117450869148331
Energy: 1.072851602322438
Energy: 1.1751238048274686
Energy: 1.072851602322438
Energy: 1.1751238048274686
Energy: 1.072851602322438
Energy: 1.175123804828382
Energy: 1.0728516023215244
Energy: 1.072039735768699
Energy: 1.2431811891916447
Energy: 1.0720397357696125
Energy: 1.2866955215112477
Energy: 1.072039735768699
Energy: 1.2871433144293591
Energy: 1.0720397357696125
Energy: 1.096818905592138
Energy: 1.1667036353121465
Energy: 1.0968189055912245
Energy: 1.166703635311233
Energy: 1.0968189055912245
Energy: 1.16670363531306
Energy: 1.096818905592138
Energy: 1.072949462967043
Energy: 1.1119526028176203
Energy: 1.072949462967043
Energy: 1.111952602816707
Energy: 1.072949462967043
Energy: 1.1119526028176203
Energy: 1.072949462967043
Energy: 1.1474972645764763
Energy: 1.21307226151362
Energy: 1.1474972645755628
Energy: 1.2130722615337173
Energy: 1.1474972645755628
Energy: 1.2130722614341853
Energy: 1.1474972645755628
Energy: 1.143724187765262
Energy: 1.1241715001343546
Energy: 1.1435784626931906
Energy: 1.1241715001352681
Energy: 1.1435669604988994
Energy: 1.1241715001343546
Energy: 1.1435756513614133
Energy: 1.1621551002017385
Energy: 1.16111816259612
Energy: 1.1621551002026522
Energy: 1.1611181625988607
Energy: 1.1621551002026522
Energy: 1.161118162597947
Energy: 1.1621551002017385
Energy: 1.1588282523905498
Energy: 1.1949224411144839
Energy: 1.158828252392377
Energy: 1.1949224411153974
Energy: 1.1588282523951174
Energy: 1.1949224411144839
Energy: 1.1588282523932905
Energy: 1.1852078595545126
Energy: 1.2476649086516418
Energy: 1.1852078541004893
Energy: 1.2476649115206537
Energy: 1.185207854385383
Energy: 1.2476649127442299
Energy: 1.1852078532102024
Energy: 1.2168363030692537
Energy: 1.2079907209814542
Energy: 1.2168363027295699
Energy: 1.2079907209805407
Energy: 1.2168363029441431
Energy: 1.2079907209814542
Energy: 1.2168363029441431
Energy: 1.180880093231183
Energy: 1.2403493080031975
Energy: 1.180880093231183
Energy: 1.2403493080835664
Energy: 1.180880093231183
Energy: 1.2403493079968029
Energy: 1.180880093231183
Energy: 1.1499622942684384
Energy: 1.210352587572541
Energy: 1.1499622942693521
Energy: 1.210352587572541
Energy: 1.1499622942693521
Energy: 1.2103525875734544
Energy: 1.1499622942684384
Energy: 1.1370750093375315
Energy: 1.1558146581328625
Energy: 1.1370750093375315
Energy: 1.1558146581483923
Energy: 1.137075009338445
Energy: 1.1558146581429112
Energy: 1.1370750093393585
Energy: 1.097489131778614
Energy: 1.124322850109868
Energy: 1.0974891317795272
Energy: 1.124322850109868
Energy: 1.0974891317777002
Energy: 1.124322850109868
Energy: 1.097489131778614
Energy: 1.0970777885069916
Energy: 1.0980849905400782
Energy: 1.0970777885060778
Energy: 1.0980849905419052
Energy: 1.0970777885060778
Energy: 1.0980849905419052
Energy: 1.0970777885060778
Energy: 1.0727918902988811
Energy: 1.1116419427573214
Energy: 1.0727918902979674
Energy: 1.1116419427573214
Energy: 1.0727918902979674
Energy: 1.1116419427573214
Energy: 1.0727918902997944
Energy: 1.0720296185071299
Energy: 1.2561148828765438
Energy: 1.0720296185062164
Energy: 1.256114832523783
Energy: 1.0720296185053027
Energy: 1.2561148828427644
Energy: 1.0720296185053027
Energy: 1.0721885234578756
Energy: 1.1668924147684172
Energy: 1.0721885234578756
Energy: 1.1668924147757254
Energy: 1.0721885234569621
Energy: 1.166892414744666
Energy: 1.0721885234569621
Energy: 1.0718055600575471
Energy: 1.0980985310823292
Energy: 1.0718055600575471
Energy: 1.0980985310823292
Energy: 1.0718055600584604
Energy: 1.0980985310814158
Energy: 1.07180556005572
Energy: 1.1472029857815134
Energy: 1.2100568491699488
Energy: 1.1472029857906485
Energy: 1.2100568493489157
Energy: 1.1472029857888215
Energy: 1.210056847958248
Energy: 1.1472029858171409

minimum gb energy = 1.07180556005572 eV
minimum distance =  2.31463148108553 Angstroms
sigma value = 113


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

Energy: 1.05346389352753
Energy: 1.087282131939363
Energy: 1.0534638935254905
Energy: 1.0872821309038416
Energy: 1.0534638935270202
Energy: 1.087282133138449
Energy: 1.0534638935265104
Energy: 1.040719809486318
Energy: 0.9968740054954479
Energy: 1.0407198094847885
Energy: 0.9968740054934087
Energy: 1.040719809486318
Energy: 0.9968740054954479
Energy: 1.0407198094837689
Energy: 1.0326196009475619
Energy: 1.0177749022426703
Energy: 1.0326196009470523
Energy: 1.0177749022452194
Energy: 1.0326196009480717
Energy: 1.01777490224369
Energy: 1.0326196009470523
Energy: 1.0110265171774548
Energy: 0.985479454758792
Energy: 1.011026517178984
Energy: 0.9854794547542035
Energy: 1.0110265171774548
Energy: 0.9854794547582821
Energy: 1.0110265171784742
Energy: 1.0070936474754162
Energy: 1.0255635054226901
Energy: 1.0070936474784753
Energy: 1.0255635054211603
Energy: 1.0070936474774557
Energy: 1.0255635054237096
Energy: 1.007093647476436
Energy: 0.9977628736952048
Energy: 1.01273551251044
Energy: 0.9977628736962244
Energy: 1.0127355125109498
Energy: 0.997762873694695
Energy: 1.01273551251044
Energy: 0.9977628736967342
Energy: 0.9823608051070449
Energy: 1.0012229051831985
Energy: 0.982360805103476
Energy: 1.0012229051796295
Energy: 0.9823608051070449
Energy: 1.0012229051826889
Energy: 0.982360805103476
Energy: 0.9915833282797811
Energy: 0.9578296959589188
Energy: 0.9915833282762122
Energy: 0.9578296959589188
Energy: 0.9915833282797811
Energy: 0.9578296959594286
Energy: 0.9915833282757024
Energy: 0.9813708760197071
Energy: 0.9913369184813082
Energy: 0.9813708760176676
Energy: 0.9913369184869163
Energy: 0.9813708760207267
Energy: 0.9913369184879359
Energy: 0.9813708760171578
Energy: 1.007595110569637
Energy: 0.9554334932471507
Energy: 1.0075951105681074
Energy: 0.9554334932430721
Energy: 1.0075951105691272
Energy: 0.9554334932471507
Energy: 1.0075951105675975
Energy: 0.9789380530913476
Energy: 0.9485353642007966
Energy: 0.9789380530933869
Energy: 0.9485353641982476
Energy: 0.9789380530923671
Energy: 0.9485353642002868
Energy: 0.9789380530944066
Energy: 0.975729750492464
Energy: 0.9624652164192466
Energy: 0.975729750492464
Energy: 0.9624652164207761
Energy: 0.9757297504945033
Energy: 0.9624652164187368
Energy: 0.9757297504919542
Energy: 0.93603276346139
Energy: 1.009722792799961
Energy: 0.9360327634598606
Energy: 1.0097227927953725
Energy: 0.9360327634598606
Energy: 1.0097227928014905
Energy: 0.9360327634608802
Energy: 0.9837435870666758
Energy: 0.9556665318941336
Energy: 0.9837435870676955
Energy: 0.9556665318982124
Energy: 0.983743587065656
Energy: 0.9556665318946436
Energy: 0.9837435870692249
Energy: 0.9675237018342128
Energy: 0.9437837058328586
Energy: 0.9675237018347225
Energy: 0.9437837058359178
Energy: 0.967523701833703
Energy: 0.9437837058303096
Energy: 0.9675237018347225
Energy: 0.9617737303362764
Energy: 1.0988181065283047
Energy: 0.9617737303332174
Energy: 1.0988181065328932
Energy: 0.9617737303357666
Energy: 1.0988181065293243
Energy: 0.9617737303327075
Energy: 0.9360971330541377
Energy: 0.9467913669329174
Energy: 0.9360971330592359
Energy: 0.9467913669278192
Energy: 0.9360971330541377
Energy: 0.9467913669334274
Energy: 0.9360971330587261
Energy: 0.9713251504615206
Energy: 0.953815381549956
Energy: 0.9713251504579518
Energy: 0.9538153815525052
Energy: 0.9713251504635598
Energy: 0.9538153815494462
Energy: 0.9713251504584615
Energy: 0.9803144497733626
Energy: 0.9436420407861199
Energy: 0.9803144497708133
Energy: 0.9436420407871395
Energy: 0.9803144497733626
Energy: 0.9436420407856101
Energy: 0.9803144497703035
Energy: 0.9787600934640001
Energy: 0.9807946149309454
Energy: 0.9787600934645099
Energy: 0.9807946149365536
Energy: 0.9787600934640001
Energy: 0.9807946149340043
Energy: 0.9787600934645099
Energy: 0.9524029835751594
Energy: 0.9473849014177214
Energy: 0.9524029835777087
Energy: 0.9473849014177214
Energy: 0.9524029835751594
Energy: 0.9473849014182312
Energy: 0.9524029835761791
Energy: 0.9774032330967432
Energy: 0.9608963742841051
Energy: 0.9774032330982727
Energy: 0.9608963742820658
Energy: 0.9774032330962334
Energy: 0.9608963742830856
Energy: 0.9774032330982727
Energy: 0.9874835122696736
Energy: 0.9903551368686063
Energy: 0.9874835122676341
Energy: 0.9903551368711556
Energy: 0.9874835122701834
Energy: 0.9903551368696261
Energy: 0.9874835122686538
Energy: 0.9645031103300014
Energy: 0.9999764607497315
Energy: 0.9645031103279621
Energy: 0.9999764300774037
Energy: 0.9645031103305113
Energy: 0.9999764662581289
Energy: 0.9645031103284718
Energy: 0.9755649318814497
Energy: 0.989506739135342
Energy: 0.9755649318865479
Energy: 0.9895067391307536
Energy: 0.975564931893176
Energy: 0.989506739135342
Energy: 0.9755649318860382
Energy: 1.0298794045863109
Energy: 0.9775698822010347
Energy: 1.0298794045847814
Energy: 0.9775698822000152
Energy: 1.0298794045852913
Energy: 0.9775698821954266
Energy: 1.0298794045847814
Energy: 1.0456626497370995
Energy: 0.9845543974229836
Energy: 1.0456626497355697
Energy: 0.9845543975004322
Energy: 1.0456626497365897
Energy: 0.9845543975131781
Energy: 1.0456626497279222
Energy: 1.0036603382563865
Energy: 1.1404391495340604
Energy: 1.0036603382538372
Energy: 1.1404391487023804
Energy: 1.0036603382558764
Energy: 1.1404391494703308
Energy: 1.0036603382548568
Energy: 1.0145081630153379
Energy: 0.9970593485281136
Energy: 1.0145081630138082
Energy: 0.9970593485281136
Energy: 1.0145081630153379
Energy: 0.9970593485291332
Energy: 1.0145081630138082
Energy: 1.0227914546938222
Energy: 0.9774176236280404
Energy: 1.0227914546907633
Energy: 0.9774176236290599
Energy: 1.0227914546938222
Energy: 0.9774176236280404
Energy: 1.0227914546928025
Energy: 0.993205814376283
Energy: 0.9902621918869046
Energy: 0.9932058143773026
Energy: 0.9902621918812964
Energy: 0.993205814376283
Energy: 0.9902621918858848
Energy: 0.9932058143773026
Energy: 0.9644945868711279
Energy: 1.000318349104128
Energy: 0.9644945868726573
Energy: 1.0003183489981287
Energy: 0.964494586870618
Energy: 1.0003183490582892
Energy: 0.9644945868731671
Energy: 1.095633169474228
Energy: 1.0090031211069748
Energy: 1.0956331694726986
Energy: 1.0090031211074846
Energy: 1.0956331694737182
Energy: 1.0090031211069748
Energy: 1.0956331694726986
Energy: 0.9700772140264824
Energy: 0.9613968795762621
Energy: 0.9700772140285219
Energy: 0.9613968795737128
Energy: 0.9700772140254628
Energy: 0.9613968795762621
Energy: 0.9700772140290317
Energy: 0.9878771281200057
Energy: 0.9577401181923892
Energy: 0.9878771281189861
Energy: 0.9577401181959581
Energy: 0.9878771281205155
Energy: 0.9577401181944285
Energy: 0.9878771281189861
Energy: 0.9531124353178985
Energy: 0.9732326032248757
Energy: 0.9531124353204476
Energy: 0.9732326032299741
Energy: 0.9531124353184083
Energy: 0.973232603325267
Energy: 0.9531124353209574
Energy: 0.9754657447265382
Energy: 0.9573660093491301
Energy: 0.9754657447336759
Energy: 0.9573660093491301
Energy: 0.9754657447484611
Energy: 0.9573660093486204
Energy: 0.9754657447280677
Energy: 0.9594730932370911
Energy: 0.9497772212622396
Energy: 0.9594730932386206
Energy: 0.9497772212652985
Energy: 0.9594730932370911
Energy: 0.9497772212617298
Energy: 0.9594730932386206
Energy: 0.9748249890889905
Energy: 0.983537666402168
Energy: 0.9748249890935791
Energy: 0.9835376663980895
Energy: 0.9748249890920494
Energy: 0.9835376664026779
Energy: 0.974824989096128
Energy: 0.9356511811463655
Energy: 1.0059112053052344
Energy: 0.9356511811417768
Energy: 1.0059112053113526
Energy: 0.935651181147385
Energy: 1.0059112053052344
Energy: 0.935651181141267
Energy: 0.9776507965693868
Energy: 0.9580129502873198
Energy: 0.9776507965724458
Energy: 0.9580129502873198
Energy: 0.9776507965693868
Energy: 0.9580129502873198
Energy: 0.9776507965724458
Energy: 0.9481634905116542
Energy: 0.9439806148801999
Energy: 0.9481634905142033
Energy: 0.9439806148807097
Energy: 0.9481634905106345
Energy: 0.9439806148791802
Energy: 0.9481634905136935
Energy: 0.9608732926989505
Energy: 1.1923631207440115
Energy: 0.9608732926964012
Energy: 1.1923631207394227
Energy: 0.9608732926994602
Energy: 1.1923631207440115
Energy: 0.9608732926964012
Energy: 0.9358445132968487
Energy: 0.9441335314243932
Energy: 0.9358445132932799
Energy: 0.9441335314223539
Energy: 0.9358445132968487
Energy: 0.9441335314243932
Energy: 0.9358445132942995
Energy: 0.9764725499772838
Energy: 0.9711316949574567
Energy: 0.9764725499742248
Energy: 0.9711316949584764
Energy: 0.9764725499793231
Energy: 0.9711316949574567
Energy: 0.9764725499757542

minimum gb energy = 0.935651181141267 eV
minimum distance =  2.34131518530679 Angstroms
sigma value = 365


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

Energy: 0.36680934011210653
Energy: 0.33708774669482844
Energy: 0.3668093401098076
Energy: 0.33708774669597796
Energy: 0.36680934011210653
Energy: 0.33708774669482844
Energy: 0.3668093401098076
Energy: 2.22931164056351
Energy: 1.0115925557336325
Energy: 2.362919512594381
Energy: 1.011592555730184
Energy: 1.7894962712844487
Energy: 1.0115925557290344
Energy: 1.7894391675654329
Energy: 0.36680934011210653
Energy: 0.33708774669597796
Energy: 0.366809340113256
Energy: 0.33708774669367897
Energy: 0.36680934011210653
Energy: 0.33708774669597796
Energy: 0.366809340113256
Energy: 2.229311640602566
Energy: 1.0115925557336325
Energy: 2.2293116405922473
Energy: 1.0115925557290344
Energy: 2.363221876806672
Energy: 1.0115925557336325
Energy: 1.7893618478306417
Energy: 0.36680934011095706
Energy: 0.33708774669482844
Energy: 0.36680934011210653
Energy: 0.33708774669712743
Energy: 0.36680934011095706
Energy: 0.33708774669482844
Energy: 0.36680934011210653
Energy: 1.9968195095232302
Energy: 1.0115925557313334
Energy: 2.016459004258993
Energy: 1.0115925557336325
Energy: 1.7893975610902588
Energy: 1.0115925557313334
Energy: 1.789461063055157
Energy: 0.366809340113256
Energy: 0.33708774669367897
Energy: 0.36680934011095706
Energy: 0.33708774669367897
Energy: 0.366809340113256
Energy: 0.33708774669482844
Energy: 0.36680934011095706
Energy: 1.9968195078537572
Energy: 1.011592555732483
Energy: 2.015966366573839
Energy: 1.0115925557313334
Energy: 1.7894717043438522
Energy: 1.0115925557290344
Energy: 1.7893487871110303
Energy: 0.36680934011095706
Energy: 0.33708774669712743
Energy: 0.36680934011210653
Energy: 0.33708774669482844
Energy: 0.36680934011095706
Energy: 0.33708774669712743
Energy: 0.36680934011210653
Energy: 2.0161699421501713
Energy: 1.0115925557290344
Energy: 2.016178759220302
Energy: 1.011592555730184
Energy: 2.016159031986046
Energy: 1.0115925557336325
Energy: 1.78938956949197
Energy: 0.36680934011095706
Energy: 0.33708774669367897
Energy: 0.366809340113256
Energy: 0.33708774669597796
Energy: 0.36680934011095706
Energy: 0.33708774669367897
Energy: 0.366809340113256
Energy: 1.789386240093488
Energy: 1.0115925557313334
Energy: 1.7894745901052933
Energy: 1.0115925557336325
Energy: 1.789367447789446
Energy: 1.011592555734782
Energy: 1.7893392703371596
Energy: 0.36680934011210653
Energy: 0.33708774669482844
Energy: 0.3668093401098076
Energy: 0.33708774669597796
Energy: 0.36680934011210653
Energy: 0.33708774669482844
Energy: 0.3668093401098076
Energy: 1.7893490855404477
Energy: 1.0115925557290344
Energy: 1.7893426968230277
Energy: 1.011592555730184
Energy: 1.7895188777792495
Energy: 1.0115925557290344
Energy: 1.789534129644217
Energy: 0.36680934011210653
Energy: 0.33708774669597796
Energy: 0.366809340113256
Energy: 0.33708774669367897
Energy: 0.36680934011210653
Energy: 0.33708774669597796
Energy: 0.366809340113256
Energy: 1.7894062599375975
Energy: 1.011592555730184
Energy: 1.7894746151069982
Energy: 1.011592555732483
Energy: 1.7893558579884599
Energy: 1.0115925557290344
Energy: 1.789338576496665
Energy: 0.3668093401098076
Energy: 0.33708774669597796
Energy: 0.36680934011210653
Energy: 0.33708774669712743
Energy: 0.3668093401098076
Energy: 0.33708774669482844
Energy: 0.36680934011210653
Energy: 1.789364832348889
Energy: 1.0115925557313334
Energy: 1.7894609042321485
Energy: 1.0115925557290344
Energy: 1.789520897191684
Energy: 1.011592555732483
Energy: 1.7895354050610142
Energy: 0.366809340113256
Energy: 0.33708774669482844
Energy: 0.36680934011095706
Energy: 0.33708774669367897
Energy: 0.366809340113256
Energy: 0.33708774669367897
Energy: 0.36680934011095706
Energy: 1.7895320665132173
Energy: 1.011592555730184
Energy: 1.7895350009946929
Energy: 1.0115925557313334
Energy: 1.7895215159339282
Energy: 1.0115925557290344
Energy: 1.7894858297867093

minimum gb energy = 0.33708774669367897 eV
minimum distance =  2.33217027340437 Angstroms
sigma value = 23