Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.518474650382997
cohesive_energy=4.34606645024629
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.020073099794795414
Energy: 0.487791982031518
Energy: 0.487791982031518
Energy: 0.020073099794795414
Energy: 0.487791982031518
Energy: 0.4877919820284663
Energy: 0.020073099793269503
Energy: 0.487791982031518
Energy: 0.487791982031518
Energy: 0.020073099793269503
Energy: 0.4838998367567756
Energy: 0.023099128486958553
Energy: 0.48375049039557255
Energy: 0.4838998367567756
Energy: 0.023099128480854908
Energy: 0.48375049039557255
Energy: 0.4838998367613533
Energy: 0.023099128480854908
Energy: 0.48375049039709855
Energy: 0.4838998367598274
Energy: 0.020993655623451943
Energy: 0.7798794445078809
Energy: 0.5547750932257645
Energy: 0.020972465881092674
Energy: 0.7798794445094068
Energy: 0.5547750932257645
Energy: 0.021267855369756786
Energy: 0.5552612282305784
Energy: 0.8336301264153015
Energy: 0.02097723318917148
Energy: 0.4838998367552496
Energy: 0.4837504903925207
Energy: 0.023099128482380816
Energy: 0.4838998367567756
Energy: 0.48375049039709855
Energy: 0.02309912848543264
Energy: 0.4838998367552496
Energy: 0.48375049039557255
Energy: 0.023099128482380816
Energy: 0.4838998367537237
Energy: 0.020073099794795414
Energy: 0.487791982033044
Energy: 0.48779198203456986
Energy: 0.020073099794795414
Energy: 0.487791982033044
Energy: 0.4877919820299922
Energy: 0.020073099793269503
Energy: 0.4877919820299922
Energy: 0.4877919820299922
Energy: 0.020073099794795414
Energy: 0.4838998367552496
Energy: 0.02309912848848446
Energy: 0.4837504903940467
Energy: 0.48389983675830145
Energy: 0.023099128482380816
Energy: 0.48375049039557255
Energy: 0.4838998367567756
Energy: 0.023099128479328997
Energy: 0.48375049039557255
Energy: 0.48389983675219783
Energy: 0.021256539225025288
Energy: 0.27672913326120924
Energy: 0.020179062599727807
Energy: 0.02094392848872748
Energy: 0.27672913325968335
Energy: 0.02017906260125372
Energy: 0.021321960655441657
Energy: 0.27672913325968335
Energy: 0.020179062599727807
Energy: 0.020982071234473255

minimum gb energy = 0.020073099793269503 eV
minimum distance =  2.48290154281014 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.4276198528742658
Energy: 1.4294630445964027
Energy: 1.3005191306538852
Energy: 1.4276198528668582
Energy: 1.429463044603878
Energy: 1.3337872506616504
Energy: 1.4276198528780033
Energy: 1.429463044592665
Energy: 1.3005191306538852
Energy: 1.2139959888660599
Energy: 1.2156973606148456
Energy: 1.3897437164789062
Energy: 1.2139959888697973
Energy: 1.215697360611108
Energy: 1.3897437164789062
Energy: 1.21399598886239
Energy: 1.2156973606260586
Energy: 1.3897437164863815
Energy: 1.2139959888697973
Energy: 1.2376586576351907
Energy: 1.4154851640835673
Energy: 1.3600102332207522
Energy: 1.2386461241786613
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Energy: 1.3600102332058015
Energy: 1.2376586576351907
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Energy: 1.3600102332207522
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Energy: 1.4061937682948
Energy: 1.4162927919288633
Energy: 1.0974489397688028
Energy: 1.4061937683022756
Energy: 1.4162927919251256
Energy: 1.0974489397575897
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Energy: 1.4162927919251256
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Energy: 1.4061937682948
Energy: 1.036119401931254
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Energy: 1.405218829668679
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Energy: 1.0361194019163034
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Energy: 1.0974349947167066
Energy: 1.413462370828951
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Energy: 1.350002495422451
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Energy: 1.3502705633150922
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Energy: 1.415935334671789
Energy: 1.40586234308078
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Energy: 1.4058623430583537
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Energy: 1.4190257313078847
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Energy: 1.415823612257232
Energy: 1.226667837537903
Energy: 1.4444119078118998
Energy: 1.097317581684557
Energy: 1.4084184674249043
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Energy: 1.408418467428642
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Energy: 1.444411907808162
Energy: 1.3528836505640875
Energy: 1.3704315051843956
Energy: 1.2157308834422753
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Energy: 1.3704315051806577
Energy: 1.2157554468581633
Energy: 1.3528836505640875
Energy: 1.370431505169445
Energy: 1.2157308834534883
Energy: 1.3528836505715627
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Energy: 1.1335912213288115
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Energy: 1.442922917942289
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Energy: 1.4429229179273384
Energy: 1.1411319761612826
Energy: 1.3209754067577464
Energy: 1.4065873217393152
Energy: 1.456277425211641
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Energy: 1.3658066807424076
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Energy: 1.3655323412594518
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Energy: 1.4565492556280915
Energy: 1.4064998629301122
Energy: 1.097883872045513
Energy: 1.4565492556318294
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Energy: 1.4565492556393047
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Energy: 1.4565492556280915
Energy: 1.43956019425392
Energy: 1.2760938469715517
Energy: 1.1033267673526221
Energy: 1.4395601942501823
Energy: 1.2762915559485544
Energy: 1.1033267673488845
Energy: 1.4395601942501823
Energy: 1.276093846945388
Energy: 1.1033267673638352
Energy: 1.43956019425392
Energy: 1.0367026525063505
Energy: 1.3289545882757807
Energy: 1.3738831362827297
Energy: 1.0367026524951373
Energy: 1.302106170570627
Energy: 1.4061017912523064
Energy: 1.0367026525063505
Energy: 1.3289545882757807
Energy: 1.3738831362827297
Energy: 1.0367026525175635
Energy: 1.4091481209076937
Energy: 1.0977526108892621
Energy: 1.4481034148127718
Energy: 1.4091481209076937
Energy: 1.0977526108855247
Energy: 1.4481034148165097
Energy: 1.4091481209002181
Energy: 1.0977526108743112
Energy: 1.4481034148202474
Energy: 1.4091481209114314
Energy: 1.2243350713075905
Energy: 1.3892027930445203
Energy: 1.227092208223731
Energy: 1.2243350712926397
Energy: 1.3892027930519955
Energy: 1.2270922082050424
Energy: 1.2243350712851642
Energy: 1.3892027930519955
Energy: 1.2270922082162554
Energy: 1.2243350712814265
Energy: 1.1372974556131124
Energy: 1.385118496705804
Energy: 1.2159413026868142
Energy: 1.1372974556093745
Energy: 1.385118496713279
Energy: 1.2159049903954255
Energy: 1.1372974556131124
Energy: 1.3851184967244923
Energy: 1.2159413026942896
Energy: 1.1372974556242574
Energy: 1.3048867645288913
Energy: 1.4276198528742658
Energy: 1.429463044592665
Energy: 1.3050363285209665
Energy: 1.4276198528705282
Energy: 1.4294630446001404
Energy: 1.3048867645139404
Energy: 1.4276198528854789
Energy: 1.429463044592665
Energy: 1.3050363285247042
Energy: 1.2139959888772727
Energy: 1.215697360611108
Energy: 1.3897437164751685
Energy: 1.21399598886239
Energy: 1.21569736060737
Energy: 1.3897437164826438
Energy: 1.2139959888660599
Energy: 1.2156973606260586
Energy: 1.3897437164826438
Energy: 1.2139959888735352
Energy: 1.232158053398931
Energy: 1.4154851640835673
Energy: 1.3600102332282276
Energy: 1.2319069031781082
Energy: 1.4154851640760924
Energy: 1.3600102332132769
Energy: 1.232158053410144
Energy: 1.4154851640873052
Energy: 1.3600102332282276
Energy: 1.2319069031781082
Energy: 1.4061937682948
Energy: 1.4162927919288633
Energy: 1.0974489397575897
Energy: 1.406193768298538
Energy: 1.4162927919288633
Energy: 1.097448939753852
Energy: 1.4061937682910624
Energy: 1.4162927919326007
Energy: 1.097448939765065
Energy: 1.4061937682948

minimum gb energy = 1.0361194019163034 eV
minimum distance =  2.25355369988171 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 1.1485954197041284
Energy: 1.1484230782692662
Energy: 1.344472412944662
Energy: 1.1485954197096
Energy: 1.1484230782710902
Energy: 1.3540261318471694
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Energy: 1.3444724129610763
Energy: 1.1520165087319456
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minimum gb energy = 1.1484230782692662 eV
minimum distance =  2.14691137616695 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.349823517445694
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Energy: 1.3028284061148805
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Energy: 1.407164615795029
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Energy: 1.2986813341392214
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Energy: 1.3293231031103554
Energy: 1.298681334137164
Energy: 1.2428489531802116
Energy: 1.3056822481850792
Energy: 1.3109190750794097
Energy: 1.2428489531884417
Energy: 1.3056822481891568
Energy: 1.310919075077352
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Energy: 1.3056822481912145
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Energy: 1.2428489531884417
Energy: 1.2791074177304393
Energy: 1.2427255568228466
Energy: 1.2953113392886613
Energy: 1.2791074177345543
Energy: 1.242725556820789
Energy: 1.2953113392804685
Energy: 1.279107417740727
Energy: 1.242725556816674
Energy: 1.2953113392866409
Energy: 1.2791074177386692
Energy: 1.3493058188168272
Energy: 1.243853522772253
Energy: 1.39005847756085
Energy: 1.3493058188168272
Energy: 1.2438535227743104
Energy: 1.3900584775546774
Energy: 1.349305818818885
Energy: 1.243853522776368
Energy: 1.3900584775587925
Energy: 1.34930581881477
Energy: 1.3052973921268824
Energy: 1.271620333591825
Energy: 1.3205020367577847
Energy: 1.3052973921186521
Energy: 1.27162033359594
Energy: 1.3205020367557272
Energy: 1.3052973921186521
Energy: 1.2716203335938827
Energy: 1.3205020367557272
Energy: 1.3052973921186521
Energy: 1.2993042986470698
Energy: 1.2776705520703138
Energy: 1.3261267486635078
Energy: 1.2993042986408971
Energy: 1.2776705520723712
Energy: 1.3261267486635078
Energy: 1.2993042986470698
Energy: 1.2776705520723712
Energy: 1.3261267486573352
Energy: 1.299304298651185
Energy: 1.3440508449190587
Energy: 1.298796860194165
Energy: 1.4008940435099708
Energy: 1.3440508449190587
Energy: 1.2987968602023952
Energy: 1.4008940435058554
Energy: 1.3391043565628797
Energy: 1.2987968602003377
Energy: 1.4008940435099708
Energy: 1.3325447940698314
Energy: 1.349640684792826
Energy: 1.242565683142805
Energy: 1.3343550848844237
Energy: 1.349640684792826
Energy: 1.2425656831448624
Energy: 1.3343550848844237
Energy: 1.349640684792826
Energy: 1.2425656831469198
Energy: 1.3343550848905963
Energy: 1.349640684792826

minimum gb energy = 1.2414696136723968 eV
minimum distance =  2.179166570313 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.2595427123832192
Energy: 1.2713188361296042
Energy: 1.2716828107719735
Energy: 1.2595427123796876
Energy: 1.2713188361352552
Energy: 1.2716828107620843
Energy: 1.2595427123811
Energy: 1.271318836121128
Energy: 1.2716828107684415
Energy: 1.2595427123818066
Energy: 1.2885627794202812
Energy: 1.2541163073552468
Energy: 1.2644534249390258
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Energy: 1.2644534249467958
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Energy: 1.1656461178910797
Energy: 1.19924622935381
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Energy: 1.1652030101998678
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Energy: 1.2962759511561182
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Energy: 1.2808461057594474
Energy: 1.1833735037042497
Energy: 1.3503225972323356
Energy: 1.2678328716995313
Energy: 1.1812698525316432
Energy: 1.2881840617508207
Energy: 1.2678328716938803
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Energy: 1.2678328717023566
Energy: 1.1812698525281113
Energy: 1.2881840617585905
Energy: 1.267832871707301
Energy: 1.2041230753078795
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Energy: 1.306801210862337
Energy: 1.204123075294459
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Energy: 1.3068012108708134
Energy: 1.2041230753043477
Energy: 1.204991445252472
Energy: 1.3068012108701068
Energy: 1.204123075302935
Energy: 1.1817693163419118
Energy: 1.2629448286210405
Energy: 1.2301238603360203
Energy: 1.1817693163369674
Energy: 1.2629448286189215
Energy: 1.2301238603240123
Energy: 1.181769316348269
Energy: 1.2629448286196279
Energy: 1.230123860325425
Energy: 1.1817693163510945
Energy: 1.2870781267404579
Energy: 1.2299515856381258
Energy: 1.2819472700537746
Energy: 1.2870781267418705
Energy: 1.2299515856353
Energy: 1.2819472673122017
Energy: 1.2870781267510534
Energy: 1.2299515856318326
Energy: 1.2819472593811994
Energy: 1.2870781267496407
Energy: 1.255269643210228
Energy: 1.2964182356946292
Energy: 1.2546379730557649
Energy: 1.2552696432130537
Energy: 1.2964182357016931
Energy: 1.254637973052233
Energy: 1.255269643219411
Energy: 1.2964182356939231
Energy: 1.2546379730550585
Energy: 1.2552696432095218
Energy: 1.2595427123860448
Energy: 1.271318836125366
Energy: 1.2716828107825688
Energy: 1.259542712382513
Energy: 1.2713188361281915
Energy: 1.2716828107684415
Energy: 1.2595427123839256
Energy: 1.271318836121128
Energy: 1.2716828107684415
Energy: 1.2595427123811

minimum gb energy = 1.1651292688859 eV
minimum distance =  2.2338198099467 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.3421216192613894
Energy: 1.1067373089221169
Energy: 1.1058397802841236
Energy: 1.387633745797211
Energy: 1.1067373089221169
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Energy: 1.1505988709451618
Energy: 1.235684196979018
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Energy: 1.1013375447642497
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Energy: 1.101337544761509
Energy: 1.1230266902280224
Energy: 1.09542534987957
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Energy: 1.1230266902335038
Energy: 1.09542534987957
Energy: 1.1245937748914487
Energy: 1.0602167987047562
Energy: 1.1255314616801597
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Energy: 1.0602167987102373
Energy: 1.125531461713047
Energy: 1.1245937748887083
Energy: 1.1792445644851062
Energy: 1.2619938141183067
Energy: 1.1443846820158603
Energy: 1.1792445644878466
Energy: 1.2619938141155662
Energy: 1.1442732984959585
Energy: 1.1792445644905873
Energy: 1.2619938141046039
Energy: 1.1443846820459571
Energy: 1.1792445644960685
Energy: 1.1179210221888922
Energy: 1.1135018729972783
Energy: 1.1092248917551466
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Energy: 1.1179210222080767
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Energy: 1.1092248917633187
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Energy: 1.115051372229874
Energy: 1.1575517261311772
Energy: 1.0576000914716497
Energy: 1.115051372238096
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Energy: 1.0576000914743904
Energy: 1.1150513722326145
Energy: 1.1575517261339179
Energy: 1.0576000914826122
Energy: 1.115051372221652
Energy: 1.1079402109623682
Energy: 1.1078033565816654
Energy: 1.0941316914562973
Energy: 1.1079402109623682
Energy: 1.1078033565844059
Energy: 1.0941316914700003
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Energy: 1.1078033565816654
Energy: 1.094131691459038
Energy: 1.1079402109596277
Energy: 1.1046541350335646
Energy: 1.0998606124528865
Energy: 1.2972633602889314
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Energy: 1.099860612447405
Energy: 1.206726788744394
Energy: 1.1046541350445271
Energy: 1.099860612447405
Energy: 1.2972633602944126
Energy: 1.1046541350363055
Energy: 1.1164696727231462
Energy: 1.1263950824749873
Energy: 1.0619129769054827
Energy: 1.1164696727286272
Energy: 1.0788547628912402
Energy: 1.084417700245229
Energy: 1.1164696727176646
Energy: 1.126395082461284
Energy: 1.061912976889039
Energy: 1.1164696727231462
Energy: 1.1162221107875985
Energy: 1.1657507021024385
Energy: 1.1718097079708294
Energy: 1.1162221107821173
Energy: 1.1657753435151559
Energy: 1.1717087791852434
Energy: 1.1162221107875985
Energy: 1.1657507021079194
Energy: 1.1718097079653484
Energy: 1.1162221107875985
Energy: 1.1298772119204483
Energy: 1.1260898357716145
Energy: 1.1143558209274318
Energy: 1.129877211923189
Energy: 1.1261114240414916
Energy: 1.1143558209082476
Energy: 1.129877211923189
Energy: 1.126089835766133
Energy: 1.1143558209137288
Energy: 1.129877211923189
Energy: 1.0985005952191143
Energy: 1.127114110286906
Energy: 1.094105879945177
Energy: 1.0985005952082016
Energy: 1.1270203906692005
Energy: 1.094105879945177
Energy: 1.0985005952109421
Energy: 1.1271141102704625
Energy: 1.0941058799396959
Energy: 1.0985005952082016
Energy: 1.2119751049708802
Energy: 1.1539509113318211
Energy: 1.1524432580682318
Energy: 1.2119751049763614
Energy: 1.1539509113235995
Energy: 1.1524432580572692
Energy: 1.2119751049681395
Energy: 1.1539509113208588
Energy: 1.1524432580764534
Energy: 1.2119751049708802

minimum gb energy = 1.0385510819459915 eV
minimum distance =  2.15135466248427 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.6768533254419975
Energy: 0.5898672253119968
Energy: 0.5896352520596471
Energy: 0.4945041632922643
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Energy: 0.7621588748002869
Energy: 0.5813265722814027
Energy: 0.7902254288977589
Energy: 0.7233739736069974
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Energy: 0.9304212431814031
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Energy: 0.7902254289023135
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Energy: 0.49463421398808743
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Energy: 0.49450416328546204
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Energy: 0.5896352520566895
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Energy: 0.7621588747986308
Energy: 0.5813265722811071
Energy: 0.8814103675150231
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Energy: 0.9304212431804567
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Energy: 0.7634262346536089
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Energy: 0.8922431860034253
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Energy: 0.8922431860011776
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Energy: 0.5907775678057906
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Energy: 0.61943327151009
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Energy: 0.4946431137482335
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Energy: 0.6768533254474983
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Energy: 0.7634262346607661
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Energy: 0.5910723641028832
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Energy: 0.494793984098076
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Energy: 0.6839872549853142
Energy: 0.5910723641074378
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Energy: 0.49479398410363606
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Energy: 0.8823592065286616
Energy: 0.8853985321118946
Energy: 0.7032686390676045
Energy: 0.8823592065280109
Energy: 0.8552003557723381
Energy: 0.7499472103589124
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Energy: 0.8853985321109482
Energy: 0.7032686390679593
Energy: 0.8823592065208538
Energy: 0.5907775677953804
Energy: 0.7025611139408617
Energy: 0.8922431859992257
Energy: 0.5907775677850291
Energy: 0.7939735229329142
Energy: 0.892243186000527
Energy: 0.5907775677850291
Energy: 0.7025611139538748
Energy: 0.8922431860014735
Energy: 0.5907775678038387
Energy: 0.8812483370155813
Energy: 0.5555009617358059
Energy: 0.6194332715130474
Energy: 0.8812483370285942
Energy: 0.6212955769212977
Energy: 0.6194332715136981
Energy: 0.881248337021437
Energy: 0.5555009617423122
Energy: 0.6194332715091436
Energy: 0.8812483370240396
Energy: 0.5735230362174454
Energy: 0.7607884059968162
Energy: 0.5902448058695491
Energy: 0.573511227613128
Energy: 0.7629151014823422
Energy: 0.5902448058627467
Energy: 0.5735230362213494
Energy: 0.7607884060049789
Energy: 0.5902448058558855
Energy: 0.5735112276053203
Energy: 0.5552725545283296
Energy: 0.5738129181781275
Energy: 0.5805743131462258
Energy: 0.4946342139922872
Energy: 0.49685579080526304
Energy: 0.5805743131446286
Energy: 0.5552725545260226
Energy: 0.5738129181816765
Energy: 0.58057431314593
Energy: 0.49463421398938884
Energy: 0.7711294397393481
Energy: 0.8403289676031225
Energy: 0.5806087128227082
Energy: 0.7238914915698518
Energy: 0.8403289675907599
Energy: 0.5806087128308117
Energy: 0.7711294397299433
Energy: 0.8403289675901093
Energy: 0.5806087128262571
Energy: 0.7238914915698518

minimum gb energy = 0.43485668821939844 eV
minimum distance =  2.23882836266567 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.1048127734995359
Energy: 1.0451629555892172
Energy: 1.0455004156404026
Energy: 1.0729244083698122
Energy: 1.045162955592789
Energy: 1.0455004156368306
Energy: 1.1048127735084328
Energy: 1.0451629555910031
Energy: 1.045500415651118
Energy: 1.0729244083644542
Energy: 0.9924669211198958
Energy: 1.001916182031228
Energy: 0.9777840420926274
Energy: 0.9924669211252535
Energy: 1.0019161820383715
Energy: 0.9777840421051289
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Energy: 1.001916182045483
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Energy: 0.9924669211181099
Energy: 1.092255611307839
Energy: 1.0235514047526768
Energy: 1.039630874049878
Energy: 1.0738565596807164
Energy: 1.0235514047580347
Energy: 1.0317304090885504
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Energy: 0.998038834665017
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Energy: 1.1415861532141947
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Energy: 0.9980388346489759
Energy: 1.1415861532195526
Energy: 0.9781957133246527
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Energy: 1.0444493650588877
Energy: 0.9781957133050073
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Energy: 1.0444493650553162
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Energy: 1.0020464051841562
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Energy: 1.0022245184575045
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Energy: 1.0369711977125802
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Energy: 1.0366921753421103
Energy: 1.0367798300306759
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Energy: 1.0369711977107943
Energy: 1.037078941992939
Energy: 1.068674772764555
Energy: 1.0024151808194406
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Energy: 1.0024151807962232
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Energy: 1.0983958081350154
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Energy: 1.0346922995459935
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Energy: 1.0030054181707706
Energy: 1.03469229953885
Energy: 1.0257311354581986
Energy: 0.962530521694414
Energy: 1.0016359002318558
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Energy: 0.9625305216997717
Energy: 1.001635900224712
Energy: 1.0257311354528407
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Energy: 1.0016359002158146
Energy: 1.0257311354617702
Energy: 1.0307793662704001
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Energy: 1.0214659937302315
Energy: 1.0307793662900455
Energy: 1.1262034849206253
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Energy: 1.0307793662811158
Energy: 1.1262034849170532
Energy: 1.0214659937123722
Energy: 1.030779366277544
Energy: 1.1093854115908284
Energy: 1.0073351761946834
Energy: 1.0286246442173346
Energy: 1.109385411621157
Energy: 1.0073351762303697
Energy: 1.0286246442280504
Energy: 1.1093854116157993
Energy: 1.0073351762910594
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Energy: 1.0027932588010566
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Energy: 1.0435497038012655
Energy: 0.9808904652212216
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Energy: 1.0435497037994796
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Energy: 1.065850146894417
Energy: 1.0212064623880277
Energy: 0.9353883716416513
Energy: 1.065850146889059
Energy: 1.0212064623737402

minimum gb energy = 0.923912981562554 eV
minimum distance =  2.18633360346117 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.2763997089088415
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Energy: 1.2230956682729839
Energy: 1.2763997089076595
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Energy: 1.273931260959608
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Energy: 1.3223584502471295
Energy: 1.2253132790307544
Energy: 1.2733051588592053
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Energy: 1.2253132790319365
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Energy: 1.2253132790307544
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Energy: 1.2507236537404267
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Energy: 1.2909815832263491
Energy: 1.2507236537416084
Energy: 1.2785552513822926
Energy: 1.290981583229895
Energy: 1.2507236537427906

minimum gb energy = 1.1966890690165835 eV
minimum distance =  2.21130962138458 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.4191445219020602
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minimum gb energy = 1.349836512759913 eV
minimum distance =  2.21034746228375 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.526890617618286
Energy: 1.3518859251787334
Energy: 1.5002047876235223
Energy: 1.5268906176145483
Energy: 1.3518859251894126
Energy: 1.4937889634596728
Energy: 1.438185213084431
Energy: 1.3785407421107174
Energy: 1.3833631192575369
Energy: 1.4074057275939325
Energy: 1.3785407421027083
Energy: 1.3833631192628761
Energy: 1.438185213082829
Energy: 1.378540742116057
Energy: 1.3833631192548668
Energy: 1.4074057275941751
Energy: 1.4620066267644363
Energy: 1.3520019783639456
Energy: 1.4755881064546368
Energy: 1.462006626769242
Energy: 1.3520019783719066
Energy: 1.4755881064640053
Energy: 1.4620066267625431
Energy: 1.352001978374576
Energy: 1.4755881064677427
Energy: 1.462006626765747
Energy: 1.415920581447193
Energy: 1.3744218183421382
Energy: 1.394440626348768
Energy: 1.4159205814418534
Energy: 1.3742595156731168
Energy: 1.3944406263541076
Energy: 1.4159205814391835
Energy: 1.3744218183528174
Energy: 1.3944406263460982
Energy: 1.4159205814391835
Energy: 1.4167801036531835
Energy: 1.3750099926537624
Energy: 1.5118891764937195
Energy: 1.4167801036505134
Energy: 1.3750203752017907
Energy: 1.511889176496389
Energy: 1.416780103655853
Energy: 1.3750099926564323
Energy: 1.5118891765097382
Energy: 1.416780103655853
Energy: 1.5994813552338742
Energy: 1.3837887318858277
Energy: 1.3696911520356765
Energy: 1.5994813552378548
Energy: 1.3837887318858277
Energy: 1.3696911520383463
Energy: 1.5994813552330491
Energy: 1.3837887318858277
Energy: 1.3696911520516466
Energy: 1.5994813552325153
Energy: 1.3460837102960137
Energy: 1.4430184172387597
Energy: 1.4485700392223453
Energy: 1.3460837102986836
Energy: 1.44301841723609
Energy: 1.4485877116863255
Energy: 1.3460837102960137
Energy: 1.4430184172440994
Energy: 1.4485700392196754
Energy: 1.3460837102960137
Energy: 1.3464962520104713
Energy: 1.3589628103097073
Energy: 1.3778440550867448
Energy: 1.3464962520131414
Energy: 1.3589628103070377
Energy: 1.3778440550843662
Energy: 1.3464962520211505
Energy: 1.358962810325726
Energy: 1.3778440550774247
Energy: 1.3464962520211505
Energy: 1.4942800497592512
Energy: 1.4340665312776986
Energy: 1.4487047433583184
Energy: 1.4942800497638142
Energy: 1.417005319219344
Energy: 1.4173865977979243
Energy: 1.4942800497587174
Energy: 1.4340665312670196
Energy: 1.4487047433556486
Energy: 1.4942800497571156
Energy: 1.346204036553323
Energy: 1.415942080335486
Energy: 1.3601938488311232
Energy: 1.3462040365559929
Energy: 1.4159420803293699
Energy: 1.3601938488311232
Energy: 1.346204036553323
Energy: 1.4159420803325737
Energy: 1.360193848833793
Energy: 1.3462040365506533
Energy: 1.346246432213133
Energy: 1.4459000951287961
Energy: 1.4263691471413331
Energy: 1.346246432213133
Energy: 1.4459000951287961
Energy: 1.4263691471306539
Energy: 1.346246432210463
Energy: 1.4459000951394751
Energy: 1.426369147144003
Energy: 1.346246432210463
Energy: 1.6119995333731747
Energy: 1.334950921622736
Energy: 1.3833907957926423
Energy: 1.6119995333739516
Energy: 1.3349509216093869
Energy: 1.3831161253577144
Energy: 1.6119995333731747
Energy: 1.334950921612057
Energy: 1.383390795797982
Energy: 1.6119995333763786
Energy: 1.4048019321697074
Energy: 1.4261404878626276
Energy: 1.3746883873712725
Energy: 1.4048019321590284
Energy: 1.4261404878652977
Energy: 1.3746883873739426
Energy: 1.4048019321750471
Energy: 1.4261404878706372
Energy: 1.3746883873792821
Energy: 1.404801932177717

minimum gb energy = 1.3349509216093869 eV
minimum distance =  2.20664016302117 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.362301082689126
Energy: 1.3608710197043192
Energy: 1.3610343644259992
Energy: 1.3623010826939514
Energy: 1.3608710197081797
Energy: 1.3610343644269642
Energy: 1.3623010826968465
Energy: 1.3608710197019067
Energy: 1.3610343644264817
Energy: 1.3623010826968465
Energy: 1.3594968930760378
Energy: 1.3598829404007444
Energy: 1.3600494803068832
Energy: 1.359496893081828
Energy: 1.359882940394954
Energy: 1.3600494803039882
Energy: 1.3594968930760378
Energy: 1.3598829404036397
Energy: 1.360049480302058
Energy: 1.3594968930852058
Energy: 1.3596309929576178
Energy: 1.3605743552142968
Energy: 1.3878162992225216
Energy: 1.3596309929566528
Energy: 1.3605743552133316
Energy: 1.3878162992230043
Energy: 1.359630992957135
Energy: 1.3605743552123666
Energy: 1.3878162992152836
Energy: 1.3596309929566528
Energy: 1.387906129533394
Energy: 1.3608234951471967
Energy: 1.3595760296793955
Energy: 1.3879061295338766
Energy: 1.3608234951476794
Energy: 1.3595760296779478
Energy: 1.3879061295329116
Energy: 1.3608234951443015
Energy: 1.359576029679878
Energy: 1.3879061295300166
Energy: 1.3600214238753983
Energy: 1.3592909927558643
Energy: 1.359548153290637
Energy: 1.3600214238763633
Energy: 1.3592909927534516
Energy: 1.3595481532872593
Energy: 1.3600214238729855
Energy: 1.3592909927563468
Energy: 1.3595481532891893
Energy: 1.3600214238864965
Energy: 1.3608710197115133
Energy: 1.3610343644255165
Energy: 1.3623010826968465
Energy: 1.3608710197014242
Energy: 1.3610343644259992
Energy: 1.3623010826896085
Energy: 1.3608710197081797
Energy: 1.3610343644317893
Energy: 1.3623010826987765
Energy: 1.3608710197038367
Energy: 1.3598829404017094
Energy: 1.3600494803073657
Energy: 1.35949689307266
Energy: 1.3598829403973667
Energy: 1.3600494803059182
Energy: 1.3594968930832756
Energy: 1.3598829404021922
Energy: 1.3600494803030232
Energy: 1.3594968930798979
Energy: 1.3598829403925414
Energy: 1.3605743552133316
Energy: 1.3878162992186613
Energy: 1.3596309929576178
Energy: 1.360574355213814
Energy: 1.3878162992162488
Energy: 1.3596309929561703
Energy: 1.360574355212849
Energy: 1.3878162992176961
Energy: 1.3596309929581003
Energy: 1.3605743552133316
Energy: 1.3608234951452665
Energy: 1.3595760296779478
Energy: 1.3879061295358068
Energy: 1.3608234951467142
Energy: 1.3595760296793955
Energy: 1.387906129530499
Energy: 1.3608234951457492
Energy: 1.3595760296765003
Energy: 1.387906129532429
Energy: 1.3608234951476794
Energy: 1.3592909927592416
Energy: 1.3595481532930498
Energy: 1.36002142386816
Energy: 1.3592909927553816
Energy: 1.3595481532911196
Energy: 1.360021423880706
Energy: 1.3592909927573114
Energy: 1.3595481532911196
Energy: 1.3600214238696078
Energy: 1.3592909927534516
Energy: 1.3610343644288945
Energy: 1.3623010826905735
Energy: 1.360871019706732
Energy: 1.3610343644288945
Energy: 1.362301082699259
Energy: 1.360871019702389
Energy: 1.3610343644269642
Energy: 1.3623010826949165
Energy: 1.3608710197062495
Energy: 1.3610343644269642
Energy: 1.3600494803035057
Energy: 1.3594968930798979
Energy: 1.3598829404007444
Energy: 1.3600494803035057
Energy: 1.3594968930760378
Energy: 1.3598829403988142
Energy: 1.3600494803068832
Energy: 1.359496893077003
Energy: 1.3598829404036397
Energy: 1.3600494803049532
Energy: 1.387816299221074
Energy: 1.3596309929566528
Energy: 1.3605743552147793
Energy: 1.3878162992215566
Energy: 1.359630992957135
Energy: 1.360574355213814
Energy: 1.387816299222039
Energy: 1.3596309929566528
Energy: 1.3605743552133316
Energy: 1.3878162992205916
Energy: 1.3595760296793955
Energy: 1.3879061295372546
Energy: 1.3608234951467142
Energy: 1.3595760296774653
Energy: 1.387906129532429
Energy: 1.3608234951471967
Energy: 1.359576029679878
Energy: 1.3879061295319466
Energy: 1.3608234951457492
Energy: 1.3595760296779478
Energy: 1.3595481532858118
Energy: 1.3600214238691253
Energy: 1.3592909927611718
Energy: 1.3595481532891893
Energy: 1.3600214238773285
Energy: 1.3592909927558643
Energy: 1.359548153287742
Energy: 1.360021423873468
Energy: 1.3592909927597243
Energy: 1.3595481532911196
Energy: 1.3623010826920212
Energy: 1.360871019705767
Energy: 1.3610343644279295
Energy: 1.3623010826949165
Energy: 1.360871019706732
Energy: 1.361034364428412
Energy: 1.362301082696364
Energy: 1.3608710197043192
Energy: 1.3610343644259992
Energy: 1.362301082697329
Energy: 1.3594968930760378
Energy: 1.3598829403959192
Energy: 1.3600494803030232
Energy: 1.3594968930813456
Energy: 1.359882940401227
Energy: 1.360049480310261
Energy: 1.3594968930774856
Energy: 1.3598829404017094
Energy: 1.3600494803068832
Energy: 1.3594968930837583
Energy: 1.3596309929576178
Energy: 1.360574355213814
Energy: 1.3878162992205916
Energy: 1.359630992957135
Energy: 1.3605743552123666
Energy: 1.3878162992181786
Energy: 1.3596309929576178
Energy: 1.360574355211884
Energy: 1.3878162992196263
Energy: 1.3596309929561703
Energy: 1.3879061295338766
Energy: 1.3608234951481617
Energy: 1.3595760296793955
Energy: 1.3879061295396673
Energy: 1.3608234951452665
Energy: 1.3595760296765003
Energy: 1.387906129532429
Energy: 1.3608234951467142
Energy: 1.3595760296793955
Energy: 1.387906129533394
Energy: 1.3600214238773285
Energy: 1.3592909927573114
Energy: 1.3595481532887068
Energy: 1.3600214238758808
Energy: 1.359290992757794
Energy: 1.359548153289672
Energy: 1.3600214238773285
Energy: 1.359290992757794
Energy: 1.3595481532935323
Energy: 1.360021423874433
Energy: 1.3608710197086622
Energy: 1.3610343644279295
Energy: 1.3623010826939514
Energy: 1.3608710197043192
Energy: 1.3610343644245515
Energy: 1.3623010826982942
Energy: 1.3608710197091447
Energy: 1.3610343644298595
Energy: 1.3623010826939514
Energy: 1.3608710197028715
Energy: 1.3598829403997794
Energy: 1.3600494803049532
Energy: 1.3594968930774856
Energy: 1.359882940404605
Energy: 1.3600494803083307
Energy: 1.359496893082793
Energy: 1.3598829403997794
Energy: 1.3600494803064005
Energy: 1.3594968930755553
Energy: 1.3598829404036397

minimum gb energy = 1.3592909927534516 eV
minimum distance =  2.22542067859311 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.4163892248824332
Energy: 1.3682766274707199
Energy: 1.3728252802842735
Energy: 1.416389224873684
Energy: 1.368276627472907
Energy: 1.372825280275564
Energy: 1.4163892248715364
Energy: 1.3682766274750946
Energy: 1.3728252802777117
Energy: 1.416389224873684
Energy: 1.3913013288020697
Energy: 1.3601528491036778
Energy: 1.3536664955953999
Energy: 1.3913013287998826
Energy: 1.3601528490993031
Energy: 1.3536664955757538
Energy: 1.391301328804257
Energy: 1.360152849116802
Energy: 1.353666495582276
Energy: 1.3913013288020697
Energy: 1.3985721267905753
Energy: 1.4139488276847572
Energy: 1.408872895851065
Energy: 1.398572126803699
Energy: 1.4139488276847572
Energy: 1.4088728958641887
Energy: 1.3985721267905753
Energy: 1.4139488276935062
Energy: 1.4088728958488776
Energy: 1.3985721267818259
Energy: 1.3339928675236055
Energy: 1.4123900303859613
Energy: 1.3314871362063572
Energy: 1.3339928675126687
Energy: 1.4123900303859613
Energy: 1.3314871361757346
Energy: 1.333992867514856
Energy: 1.4123900303881487
Energy: 1.331487136184484
Energy: 1.333992867514856
Energy: 1.3957494735984537
Energy: 1.3606667863665698
Energy: 1.3929655051398409
Energy: 1.3957494735875169
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Energy: 1.3929655051245295
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Energy: 1.3606667863731317
Energy: 1.392965505107031
Energy: 1.3957494735918916
Energy: 1.4076490383421274
Energy: 1.4677618694592311
Energy: 1.3253320676124773
Energy: 1.4076490383246287
Energy: 1.467761869457044
Energy: 1.325332067614665
Energy: 1.4076490383158795
Energy: 1.467761869457044
Energy: 1.3253320675993534
Energy: 1.4076490383443145
Energy: 1.39278080263045
Energy: 1.486499624934554
Energy: 1.3913645127926468
Energy: 1.3930886807528438
Energy: 1.4864996249279918
Energy: 1.3913645127860845
Energy: 1.3927808026260755
Energy: 1.4864996249301794
Energy: 1.391364512794834
Energy: 1.3930886807615932
Energy: 1.3600331565927397
Energy: 1.4181614671073948
Energy: 1.462127038788515
Energy: 1.360033156594927
Energy: 1.4181614671183314
Energy: 1.462127038773204
Energy: 1.3600331566080113
Energy: 1.418161467116144
Energy: 1.4621270387775784
Energy: 1.3600331566014892
Energy: 1.5371877515822565
Energy: 1.3812662198807595
Energy: 1.3805041790184835
Energy: 1.537187751580109
Energy: 1.4024256340404302
Energy: 1.4020350226378768
Energy: 1.5371877516019423
Energy: 1.3812662198741972
Energy: 1.380504179027233
Energy: 1.5371877516106918
Energy: 1.3601079370870064
Energy: 1.518577508358704
Energy: 1.3734377090748762
Energy: 1.3601016649172757
Energy: 1.518577508356517
Energy: 1.3780917636601124
Energy: 1.3601079370935685
Energy: 1.5185775083652662
Energy: 1.3734377090880003
Energy: 1.3601016649172757
Energy: 1.431233784084724
Energy: 1.2949694497876976
Energy: 1.456722190295606
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Energy: 1.2949694497723863
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Energy: 1.431233784084724
Energy: 1.2949694498008213
Energy: 1.4567221903174792
Energy: 1.4312337840890588
Energy: 1.4785270058764215
Energy: 1.3050096088230767
Energy: 1.5230091508305288
Energy: 1.4785270059048565
Energy: 1.3056533762389946
Energy: 1.5230091508305288
Energy: 1.4785270059179407
Energy: 1.305009608825264
Energy: 1.523009150826154
Energy: 1.4785270058829834
Energy: 1.461851376793225
Energy: 1.3318688361365243
Energy: 1.450564718867367
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Energy: 1.3318688361408986
Energy: 1.450564718854243
Energy: 1.4618513767691645
Energy: 1.3318688361605848
Energy: 1.450564718860805
Energy: 1.4618513767735393
Energy: 1.3137343518111322
Energy: 1.3205924652639751
Energy: 1.4559593836273188
Energy: 1.3137343518111322
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Energy: 1.455959383636068
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Energy: 1.3137343518089448
Energy: 1.4401917931644812
Energy: 1.4962918494950141
Energy: 1.3432004738911314
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Energy: 1.4962918494950141
Energy: 1.3421182392705324
Energy: 1.440191793168856
Energy: 1.4962918494950141
Energy: 1.3432004738911314
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Energy: 1.3398880621485418
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Energy: 1.4415673686921553
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Energy: 1.3821947385991036
Energy: 1.4415673687140285
Energy: 1.3398880621572513
Energy: 1.382194738572856
Energy: 1.4415673687030919
Energy: 1.33988806214198
Energy: 1.385525971797739
Energy: 1.4547228590123762
Energy: 1.450209293367842
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Energy: 1.5278229313005318
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Energy: 1.4178729605583469
Energy: 1.3610487423778195
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Energy: 1.4178729605452232
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Energy: 1.4983102257611003
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Energy: 1.3973519445267775
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Energy: 1.3332375032524495
Energy: 1.397351945827639
Energy: 1.3983629888301683
Energy: 1.3920452509179464
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Energy: 1.3984027460046176
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Energy: 1.3667526589913668
Energy: 1.3984027460046176
Energy: 1.3381819828548533
Energy: 1.3898226058053154
Energy: 1.2865169934017084
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Energy: 1.3898226057856293
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Energy: 1.3898226057921912
Energy: 1.2865169933776877
Energy: 1.3381819828439168
Energy: 1.4441538828006393
Energy: 1.4434209946619825
Energy: 1.444654878610612
Energy: 1.444153882811576
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Energy: 1.4446548785975275
Energy: 1.444153882818138
Energy: 1.4434209946510856
Energy: 1.444654878625923
Energy: 1.4441538828268874
Energy: 1.360093466532875
Energy: 1.4623187089434027
Energy: 1.4125711834947987
Energy: 1.3600735054501412
Energy: 1.4623187089455898
Energy: 1.382422593316514
Energy: 1.360093466526313
Energy: 1.4623187089455898
Energy: 1.4125711834816745
Energy: 1.3600735054567032
Energy: 1.4923511340932347
Energy: 1.2946092915317764
Energy: 1.4524440219809978
Energy: 1.4923511340997968
Energy: 1.2946092915339638
Energy: 1.452444021976623
Energy: 1.4923511340801505
Energy: 1.294609291547088
Energy: 1.452444021967874
Energy: 1.4923511340714013
Energy: 1.5460635502307312
Energy: 1.5188011778794792
Energy: 1.5502340960145944
Energy: 1.5460635502351057
Energy: 1.5188011778882284
Energy: 1.5502340959970957
Energy: 1.5460635502372533
Energy: 1.5188011778926032
Energy: 1.5502340960036578
Energy: 1.546063550224169
Energy: 1.4540183829312843
Energy: 1.304250207770677
Energy: 1.3785063610603268
Energy: 1.4593900541165692
Energy: 1.3044764735651744
Energy: 1.3785063610450157
Energy: 1.4540183829422209
Energy: 1.3042502077750517
Energy: 1.3785063610472028
Energy: 1.4593900541406297
Energy: 1.3821989347779389
Energy: 1.3223020092853655
Energy: 1.472681297047524
Energy: 1.3821989347735641
Energy: 1.3223020092963018
Energy: 1.4726812970650227
Energy: 1.3821989347910628
Energy: 1.3223020092875526
Energy: 1.4726812970562733
Energy: 1.3821989347998123
Energy: 1.348266146374022
Energy: 1.4256336439441792
Energy: 1.3409859835116547
Energy: 1.3482661464702246
Energy: 1.4256336439507409
Energy: 1.3410036171466135
Energy: 1.3482661466036114
Energy: 1.4256336439485535
Energy: 1.3409859835182167
Energy: 1.3482661467391464
Energy: 1.2953545700953704
Energy: 1.4753931165376712
Energy: 1.458374111071963
Energy: 1.2953545701019322
Energy: 1.4753931165223602
Energy: 1.4583741110807125
Energy: 1.2953545701041196
Energy: 1.475393116544233
Energy: 1.4583741110938364
Energy: 1.295354570099745
Energy: 1.4049230076143424
Energy: 1.4456508528191738
Energy: 1.395645475752599
Energy: 1.4049400577027593
Energy: 1.4456508527907386
Energy: 1.3956454757613481
Energy: 1.4049230075946564
Energy: 1.445650852795113
Energy: 1.3956454757591608
Energy: 1.4049400577311946
Energy: 1.4102693879574146
Energy: 1.4873206524869909
Energy: 1.4494245414141844
Energy: 1.4101430302980078
Energy: 1.4873206525088642
Energy: 1.448370553940069
Energy: 1.4102693879705386
Energy: 1.4873206524848035
Energy: 1.449424541425121
Energy: 1.410143030293633
Energy: 1.2996912345239267
Energy: 1.5407062827670635
Energy: 1.4238825496782335
Energy: 1.2996912345304885
Energy: 1.5407062827932718
Energy: 1.4238825496716716
Energy: 1.2996912345370506
Energy: 1.540706282769251
Energy: 1.4238825496672969
Energy: 1.2996912345261138
Energy: 1.3669019628998464
Energy: 1.350639913916432
Energy: 1.442542846860077
Energy: 1.3669019629064085
Energy: 1.3506399139251815
Energy: 1.4425428468447656
Energy: 1.3669019629129306
Energy: 1.3506399139448673
Energy: 1.4425428468469528
Energy: 1.3669019629216799
Energy: 1.3809754485826853
Energy: 1.458986565779381
Energy: 1.3106720316773834
Energy: 1.3809754485848729
Energy: 1.4589865657837557
Energy: 1.3106011756735516
Energy: 1.3809754485936219
Energy: 1.458986565779381
Energy: 1.3106720316773834
Energy: 1.3809754485804981
Energy: 1.4779476319479987
Energy: 1.4318612530269925
Energy: 1.313571752109132
Energy: 1.477947631956748
Energy: 1.431861253031367
Energy: 1.3135717521178814
Energy: 1.4779476319589353
Energy: 1.4318612530269925
Energy: 1.3135717521244432
Energy: 1.477947631950186
Energy: 1.4865546747648792
Energy: 1.4882568829992264
Energy: 1.4254118972245746
Energy: 1.4865546747801905
Energy: 1.4882568829992264
Energy: 1.4254118972267622
Energy: 1.4865546747648792
Energy: 1.4882568830210996
Energy: 1.4254118972202001
Energy: 1.4865546747517553
Energy: 1.524320963124626
Energy: 1.3990078648970343
Energy: 1.2941878608426853
Energy: 1.5243209631180639
Energy: 1.3990078648773485
Energy: 1.294187860853622
Energy: 1.5243209631136894
Energy: 1.3990078648795359
Energy: 1.2941878608514348
Energy: 1.5243209631202512
Energy: 1.3598344098299389
Energy: 1.4975343946686617
Energy: 1.4312027707745683
Energy: 1.359834409816815
Energy: 1.4975343946708488
Energy: 1.4312027707767556
Energy: 1.359834409816815
Energy: 1.497534394651163
Energy: 1.4312027707701938
Energy: 1.3598344098299389
Energy: 1.4398059292742948
Energy: 1.383150074026734
Energy: 1.3805432117052867
Energy: 1.4398059292852317
Energy: 1.4049688641950249
Energy: 1.402024777594724
Energy: 1.4398059292852317
Energy: 1.383150074026734
Energy: 1.3805432117184109
Energy: 1.4398059292852317
Energy: 1.4022148227761275
Energy: 1.2883544123353774
Energy: 1.3384665975145071
Energy: 1.4022148227870244
Energy: 1.2883544123506887
Energy: 1.338466597521069
Energy: 1.4022148227870244
Energy: 1.288354412359438
Energy: 1.3384665975123198
Energy: 1.4022148227826496
Energy: 1.4115427011547816
Energy: 1.6567532547731907
Energy: 1.4129111702388364
Energy: 1.411542701150407
Energy: 1.6567532547644417
Energy: 1.4129111702278996
Energy: 1.4115427011438448
Energy: 1.6567532547710033
Energy: 1.412911170201652
Energy: 1.4115427011460322
Energy: 1.3550068252130985
Energy: 1.3053742055911024
Energy: 1.5148592475941958
Energy: 1.3550068251999745
Energy: 1.3054023730493292
Energy: 1.5148592476095069
Energy: 1.3550068252065364
Energy: 1.3053742056129356
Energy: 1.514859247596383
Energy: 1.3550068252130985
Energy: 1.38129743569316
Energy: 1.3648872681060547
Energy: 1.4410231502655322
Energy: 1.3812974356997219
Energy: 1.3648872680907436
Energy: 1.4410231502742814
Energy: 1.3812974356909726
Energy: 1.3648872681104292
Energy: 1.441023150276469
Energy: 1.3812974356909726
Energy: 1.3650065789094599
Energy: 1.3767900419200523
Energy: 1.3406095943940015
Energy: 1.3650065788919612
Energy: 1.376790041930989
Energy: 1.340643668861538
Energy: 1.365006578883212
Energy: 1.3767900419288017
Energy: 1.3406095943786904
Energy: 1.3650065789160217
Energy: 1.2933292036980095
Energy: 1.3729910045825142
Energy: 1.4559117957387862
Energy: 1.2933292036805113
Energy: 1.3729910045934108
Energy: 1.4559117957344114
Energy: 1.2933292036783237
Energy: 1.3729910045890763
Energy: 1.4559117957257017
Energy: 1.2933292036958224
Energy: 1.3908010978183858
Energy: 1.467750016106867
Energy: 1.4865004576554022
Energy: 1.4159783670627035
Energy: 1.4677500160959303
Energy: 1.486500457659777
Energy: 1.3908010977965126
Energy: 1.467750016087181
Energy: 1.4865004576575893
Energy: 1.4159783670408699

minimum gb energy = 1.2865169933776877 eV
minimum distance =  2.14661851716176 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.3421224218835666
Energy: 1.3431265288503562
Energy: 1.3432344659559092
Energy: 1.342122421887551
Energy: 1.3431265288415908
Energy: 1.343234465957503
Energy: 1.3421224218843633
Energy: 1.3431265288503562
Energy: 1.3432344659551125
Energy: 1.3421224218867538
Energy: 1.4034160769648252
Energy: 1.2978376346897882
Energy: 1.316511200878847
Energy: 1.4034160768875277
Energy: 1.297837634690585
Energy: 1.3165112008741382
Energy: 1.4034160766430301
Energy: 1.297837634686601
Energy: 1.316511200878847
Energy: 1.4034160769361375
Energy: 1.448495727628803
Energy: 1.2847178244144213
Energy: 1.3796609558897102
Energy: 1.448495727628803
Energy: 1.2847178243984836
Energy: 1.379660955869788
Energy: 1.4484957276272092
Energy: 1.2847178243976867
Energy: 1.3796609558490693
Energy: 1.4484957276296
Energy: 1.4154023971815577
Energy: 1.3864304503934217
Energy: 1.3450243876296677
Energy: 1.4154023971759795
Energy: 1.3864304508036702
Energy: 1.3450243876328551
Energy: 1.4154023971815577
Energy: 1.3864304502532432
Energy: 1.3450243876296677
Energy: 1.4154023971759795
Energy: 1.4496122007991112
Energy: 1.3081660046074126
Energy: 1.4980241863119927
Energy: 1.4496122008038925
Energy: 1.3081660046074126
Energy: 1.498024186309602
Energy: 1.4496122007983143
Energy: 1.3081660046082095
Energy: 1.4980241863111958
Energy: 1.4496122008030958
Energy: 1.3501897225763966
Energy: 1.4174259992803668
Energy: 1.2975202337751768
Energy: 1.350189722585959
Energy: 1.4174259992779765
Energy: 1.2975202337735832
Energy: 1.3501897225763966
Energy: 1.4174259992811638
Energy: 1.2975202337743799
Energy: 1.350189722585959
Energy: 1.3134236633967276
Energy: 1.3288724924929312
Energy: 1.2846439103135037
Energy: 1.3134236634349776
Energy: 1.3288724924993065
Energy: 1.284643910303941
Energy: 1.3134236632287304
Energy: 1.3288724924929312
Energy: 1.2846439103103162
Energy: 1.3134236632159804
Energy: 1.398635758635924
Energy: 1.455143869613544
Energy: 1.3916089274928638
Energy: 1.3986357586494709
Energy: 1.4551438696071688
Energy: 1.391608927484895
Energy: 1.398635758635127
Energy: 1.455143869612747
Energy: 1.3916089274936607
Energy: 1.3986357586502678
Energy: 1.4820695035818874
Energy: 1.3086618609077947
Energy: 1.312848657489762
Energy: 1.4820695035890592
Energy: 1.3086618609109821
Energy: 1.312848657484981
Energy: 1.4820695035826843
Energy: 1.3086618609077947
Energy: 1.312848657489762
Energy: 1.4820695035882623
Energy: 1.4103649510611973
Energy: 1.3515818628301162
Energy: 1.4999118951886579
Energy: 1.4103649510580099
Energy: 1.35158186283171
Energy: 1.499911895187861
Energy: 1.4103649510604004
Energy: 1.3515818628301162
Energy: 1.4999118951886579
Energy: 1.4103649510580099
Energy: 1.3700088076870574
Energy: 1.3503672064630106
Energy: 1.324799100192303
Energy: 1.3700088076814791
Energy: 1.291848681687457
Energy: 1.3247991001978812
Energy: 1.370008807683073
Energy: 1.2918486816930352
Energy: 1.3247991001907091
Energy: 1.370008807683073
Energy: 1.3517713474190904
Energy: 1.2953004859218902
Energy: 1.387549934568604
Energy: 1.3517713474222781
Energy: 1.2953004859179056
Energy: 1.3875499345670104
Energy: 1.3517713474214812
Energy: 1.2953004859218902
Energy: 1.387549934568604
Energy: 1.3517713474214812
Energy: 1.3075883101741699
Energy: 1.4482885560355523
Energy: 1.3134369502298102
Energy: 1.307588310168592
Energy: 1.4482885560323648
Energy: 1.3134369502258256
Energy: 1.307588310173373
Energy: 1.4482885560347554
Energy: 1.3134369502306071
Energy: 1.3075883101701855
Energy: 1.368856988112726
Energy: 1.2957936747211143
Energy: 1.3892927848049297
Energy: 1.3688569881119292
Energy: 1.2957936747187235
Energy: 1.3892927848033358
Energy: 1.3688569881111323
Energy: 1.2957936747203174
Energy: 1.3892927848001484
Energy: 1.3688569881143198

minimum gb energy = 1.284643910303941 eV
minimum distance =  2.17407288549454 Angstroms
sigma value = 33