Model name: model_name=EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5240105092525478
cohesive_energy=4.528250525522021
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9364067016187398e-19, 2.8432066329300595e-19, 3.5270156203212596e-19, 4.08672000564282e-19, 4.546929221992979e-19, 4.93513662041118e-19, 5.268277207918799e-19, 5.55702148089828e-19, 5.80880353893138e-19, 6.0290868043400395e-19, 6.22200489283998e-19, 6.39090635359626e-19, 6.5411264348001e-19, 6.679730735407439e-19, 6.804043620439499e-19, 6.910748584263899e-19, 7.00000584454404e-19, 7.073321447315879e-19, 7.132329612746099e-19, 7.178424234506279e-19, 7.21279092330558e-19, 7.236407006890739e-19, 7.250073573578761e-19, 7.25447955932226e-19, 7.24978518178464e-19, 7.23467665612602e-19, 7.2074716968807e-19, 7.166135539723499e-19, 7.108345028535119e-19, 7.03209744252306e-19, 6.935293930296779e-19, 6.81338431021572e-19, 6.659959875743879e-19, 6.46785889732728e-19, 6.2291025353286e-19, 5.934478274102339e-19, 5.57262668131344e-19, 5.129400537283679e-19, 4.5869515943103e-19, 3.9272553652607997e-19, 3.12709631070852e-19, 2.1369191073638399e-19, 8.981786188437658e-20, -6.58882323319428e-20, -2.62487802301488e-19, -5.116342797716579e-19, -8.322506525312999e-19, -1.25000218808046e-18]
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: 0.018376962215454824
Energy: 11.717942585154148
Energy: 0.7890905736889117
Energy: 11.717939592466832
Energy: 11.717942541101662
Energy: 0.9485727287194035
Energy: 11.717942171450037
Energy: 0.9485727287168
Energy: 0.7890905736927619
Energy: 11.71794190309894
Energy: 0.018376962215454824
Energy: 0.01883080116940833
Energy: 11.717941074411556
Energy: 0.9485727287142334
Energy: 0.01883080116878497
Energy: 0.9485727287161766

minimum gb energy = 0.018376962215454824 eV
minimum distance =  2.46318154542508 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.6159094832800784
Energy: 1.2042538393620752
Energy: 1.2060044972954393
Energy: 1.2042538393612745
Energy: 1.126308759387742
Energy: 1.239456487368804
Energy: 1.1275305650267808
Energy: 1.2394564873680036
Energy: 1.2077903918068427
Energy: 1.2052124584434663
Energy: 1.1263628999880015
Energy: 1.2052124584434663
Energy: 1.1306454524661225
Energy: 1.1254168247905356
Energy: 1.1270718724923336
Energy: 1.1254168247905356
Energy: 1.1800725301856334
Energy: 1.1271735189733367
Energy: 1.1313712562225826
Energy: 1.127173518974137
Energy: 1.2009670917015274
Energy: 1.2574439958088857
Energy: 1.1275788448575912
Energy: 1.2574439958104866
Energy: 1.1914443379627626
Energy: 1.1895943406804927
Energy: 1.1800303903752674
Energy: 1.1895943406804927
Energy: 1.1840749757002889
Energy: 1.1814223014334457
Energy: 1.2524132685191565
Energy: 1.1814223014342462
Energy: 1.3171366710052193
Energy: 1.2808099818193353
Energy: 1.2110100894292717
Energy: 1.2808099818201355
Energy: 1.2500646898061063
Energy: 1.2672943600686881
Energy: 1.2116331512888152
Energy: 1.2672943600710895
Energy: 1.2055876687630231
Energy: 1.284209619744694
Energy: 1.2112311626267276
Energy: 1.2842096197438935
Energy: 1.1825253912457927
Energy: 1.2843814073382018
Energy: 1.257956324949287
Energy: 1.2843814073382018
Energy: 1.1887705101955575
Energy: 1.1895602066985507
Energy: 1.137392461528569
Energy: 1.18956020669775
Energy: 1.183222615951054
Energy: 1.2013034302493755
Energy: 1.1980172414813737
Energy: 1.2013034302509766
Energy: 1.1370992220337686
Energy: 1.125658009334892
Energy: 1.1266879879306855
Energy: 1.125658009334892
Energy: 1.1806470896620789
Energy: 1.1261224912925636
Energy: 1.125673799639133
Energy: 1.1261224912917631
Energy: 1.2034967876112204
Energy: 1.2026447023648328
Energy: 1.1112178965390045
Energy: 1.2026447023656335
Energy: 1.1270838533184495
Energy: 1.1267153053525452
Energy: 1.1394656200307653
Energy: 1.1267153053517447
Energy: 1.1264166970362368
Energy: 1.2071194198421624
Energy: 1.2046069084109852
Energy: 1.2071194198421624
Energy: 1.180220183959615
Energy: 1.126337139650681
Energy: 1.1297942650042807
Energy: 1.1263371396514814
Energy: 1.1265276539661602
Energy: 1.1276384437627684
Energy: 1.1792565807188744
Energy: 1.1276384437619678
Energy: 1.1273860917722454
Energy: 1.1264843911017413
Energy: 1.180087596554767
Energy: 1.1264843911001403
Energy: 1.1802782974906891
Energy: 1.1911554025289453
Energy: 1.1800166412268442
Energy: 1.1911554025281448
Energy: 1.2529786155693217
Energy: 1.191677374472712
Energy: 1.183539678033352
Energy: 1.1916773744735125
Energy: 1.212342255221287
Energy: 1.283380590886653
Energy: 1.317356538323419
Energy: 1.2833805908858524
Energy: 1.2134359007545927
Energy: 1.286385863273839
Energy: 1.2527645366142377
Energy: 1.286385863273839
Energy: 1.3191830663719268
Energy: 1.2804379668092238
Energy: 1.205476622521208
Energy: 1.2804379668092238
Energy: 1.2549552196346139
Energy: 1.2834678592272983
Energy: 1.1830887364518443
Energy: 1.2834678592272983
Energy: 1.1376301670822668
Energy: 1.1896024541789232
Energy: 1.1885339637514658
Energy: 1.1896024541781225
Energy: 1.1978998168370214
Energy: 1.191841723949517
Energy: 1.1835737986902939
Energy: 1.1918417239519183
Energy: 1.1256474860597587
Energy: 1.125524482811888
Energy: 1.1375220348144872
Energy: 1.1255244828110875
Energy: 1.1258136467758033
Energy: 1.1264857160823913
Energy: 1.1817216927999596
Energy: 1.1264857160823913
Energy: 1.1110915713294218
Energy: 1.2020115148060933
Energy: 1.2024835500747857
Energy: 1.202011514806894

minimum gb energy = 1.1110915713294218 eV
minimum distance =  2.24632624188619 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.8330147517548467
Energy: 1.2609030958795653
Energy: 1.2635156119950475
Energy: 1.2609030958777399
Energy: 1.1740682169355319
Energy: 1.2913989911866184
Energy: 1.1739008079629933
Energy: 1.2913989911866184
Energy: 1.2595454325794424
Energy: 1.2619230580132001
Energy: 1.1725444888082226
Energy: 1.2619230580132001
Energy: 1.18012236946863
Energy: 1.1735657926808667
Energy: 1.1738811646981602
Energy: 1.1735657926781284
Energy: 1.172757588210451
Energy: 1.1745801691702806
Energy: 1.1743388587559946
Energy: 1.1745801691739315
Energy: 1.2667545208864754
Energy: 1.3140966779177428
Energy: 1.1734900096466359
Energy: 1.3140966779177428
Energy: 1.2444641080544177
Energy: 1.2750273613389942
Energy: 1.2389847171609663
Energy: 1.2750273613335181
Energy: 1.243100268513068
Energy: 1.2745608315648176
Energy: 1.3186451449418277
Energy: 1.2745608315684682
Energy: 1.2404103393440427
Energy: 1.3468393801649827
Energy: 1.3196535020958984
Energy: 1.346839380165895
Energy: 1.3193830187128652
Energy: 1.3438692590738568
Energy: 1.2450486784405053
Energy: 1.3438692590711185
Energy: 1.1917802283769332
Energy: 1.275107814681665
Energy: 1.260144722340915
Energy: 1.2751078146844033
Energy: 1.1929713129558606
Energy: 1.2773310288270179
Energy: 1.2675214009517983
Energy: 1.2773310288288433
Energy: 1.1754773593273766
Energy: 1.1744782655199228
Energy: 1.191400817030511
Energy: 1.1744782655208357
Energy: 1.1738771517628783
Energy: 1.1741317574947896
Energy: 1.153631990454176
Energy: 1.1741317574938765
Energy: 1.1522236564988193
Energy: 1.2581949973223374
Energy: 1.2598376848916693
Energy: 1.25819499732325
Energy: 1.1942656101559068
Energy: 1.1808056427993465
Energy: 1.173932525784532
Energy: 1.180805642801172
Energy: 1.2618345845654813
Energy: 1.2632386241513307
Energy: 1.1731788452764973
Energy: 1.2632386241568068
Energy: 1.1798598592194771
Energy: 1.1733043299458543
Energy: 1.2393564768954042
Energy: 1.1733043299458543
Energy: 1.172556457367563
Energy: 1.175134128554528
Energy: 1.1758500993126844
Energy: 1.1751341285554404
Energy: 1.2660328405170906
Energy: 1.174809786931065
Energy: 1.1760919489424038
Energy: 1.1748097869365408
Energy: 1.2390116139290919
Energy: 1.2807315361502103
Energy: 1.240732013803045
Energy: 1.2807315361465592
Energy: 1.240513066453969
Energy: 1.2820203396333574
Energy: 1.3197887682303087
Energy: 1.2820203396324445
Energy: 1.2415710687006813
Energy: 1.349021451895006
Energy: 1.258152788245878
Energy: 1.3490214518931807
Energy: 1.3191596510376493
Energy: 1.3553181355403354
Energy: 1.2389482181821478
Energy: 1.3553181355367265
Energy: 1.1924216936649974
Energy: 1.2749213449595465
Energy: 1.2602729842393383
Energy: 1.2749213449586336
Energy: 1.1930343932710035
Energy: 1.2765301240662015
Energy: 1.2714198203435663
Energy: 1.2765301240662015
Energy: 1.1741319149073715
Energy: 1.174515225153185
Energy: 1.191136215258983
Energy: 1.174515225154098
Energy: 1.1739680359570506
Energy: 1.1740588704098878
Energy: 1.1538856771921508
Energy: 1.1740588704117128
Energy: 1.1520264912272646
Energy: 1.2577525020945473
Energy: 1.258615312959847
Energy: 1.2577525020972855

minimum gb energy = 1.1520264912272646 eV
minimum distance =  2.24447168869828 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.7516242417234036
Energy: 1.322251744672835
Energy: 1.3223485679187323
Energy: 1.3222517446717739
Energy: 1.2269144639838354
Energy: 1.3433979141971475
Energy: 1.226780184766875
Energy: 1.3433979141971475
Energy: 1.321281362102349
Energy: 1.3198681796102913
Energy: 1.2252022383636698
Energy: 1.3198681796102913
Energy: 1.2357566516560061
Energy: 1.3441932157482546
Energy: 1.227304943221847
Energy: 1.3441932157482546
Energy: 1.2246804640315716
Energy: 1.2267994947989642
Energy: 1.228872877012565
Energy: 1.2267994947979033
Energy: 1.3500058749446766
Energy: 1.2280794006770912
Energy: 1.2279738470053732
Energy: 1.2280794006760305
Energy: 1.3025707727559577
Energy: 1.3637492078155022
Energy: 1.29922783418295
Energy: 1.3637492078155022
Energy: 1.302624088702924
Energy: 1.3681536282617228
Energy: 1.3960841255546292
Energy: 1.3681536282617228
Energy: 1.3024624987090205
Energy: 1.362897314848443
Energy: 1.2589479149700349
Energy: 1.362897314848443
Energy: 1.3502689796148606
Energy: 1.3626641682585534
Energy: 1.2273414938472909
Energy: 1.3626641682585534
Energy: 1.1933583721018206
Energy: 1.2274837284498437
Energy: 1.2265109802948728
Energy: 1.2274837284509046
Energy: 1.1938181009614046
Energy: 1.2273277229503683
Energy: 1.2272559886556769
Energy: 1.2273277229524904
Energy: 1.3198773734463167
Energy: 1.3183946454245445
Energy: 1.1930688606759459
Energy: 1.3183946454234836
Energy: 1.2271691607567865
Energy: 1.2362088656909387
Energy: 1.2555124265535242
Energy: 1.2362088656898775
Energy: 1.2251874936316416
Energy: 1.3246960661645322
Energy: 1.3247472334181523
Energy: 1.3246960661645322
Energy: 1.346288768111069
Energy: 1.2274338292077445
Energy: 1.2356292219533778
Energy: 1.2274338292077445
Energy: 1.2265574699108766
Energy: 1.2277297552427457
Energy: 1.2249396710684048
Energy: 1.2277297552416848
Energy: 1.2269445999748823
Energy: 1.2270637822619208
Energy: 1.349144661179912
Energy: 1.2270637822619208
Energy: 1.2991641069620745
Energy: 1.3681032564934597
Energy: 1.3039740929371655
Energy: 1.3681032564923987
Energy: 1.3977211469486202
Energy: 1.3678619192219843
Energy: 1.3015859375258307
Energy: 1.3678619192230455
Energy: 1.2572309146919667
Energy: 1.3624088922890476
Energy: 1.3037602353000233
Energy: 1.3624088922890476
Energy: 1.2594811906331183
Energy: 1.3630244703723493
Energy: 1.3494067899003521
Energy: 1.3630244703723493
Energy: 1.2274836741475113
Energy: 1.227250992682675
Energy: 1.193603105538609
Energy: 1.227250992682675
Energy: 1.2271054976530857
Energy: 1.227270411216564
Energy: 1.1942779412475653
Energy: 1.227270411216564
Energy: 1.1928054214746329
Energy: 1.3175899515012155
Energy: 1.3183772634860784
Energy: 1.3175899515022766

minimum gb energy = 1.1928054214746329 eV
minimum distance =  2.24760346747914 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.764260876249038
Energy: 1.4077662277500393
Energy: 1.4079774962679346
Energy: 1.4077662277500393
Energy: 1.3191394766115023
Energy: 1.4214358744483813
Energy: 1.3732863999568357
Energy: 1.4214358744483813
Energy: 1.4101825926218643
Energy: 1.4107744893844036
Energy: 1.4704794295144272
Energy: 1.4107744893844036
Energy: 1.3205368385262497
Energy: 1.422160216222559
Energy: 1.3282739959020597
Energy: 1.422160216222559
Energy: 1.2662437171340342
Energy: 1.3199502109264323
Energy: 1.3196441650308486
Energy: 1.3199502109251668
Energy: 1.3245697054194618
Energy: 1.3262935460390248
Energy: 1.332260699510417
Energy: 1.3262935460402903
Energy: 1.3256686116415515
Energy: 1.4665823557130375
Energy: 1.3277279548476875
Energy: 1.4665823557117719
Energy: 1.3554479049508894
Energy: 1.4669936402705515
Energy: 1.327852290291271
Energy: 1.4669936402692858
Energy: 1.3879235427408354
Energy: 1.3870454233352656
Energy: 1.3117481927004013
Energy: 1.387045423334
Energy: 1.3995817372759647
Energy: 1.3445798303587462
Energy: 1.274122377527971
Energy: 1.3445798303600116
Energy: 1.2276532190411
Energy: 1.2553444194672259
Energy: 1.2540789916930433
Energy: 1.2553444194672259
Energy: 1.3468461403264176
Energy: 1.2299872236684024
Energy: 1.254889255553917
Energy: 1.2299872236684024
Energy: 1.485193764984877
Energy: 1.4850374684737537
Energy: 1.469042326406606
Energy: 1.4850374684737537
Energy: 1.476738021442388
Energy: 1.3432743975324288
Energy: 1.3297325056389475
Energy: 1.3432743975324288
Energy: 1.2665846652855326
Energy: 1.330445520062766
Energy: 1.3237050356135631
Energy: 1.330445520062766
Energy: 1.3684293281776867
Energy: 1.330347240463693
Energy: 1.3236916515567647
Energy: 1.330347240463693
Energy: 1.3251430946850191
Energy: 1.4728195858918562
Energy: 1.3225212265455728
Energy: 1.4728195858905908
Energy: 1.3247030892895528
Energy: 1.4736478102551032
Energy: 1.3229482627909406
Energy: 1.4736478102563688
Energy: 1.3179259460891561
Energy: 1.3185844790882697
Energy: 1.3117312685455291
Energy: 1.3185844790895354
Energy: 1.3192628687255863
Energy: 1.319218466717026
Energy: 1.3120776713214655
Energy: 1.319218466717026
Energy: 1.3148262467879852
Energy: 1.4052893177994787
Energy: 1.4047795292645848
Energy: 1.405289317798213

minimum gb energy = 1.2276532190411 eV
minimum distance =  2.22861917685738 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.4679258833994648
Energy: 1.4531041257279629
Energy: 1.4535487161214924
Energy: 1.4531041257279629
Energy: 1.4589870303978294
Energy: 1.3847304693548226
Energy: 1.3071705986881506
Energy: 1.3847304693548226
Energy: 1.4516607316547967
Energy: 1.4466265725525893
Energy: 1.4573288459402587
Energy: 1.4466265725525893
Energy: 1.4455171727816605
Energy: 1.3850921379798282
Energy: 1.307068119517553
Energy: 1.3850921379813934
Energy: 1.3628183423833844
Energy: 1.3760115429959137
Energy: 1.307406592078157
Energy: 1.3760115429974786
Energy: 1.269199859867264
Energy: 1.3713508497540823
Energy: 1.3049443275561305
Energy: 1.3713508497540823
Energy: 1.2615700085819446
Energy: 1.3755315855517574
Energy: 1.3667765385919328
Energy: 1.3755315855517574
Energy: 1.2616370096018705
Energy: 1.38541836621395
Energy: 1.3075477144535075
Energy: 1.3854183662155155
Energy: 1.4448467374136524
Energy: 1.4446299412377062
Energy: 1.6226479852472635
Energy: 1.444629941236141
Energy: 1.4592188902381344
Energy: 1.2712273476795837
Energy: 1.4449283329792035
Energy: 1.2712273476780187
Energy: 1.4470593938881549
Energy: 1.4446227987140794
Energy: 1.459133895069007
Energy: 1.4446227987140794
Energy: 1.4433154433152457
Energy: 1.386238477793444
Energy: 1.4453847704168816
Energy: 1.386238477793444
Energy: 1.3064439535257402
Energy: 1.4516483764848591
Energy: 1.362748506320878
Energy: 1.4516483764848591
Energy: 1.3074758389656262
Energy: 1.3759245253686776
Energy: 1.2704652792015212
Energy: 1.3759245253686776
Energy: 1.3676259514122726
Energy: 1.3762918249047025
Energy: 1.2612216671067114
Energy: 1.376291824903137
Energy: 1.3067319657063532
Energy: 1.309871997746708
Energy: 1.2608538993177685
Energy: 1.309871997746708
Energy: 1.6227371666858958
Energy: 1.4445592259466944
Energy: 1.4416056805396136
Energy: 1.4445592259466944

minimum gb energy = 1.2608538993177685 eV
minimum distance =  2.24887103242828 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.9838214968415795
Energy: 1.5868729669878059
Energy: 1.5880453492221713
Energy: 1.5868729669886923
Energy: 1.3823501038615684
Energy: 1.3896420395458298
Energy: 1.5986871673291327
Energy: 1.3896420395458298
Energy: 1.3852826727501042
Energy: 1.3840160096085767
Energy: 1.5812752279128475
Energy: 1.3840160096076901
Energy: 1.3844465450250047
Energy: 1.3905372159497418
Energy: 1.3873035999463608
Energy: 1.3905372159488556
Energy: 1.3820668179135311
Energy: 1.490479381987482
Energy: 1.2993007993139827
Energy: 1.4904793819865954
Energy: 1.3909048785302156
Energy: 1.4537918405056884
Energy: 1.3834139252798592
Energy: 1.453791840506575
Energy: 1.4599211191851085
Energy: 1.3818694754584837
Energy: 1.3859599490545287
Energy: 1.3818694754584837
Energy: 1.697964011941232
Energy: 1.3898826789902592
Energy: 1.383974375583932
Energy: 1.3898826789911456
Energy: 1.59727446526975
Energy: 1.5826430659803803
Energy: 1.5792791524652114
Energy: 1.5826430659803803
Energy: 1.5800501247351961
Energy: 1.4875830658969886
Energy: 1.5440197259504178
Energy: 1.487583065896102
Energy: 1.3793999459984834
Energy: 1.3581013101467625
Energy: 1.3282655953551648
Energy: 1.3581013101449897
Energy: 1.59485112341376
Energy: 1.3594456959342194
Energy: 1.354530956895056
Energy: 1.359445695933333
Energy: 1.4611106012982402
Energy: 1.3583341735230456
Energy: 1.3564890667907705
Energy: 1.3583341735248184
Energy: 1.4620951251751655
Energy: 1.3559408801751718
Energy: 1.3297658453977053
Energy: 1.3559408801760582
Energy: 1.5806071668016728
Energy: 1.5804633262097376
Energy: 1.6932185132682975
Energy: 1.5804633262097376
Energy: 1.603066010815549
Energy: 1.579335142602326
Energy: 1.6934715825663005
Energy: 1.579335142604099
Energy: 1.5796570192254742
Energy: 1.3829864084331913
Energy: 1.3826607848556263
Energy: 1.3829864084323047
Energy: 1.5799002428960613
Energy: 1.382947710031406
Energy: 1.3789674155847296
Energy: 1.3829477100322927
Energy: 1.3823864055211466
Energy: 1.4921714738851282
Energy: 1.3834547839649376
Energy: 1.4921714738860143
Energy: 1.4091171609833575
Energy: 1.4926167067275455
Energy: 1.3820532664825154
Energy: 1.4926167067275455
Energy: 1.3826124227928125
Energy: 1.3904451986382713
Energy: 1.721898385631477
Energy: 1.3904451986373847
Energy: 1.3841808273973137
Energy: 1.3857925051062698
Energy: 1.6454191776431366
Energy: 1.3857925051053834
Energy: 1.5007746749411455
Energy: 1.4884930430854246
Energy: 1.5980121420727218
Energy: 1.4884930430871974
Energy: 1.5814542915261394
Energy: 1.582973953244378
Energy: 1.5832167401125485
Energy: 1.5829739532452645
Energy: 1.3557919546440722
Energy: 1.3578864069012084
Energy: 1.582403737677878
Energy: 1.357886406902095
Energy: 1.3556394265199085
Energy: 1.3591168672191467
Energy: 1.380996761875219
Energy: 1.3591168672182599
Energy: 1.327989647081451
Energy: 1.3349723984118087
Energy: 1.4773941434366906
Energy: 1.3349723984126953
Energy: 1.3309309045814872
Energy: 1.3589153626679704
Energy: 1.4631086727560292
Energy: 1.3589153626679704
Energy: 1.3573672573780382
Energy: 1.3599448966861791
Energy: 1.4612625249910922
Energy: 1.3599448966870655
Energy: 1.6939176042900925
Energy: 1.5833379002708972
Energy: 1.5831467583302383
Energy: 1.5833379002700105

minimum gb energy = 1.2993007993139827 eV
minimum distance =  2.22461253888531 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.8026357284003758
Energy: 1.479036145451279
Energy: 1.480678851864688
Energy: 1.4790361454492382
Energy: 1.460472269107217
Energy: 1.3355848566234183
Energy: 1.462634700014165
Energy: 1.3355848566213775
Energy: 1.465575873307667
Energy: 1.464459906109228
Energy: 1.472417604075723
Energy: 1.464459906107187
Energy: 1.4663081676172662
Energy: 1.33737961215055
Energy: 1.4594091093576151
Energy: 1.3373796121464685
Energy: 1.4854618464005445
Energy: 1.3358918417369754
Energy: 1.2305455330282509
Energy: 1.3358918417369754
Energy: 1.4617551575064798
Energy: 1.339205080112504
Energy: 1.231396815155889
Energy: 1.339205080112504
Energy: 1.6773186820398291
Energy: 1.4619396873609392
Energy: 1.4626273470951232
Energy: 1.4619396873609392
Energy: 1.6794815961009832
Energy: 1.460470045864917
Energy: 1.4588677953962155
Energy: 1.4604700458669577
Energy: 1.4621446466340688
Energy: 1.463068430889142
Energy: 1.4731198662357115
Energy: 1.463068430889142
Energy: 1.4596087051846178
Energy: 1.3381844099788045
Energy: 1.462773115348368
Energy: 1.3381844099788045
Energy: 1.4856104253479097
Energy: 1.340163721534172
Energy: 1.252421094260844
Energy: 1.340163721532131
Energy: 1.4644108137441725
Energy: 1.3353219584193932
Energy: 1.231345919849628
Energy: 1.3353219584193932
Energy: 1.6790719736551012
Energy: 1.4606703252389277
Energy: 1.4589097087857936
Energy: 1.460670325236887

minimum gb energy = 1.2305455330282509 eV
minimum distance =  2.25270186842161 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.7677729665198307
Energy: 1.6500051669696905
Energy: 1.6548226164940778
Energy: 1.6500051669681801
Energy: 1.3485896718180737
Energy: 1.3466461436952404
Energy: 1.6342868189703972
Energy: 1.3466461436959958
Energy: 1.3491298960235352
Energy: 1.3504051960120296
Energy: 1.6482915594602818
Energy: 1.3504051960120296
Energy: 1.3515494621860615
Energy: 1.3491065916513234
Energy: 1.72046125737648
Energy: 1.3491065916513234
Energy: 1.349518085697317
Energy: 1.346548385970302
Energy: 1.7158065839157524
Energy: 1.3465483859718126
Energy: 1.3467762697377554
Energy: 1.3468166327407916
Energy: 1.7142874753750585
Energy: 1.3468166327423021
Energy: 1.6309892632122895
Energy: 1.6117084927190648
Energy: 1.630675894844265
Energy: 1.6117084927190648
Energy: 1.6292970247710516
Energy: 1.612674425606734
Energy: 1.6120361420812133
Energy: 1.612674425606734
Energy: 1.4268781625622882
Energy: 1.5215751095535062
Energy: 1.4355811601004749
Energy: 1.5215751095542616
Energy: 1.3374182775193875
Energy: 1.4399965251248374
Energy: 1.6078586847729488
Energy: 1.4399965251255928
Energy: 1.4280667189537954
Energy: 1.4289508796467159
Energy: 1.5340631922571764
Energy: 1.4289508796467159
Energy: 1.4339568889735979
Energy: 1.514464387290558
Energy: 1.7111033980227321
Energy: 1.5144643872890475
Energy: 1.6308363121807914
Energy: 1.428927580841856
Energy: 1.4373351341388134
Energy: 1.4289275808426114
Energy: 1.6326869201380796
Energy: 1.427042886915327
Energy: 1.4275608695486697
Energy: 1.4270428869160823
Energy: 1.6109107901337667
Energy: 1.4425763530520428
Energy: 1.431743965446771
Energy: 1.4425763530520428
Energy: 1.532627886716943
Energy: 1.5140450040971576
Energy: 1.4321098457043724
Energy: 1.514045004097913
Energy: 1.6126963134602064
Energy: 1.520357331600662
Energy: 1.4297358693220534
Energy: 1.5203573315999068
Energy: 1.6133293026324316
Energy: 1.6110162734155147
Energy: 1.7671310888758034
Energy: 1.611016273414759
Energy: 1.6342539725295564
Energy: 1.347315462621207
Energy: 1.3454189083071602
Energy: 1.3473154626204518
Energy: 1.649480306943093
Energy: 1.3521963261738408
Energy: 1.3812082457996502
Energy: 1.3521963261753513
Energy: 1.637805766039049
Energy: 1.348809431555435
Energy: 1.3476849764611198
Energy: 1.3488094315546795
Energy: 1.7144418961811339
Energy: 1.345709152755689
Energy: 1.3468099255457169
Energy: 1.3457091527564446
Energy: 1.7157423113436185
Energy: 1.3478759452506621
Energy: 1.3477900130290192
Energy: 1.3478759452521725
Energy: 1.6406825978939257
Energy: 1.609876845836781
Energy: 1.6286300017213873
Energy: 1.6098768458360255
Energy: 1.6131874756022728
Energy: 1.6100377199337685
Energy: 1.632412461917488
Energy: 1.6100377199330134
Energy: 1.4375686236364489
Energy: 1.52727603922433
Energy: 1.429316497157679
Energy: 1.5272760392258407
Energy: 1.6085302554093979
Energy: 1.440974990397994
Energy: 1.3365559777024731
Energy: 1.440974990397994
Energy: 1.4979870554600314
Energy: 1.4271553508832586
Energy: 1.4292927555120434
Energy: 1.4271553508847696
Energy: 1.7615530740468524
Energy: 1.4296096744803495
Energy: 1.4331440661024857
Energy: 1.4296096744780833
Energy: 1.4385923235954998
Energy: 1.4298645140512525
Energy: 1.629645443670717
Energy: 1.4298645140512525
Energy: 1.4316878010807816
Energy: 1.4274216341122774
Energy: 1.6298978609887311
Energy: 1.4274216341145436
Energy: 1.4297048617983323
Energy: 1.4483109946648969
Energy: 1.6126851949236995
Energy: 1.4483109946648969
Energy: 1.4433419270889034
Energy: 1.3550478714008405
Energy: 1.532654005690195
Energy: 1.3550478714008405
Energy: 1.4296101278683873
Energy: 1.3487300255612884
Energy: 1.5014250685994015
Energy: 1.3487300255605332
Energy: 1.7098442604273212
Energy: 1.6104730187892116
Energy: 1.611160285067839
Energy: 1.6104730187899667

minimum gb energy = 1.3365559777024731 eV
minimum distance =  2.23164958042241 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.8948013026839936
Energy: 1.5427073807299767
Energy: 1.6069707436792209
Energy: 1.5427073807287783
Energy: 1.3819295741677722
Energy: 1.3821339320691386
Energy: 1.5360804207521819
Energy: 1.3821339320691386
Energy: 1.3822272422791364
Energy: 1.3796331827388422
Energy: 1.5991789746499225
Energy: 1.379633182737644
Energy: 1.382495321038777
Energy: 1.3825037393594017
Energy: 1.702316118050734
Energy: 1.3825037393606
Energy: 1.3831944107173155
Energy: 1.3826917139851578
Energy: 1.7109334482789587
Energy: 1.382691713986356
Energy: 1.4824859762598355
Energy: 1.3815943135808568
Energy: 1.6154925671253957
Energy: 1.3815943135808568
Energy: 1.5161680639053305
Energy: 1.5762451556552692
Energy: 1.6056644549686307
Energy: 1.5762451556540706
Energy: 1.4885502748891193
Energy: 1.5768169377576706
Energy: 1.5889037274728484
Energy: 1.5768169377552739
Energy: 1.4612674816508693
Energy: 1.5452668237349574
Energy: 1.5799607142528618
Energy: 1.545266823736156
Energy: 1.4275330208578585
Energy: 1.3964977289931673
Energy: 1.5763939199568542
Energy: 1.3964977289931673
Energy: 1.4620287957929667
Energy: 1.362763699542034
Energy: 1.3427304003846687
Energy: 1.3627636995432322
Energy: 1.4305262127086922
Energy: 1.3623396765946207
Energy: 1.6784626552288573
Energy: 1.3623396765946207
Energy: 1.5861663251857736
Energy: 1.4836756466085081
Energy: 1.4168489570688803
Energy: 1.4836756466061114
Energy: 1.5947101735602625
Energy: 1.4475914285933726
Energy: 1.4435428821279452
Energy: 1.447591428594571
Energy: 1.6173609074897426
Energy: 1.3410021178443363
Energy: 1.4189614189488313
Energy: 1.3410021178431382
Energy: 1.6743315645514654
Energy: 1.4165083642656553
Energy: 1.4161689175809549
Energy: 1.416508364268052
Energy: 1.6175625249522056
Energy: 1.4176357349163742
Energy: 1.4434082803486603
Energy: 1.4176357349175728
Energy: 1.532432059545721
Energy: 1.531853338672957
Energy: 1.5159243522510961
Energy: 1.5318533386753534
Energy: 1.5427142061403
Energy: 1.496285786743345
Energy: 1.4502973657304472
Energy: 1.496285786740948
Energy: 1.538319998197587
Energy: 1.490581972022823
Energy: 1.5468952217107355
Energy: 1.490581972022823
Energy: 1.542959655484779
Energy: 1.5626754160445928
Energy: 1.4323446317176638
Energy: 1.562675416045791
Energy: 1.6924111033838425
Energy: 1.5421141578659225
Energy: 1.5439771440568175
Energy: 1.5421141578671207

minimum gb energy = 1.3410021178431382 eV
minimum distance =  2.21742071342115 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.213952350602054
Energy: 1.525440414767032
Energy: 1.5375262449228837
Energy: 1.5254404147636424
Energy: 1.3975546742803917
Energy: 1.3764038783616022
Energy: 1.526928690415379
Energy: 1.3764038783674566
Energy: 1.4052370978601885
Energy: 1.3768134169197985
Energy: 1.5011309483754016
Energy: 1.3768134169197985
Energy: 1.376949919461277
Energy: 1.3756420245573833
Energy: 1.679462854460017
Energy: 1.3756420245556886
Energy: 1.3946235832632448
Energy: 1.3946435435163942
Energy: 1.6217553747929394
Energy: 1.3946435435163942
Energy: 1.3748139351371627
Energy: 1.39472934125375
Energy: 1.6225037568144574
Energy: 1.3947293412554447
Energy: 1.6250721167667463
Energy: 1.3979723495988028
Energy: 1.3756082326852015
Energy: 1.3979723495996503
Energy: 1.5239591060082722
Energy: 1.3956800290652787
Energy: 1.3915165550787691
Energy: 1.395680029067821
Energy: 1.6336975329748131
Energy: 1.3736157004348117
Energy: 1.3734224346451103
Energy: 1.3736157004339642
Energy: 1.6245297168586394
Energy: 1.3874550426896108
Energy: 1.3955009643285337
Energy: 1.3874550426912284
Energy: 1.523265334522763
Energy: 1.5321672058874034
Energy: 1.4965076789315646
Energy: 1.5321672058924878
Energy: 1.5317649513803242
Energy: 1.5292209310639957
Energy: 1.622946376677276
Energy: 1.5292209310656906
Energy: 1.5290167587126577
Energy: 1.471452544709402
Energy: 1.5384911154680807
Energy: 1.4714525447127917
Energy: 1.5059102285521724
Energy: 1.4691871810217276
Energy: 1.3830763178568848
Energy: 1.469187181020033
Energy: 1.5382861105247205
Energy: 1.4716915826440402
Energy: 1.4203398964721046
Energy: 1.4716915826448878
Energy: 1.6240218318740167
Energy: 1.5235500020236987
Energy: 1.5305286554435575
Energy: 1.5235500020236987
Energy: 1.4199590640690725
Energy: 1.5320147224148117
Energy: 1.5130587367974169
Energy: 1.5320147224122693
Energy: 1.396213325386806
Energy: 1.3861513218549424
Energy: 1.4990519986766861
Energy: 1.3861513218557897
Energy: 1.3690982260147886
Energy: 1.3740216077127232
Energy: 1.6314723469329948
Energy: 1.374021607709334
Energy: 1.394542476315495
Energy: 1.394780225649483
Energy: 1.6206581678854735
Energy: 1.3947802256486357
Energy: 1.3764873553663854
Energy: 1.3970811687665876
Energy: 1.6224455281012753
Energy: 1.3970811687648927
Energy: 1.6817869063135449
Energy: 1.395525270295882
Energy: 1.3753138274795411
Energy: 1.395525270295882
Energy: 1.6231953909521752
Energy: 1.395528812699477
Energy: 1.3939780866424398
Energy: 1.3955288126986294
Energy: 1.6798568468372121
Energy: 1.3751742915299978
Energy: 1.3762118723849324
Energy: 1.3751742915257608
Energy: 1.6269563082632625
Energy: 1.3768170368764236
Energy: 1.390504624920413
Energy: 1.3768170368738817
Energy: 1.634438893242708
Energy: 1.37577106224382
Energy: 1.3990242872021565
Energy: 1.3757710622404304
Energy: 1.5199472302063948
Energy: 1.5195708448462555
Energy: 1.9162211370576454
Energy: 1.5195708448513396
Energy: 1.5293446234035195
Energy: 1.489346046022789
Energy: 1.398728242757215
Energy: 1.4893460460210939
Energy: 1.5059595065297648
Energy: 1.472599148058324
Energy: 1.5169396995873115
Energy: 1.4725991480574767
Energy: 1.5346443356907715
Energy: 1.4718768781517804
Energy: 1.3823431466927796
Energy: 1.471876878152628
Energy: 1.6177171824389396
Energy: 1.5285256694028027
Energy: 1.5330057346664707
Energy: 1.5285256694002605

minimum gb energy = 1.3690982260147886 eV
minimum distance =  2.18840389300871 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.2746733523999068
Energy: 1.411836062770063
Energy: 1.3379127885759474
Energy: 1.411836062770916
Energy: 1.3971283024721801
Energy: 1.466657861358855
Energy: 1.3350591506919571
Energy: 1.466657861358855
Energy: 1.3248523527976
Energy: 1.4106295564581444
Energy: 1.286797527776654
Energy: 1.4106295564584395
Energy: 1.282453975109192
Energy: 1.319819542090398
Energy: 1.333122988076513
Energy: 1.3198195420895122
Energy: 1.329795008795376
Energy: 1.3257058722349073
Energy: 1.2833031527827954
Energy: 1.325705872237203
Energy: 1.3281069496447302
Energy: 1.4248967469234326
Energy: 1.283921251572121
Energy: 1.4248967469225802
Energy: 1.2866388694882727
Energy: 1.4116472844897339
Energy: 1.3297450061926015
Energy: 1.411647284490029
Energy: 1.3332617751194542
Energy: 1.334231722569803
Energy: 1.2811331873666203
Energy: 1.334231722569803
Energy: 1.283313703007834
Energy: 1.3241195396535235
Energy: 1.334596541271712
Energy: 1.324119539652966

minimum gb energy = 1.2746733523999068 eV
minimum distance =  2.23916629134977 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.7737172252848403
Energy: 1.2975574951489615
Energy: 1.529536989796932
Energy: 1.2975574951609685
Energy: 1.4749537488146203
Energy: 1.3002999862500484
Energy: 1.5277083359325885
Energy: 1.3002999862500484
Energy: 1.526902370526937
Energy: 1.4159529340674644
Energy: 1.5257773925299483
Energy: 1.415952934066664
Energy: 1.325621607392383
Energy: 1.415573675197105
Energy: 1.5179026738608403
Energy: 1.4155736751987062
Energy: 1.4750975446991426
Energy: 1.295803078445344
Energy: 1.5217954375316243
Energy: 1.2958030784477452
Energy: 1.2980508227604395
Energy: 1.3432207481675515
Energy: 1.5225568656112414
Energy: 1.343220748168352
Energy: 1.2960252810778796
Energy: 1.29549038094853
Energy: 1.519106590759682
Energy: 1.29549038094853
Energy: 1.2998708831486592
Energy: 1.3024800583271208
Energy: 1.713696680582609
Energy: 1.3024800583287217
Energy: 1.4869884126347692
Energy: 1.3607945832516792
Energy: 1.7128187742755938
Energy: 1.3607945832516792
Energy: 1.545586985507359
Energy: 1.2734113122013915
Energy: 1.2762554938287807
Energy: 1.2734113122013915
Energy: 1.3245639536566338
Energy: 1.2706519113344308
Energy: 1.2728384776500403
Energy: 1.2706519113328296
Energy: 1.7123325682426433
Energy: 1.2708372626744469
Energy: 1.2709474253289337
Energy: 1.270837262675247
Energy: 1.7193384946387065
Energy: 1.270033063153828
Energy: 1.512392271001659
Energy: 1.2700330631530272
Energy: 1.323312300589563
Energy: 1.3547696315368234
Energy: 1.5217747255180198
Energy: 1.3547696315376239
Energy: 1.2968443720508813
Energy: 1.2967694522361908
Energy: 1.5241641338738532
Energy: 1.2967694522353905
Energy: 1.3054226132669582
Energy: 1.299980291855279
Energy: 1.4750243626615438
Energy: 1.299980291855279
Energy: 1.2962898232131317
Energy: 1.2957824056765692
Energy: 1.3195780437476028
Energy: 1.2957824056780975
Energy: 1.532195263429427
Energy: 1.3026359191278447
Energy: 1.3296539370452598
Energy: 1.3026359191278447
Energy: 1.5296403874896913
Energy: 1.4189628273989559
Energy: 1.5291535869605415
Energy: 1.4189628273981552
Energy: 1.5618399620934467
Energy: 1.2953082716502793
Energy: 1.3204768527319664
Energy: 1.2953082716502793
Energy: 1.5240530454735108
Energy: 1.3150204647859225
Energy: 1.4788308954584133
Energy: 1.3150204647859225
Energy: 1.521267470237668
Energy: 1.2952285108015213
Energy: 1.2949771136387442
Energy: 1.2952285107999209
Energy: 1.5175416865822546
Energy: 1.2962706355831954
Energy: 1.2994725404395286
Energy: 1.2962706355831954
Energy: 1.7055975952719675
Energy: 1.3011436902520408
Energy: 1.3073650080318056
Energy: 1.3011436902528415
Energy: 1.7164070931797353
Energy: 1.3533626313251816
Energy: 1.482211117952599
Energy: 1.3533626313243812
Energy: 1.2730763554636684
Energy: 1.2742962163192582
Energy: 1.5459232474630173
Energy: 1.2742962163216596
Energy: 1.273436843246643
Energy: 1.2725489801894876
Energy: 1.4851953639347837
Energy: 1.272548980191088
Energy: 1.2698200758557394
Energy: 1.2743767574986726
Energy: 1.3209880920444377
Energy: 1.2743767574986726
Energy: 1.2785195946098442
Energy: 1.2716976199524332
Energy: 1.709569617499941
Energy: 1.2716976199540344
Energy: 1.5229136718888354
Energy: 1.3522439680570488
Energy: 1.3264599791212897
Energy: 1.3522439680562484
Energy: 1.522241618842994
Energy: 1.2984439476888656
Energy: 1.3006297015869774
Energy: 1.2984439476904666
Energy: 1.4740938836392832
Energy: 1.2985524022671293
Energy: 1.3008401695579883
Energy: 1.2985524022671293
Energy: 1.3227601277877663
Energy: 1.2951260950346237
Energy: 1.2945096528862148
Energy: 1.295126095033023

minimum gb energy = 1.2698200758557394 eV
minimum distance =  2.20156794052389 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 2.088557179314418
Energy: 1.2589565405599181
Energy: 1.5102193275876572
Energy: 1.2589565405588115
Energy: 1.4657764894715988
Energy: 1.262368722493553
Energy: 1.5333004016177316
Energy: 1.262368722493553
Energy: 1.484239739898819
Energy: 1.4096512203209146
Energy: 1.5597047648402849
Energy: 1.4096512203187013
Energy: 1.419577609223913
Energy: 1.4095256863867385
Energy: 1.5572294712294137
Energy: 1.4095256863867385
Energy: 1.4178554054169221
Energy: 1.2664297544203105
Energy: 1.4277165334051651
Energy: 1.2664297544214174
Energy: 1.2676804695723372
Energy: 1.3133620249915148
Energy: 1.4290226358590785
Energy: 1.3133620249915148
Energy: 1.267157935729544
Energy: 1.266288620844072
Energy: 1.556771147617927
Energy: 1.2662886208429651
Energy: 1.2692687923064994
Energy: 1.2725735302633439
Energy: 1.6386614634626169
Energy: 1.272573530262237
Energy: 1.2666948160026632
Energy: 1.3590361197930683
Energy: 1.6398822036872283
Energy: 1.3590361197908545
Energy: 1.7359583241228083
Energy: 1.208731722583568
Energy: 1.352158496509953
Energy: 1.2087317225857814
Energy: 1.3207016743735864
Energy: 1.2102292784990132
Energy: 1.3653257892749604
Energy: 1.2102292784990132
Energy: 1.702353731139594
Energy: 1.2075538568048716
Energy: 1.3328043964131744
Energy: 1.2075538568037647
Energy: 1.7020704845123744
Energy: 1.2079462233051022
Energy: 1.336649971529633
Energy: 1.2079462233051022
Energy: 1.2723730893167633
Energy: 1.3527752008863088
Energy: 1.6143972681577734
Energy: 1.3527752008852016
Energy: 1.4207231106299616
Energy: 1.3517322986108964
Energy: 1.6144354022561966
Energy: 1.3517322986097897
Energy: 1.424938271158206
Energy: 1.4718482492015306
Energy: 1.2990487031640854
Energy: 1.4718482492037441
Energy: 1.2836158934498678
Energy: 1.267941227897478
Energy: 1.4260017405986114
Energy: 1.267941227899691
Energy: 1.3202386998135538
Energy: 1.2734773281490084
Energy: 1.4603471883420047
Energy: 1.2734773281490084
Energy: 1.2773361713984763
Energy: 1.267361671205006
Energy: 1.6408995958610242
Energy: 1.267361671205006
Energy: 1.2673919965131735
Energy: 1.2720160971968084
Energy: 1.638624198098603
Energy: 1.2720160971968084
Energy: 1.6750795044632387
Energy: 1.258011305178945
Energy: 1.5085817237796504
Energy: 1.2580113051778383
Energy: 1.6430012271850785
Energy: 1.2608570270113082
Energy: 1.2622935297174873
Energy: 1.2608570270124149
Energy: 1.4190189138995755
Energy: 1.258716599170827
Energy: 1.2591662646022077
Energy: 1.2587165991697202
Energy: 1.6734602791880473
Energy: 1.2583544373913307
Energy: 1.2579573206533436
Energy: 1.2583544373924378

minimum gb energy = 1.2075538568037647 eV
minimum distance =  2.18914836219065 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 2.0241995963614867
Energy: 1.2346501768257045
Energy: 1.4968483885274775
Energy: 1.2346501771751432
Energy: 1.285856889633435
Energy: 1.2315470939020299
Energy: 1.4313220589000635
Energy: 1.231547093901346
Energy: 1.5992862829652374
Energy: 1.2266639358739468
Energy: 1.4282344265462414
Energy: 1.2266639358712104
Energy: 1.6026324997541472
Energy: 1.3101651672938215
Energy: 1.3844775807098324
Energy: 1.3101651672938215
Energy: 1.3674224087817906
Energy: 1.2090217075736989
Energy: 1.6083530248217544
Energy: 1.2090217075730147
Energy: 1.210604547481837
Energy: 1.2077902766316178
Energy: 1.560910641352044
Energy: 1.2077902766316178
Energy: 1.2105178518798991
Energy: 1.2077253849729983
Energy: 1.249804927243258
Energy: 1.2077253849723144
Energy: 1.2220906886855658
Energy: 1.211360676010295
Energy: 1.5881303882776994
Energy: 1.211360676010979
Energy: 1.5715660587421394
Energy: 1.2131012752481354
Energy: 1.5288634206889344
Energy: 1.2131012752481354
Energy: 1.4331466738526548
Energy: 1.3111993267374868
Energy: 1.4004851152785724
Energy: 1.3111993267374868
Energy: 1.5643788599208337
Energy: 1.2271852971987571
Energy: 1.2427298194147225
Energy: 1.2271852971994415
Energy: 1.5575376968406465
Energy: 1.2361318041425593
Energy: 1.3873351263412783
Energy: 1.2361318041411908
Energy: 1.5619531251626404
Energy: 1.2274069891783856
Energy: 1.2280990791505937
Energy: 1.2274069891796915
Energy: 1.2264268627000388
Energy: 1.2274168097347256
Energy: 1.2314334675091358
Energy: 1.2274168097367777
Energy: 1.5973250675559603
Energy: 1.2313825696229548
Energy: 1.2362231678932336
Energy: 1.231382569623639
Energy: 1.5894313073423074
Energy: 1.2295501910987858
Energy: 1.2292065271236028
Energy: 1.2295501910987858
Energy: 1.2309067225479267
Energy: 1.4080168897782366
Energy: 1.6027569746347263
Energy: 1.4080168897789205
Energy: 1.2274703469639892
Energy: 1.2274395991063376
Energy: 1.5733097886863758
Energy: 1.2274395991056535
Energy: 1.2794248372211101
Energy: 1.2315992717776776
Energy: 1.525238138801571
Energy: 1.23159927177973
Energy: 1.230362025358266
Energy: 1.22885835186126
Energy: 1.5881130718386196
Energy: 1.228858351861944
Energy: 1.4267450943670719
Energy: 1.2301856457396725
Energy: 1.241359294244698
Energy: 1.2301856457410405
Energy: 1.429373588269085
Energy: 1.2275433328252912
Energy: 1.5970824268132966
Energy: 1.2275433328239231
Energy: 1.2863388321429872
Energy: 1.3065208632059215
Energy: 1.600146263924515
Energy: 1.3065208632045533
Energy: 1.6102811509907096
Energy: 1.2104938099928317
Energy: 1.3673096273921088
Energy: 1.210493809994822
Energy: 1.5582333428260062
Energy: 1.2243617936488156
Energy: 1.2081226244550793
Energy: 1.224361793651552
Energy: 1.2718787516051588
Energy: 1.209133211268618
Energy: 1.2152841392449387
Energy: 1.2091332112672495
Energy: 1.589810769213906
Energy: 1.2115545728074668
Energy: 1.2183451649244477
Energy: 1.2115545728088348
Energy: 1.3894065135472755
Energy: 1.2117402158503399
Energy: 1.559610258082834
Energy: 1.2117402158482877
Energy: 1.4011892112145898
Energy: 1.3112309108556024
Energy: 1.4266634857836522
Energy: 1.3112309108562865
Energy: 1.2445207138461825
Energy: 1.2265294175322012
Energy: 1.5617508577698804
Energy: 1.2265294175322012
Energy: 1.3853144242987432
Energy: 1.2271523706797518
Energy: 1.5596867101234695
Energy: 1.2271523706776992
Energy: 1.2269344112128902
Energy: 1.2279382186248167
Energy: 1.5604960132114174
Energy: 1.2279382186234484
Energy: 1.226965921661359
Energy: 1.2258990346342766
Energy: 1.4216461161651806
Energy: 1.2258990346335925
Energy: 1.2418636505567036
Energy: 1.2315039457576353
Energy: 1.6020718361420605
Energy: 1.2315039457569512
Energy: 1.4277456900577143
Energy: 1.28046073548772
Energy: 1.5896352823831457
Energy: 1.2804607354856679
Energy: 1.825034474252682
Energy: 1.2347715809383124
Energy: 1.2322498343122137
Energy: 1.2347715809376283
Energy: 1.5668723341353683
Energy: 1.2264634162728116
Energy: 1.2274016613090981
Energy: 1.2264634162741797
Energy: 1.5761992181095257
Energy: 1.2345162702960082
Energy: 1.2296247219785783
Energy: 1.2345162702960082

minimum gb energy = 1.2077253849723144 eV
minimum distance =  2.20674622758766 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.1487140793267296
Energy: 1.1289585017050812
Energy: 1.1300157426452362
Energy: 1.1289585017050812
Energy: 1.1673273119145584
Energy: 1.2563454441422608
Energy: 1.1300703252758686
Energy: 1.2563454441422608
Energy: 1.1148798313794588
Energy: 1.2585495313400752
Energy: 1.1653892497677238
Energy: 1.2585495313400752
Energy: 1.1160881955683026
Energy: 1.259637137011656
Energy: 1.1274099695993147
Energy: 1.259637137011656
Energy: 1.1255142944094476
Energy: 1.1276585718539507
Energy: 1.15294069294174
Energy: 1.1276585718539507
Energy: 1.1258556979772651
Energy: 1.1260938359139772
Energy: 1.1522708817882734
Energy: 1.1260938359139772
Energy: 1.1250853704583679
Energy: 1.1240929645511506
Energy: 1.1280130291257637
Energy: 1.1240929645511506
Energy: 1.127291500279979
Energy: 1.1279620335205918
Energy: 1.114589918822909
Energy: 1.1279620335205918
Energy: 1.129569014990794
Energy: 1.1308779743800763
Energy: 1.113926319376406
Energy: 1.1308779743818662
Energy: 1.1664026384812156
Energy: 1.2582467714775458
Energy: 1.164306393646449
Energy: 1.2582467714775458
Energy: 1.1278160181901908
Energy: 1.2575570636157865
Energy: 1.1131736944122315
Energy: 1.2575570636139966
Energy: 1.1520009658971946
Energy: 1.1263361346038374
Energy: 1.129428373367766
Energy: 1.1263361346038374
Energy: 1.1529459596178537
Energy: 1.1298492382221457
Energy: 1.127297964533066
Energy: 1.1298492382239356
Energy: 1.161482028428864
Energy: 1.1232692485847053
Energy: 1.1234235281842713
Energy: 1.1232692485847053
Energy: 1.1138005331373642
Energy: 1.1283780024903538
Energy: 1.1276778256518531
Energy: 1.1283780024903538

minimum gb energy = 1.1131736944122315 eV
minimum distance =  2.23171166998109 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.9067293640570695
Energy: 1.0824459342844335
Energy: 1.401533351490267
Energy: 1.0824459343946464
Energy: 1.2817573234466992
Energy: 1.0769345983641176
Energy: 1.302333664769287
Energy: 1.076934598358116
Energy: 1.0805125426907418
Energy: 1.076888734369286
Energy: 1.2835988866925698
Energy: 1.0768887343662852
Energy: 1.476876557642935
Energy: 1.0809306873344056
Energy: 1.2601363535122705
Energy: 1.0809306873351556
Energy: 1.4775227403241868
Energy: 1.077990532185188
Energy: 1.3024354870948136
Energy: 1.0779905321829375
Energy: 1.283055609308024
Energy: 1.0781781518192723
Energy: 1.3049392869641414
Energy: 1.0781781518207045
Energy: 1.2795973587173373
Energy: 1.0769677617484505
Energy: 1.5017670010558382
Energy: 1.0769677617477003
Energy: 1.2602226543930979
Energy: 1.0789622615802361
Energy: 1.2928179420001822
Energy: 1.0789622615817365
Energy: 1.1031563374862312
Energy: 1.0806921947589418
Energy: 1.2622605487446423
Energy: 1.0806921947656936
Energy: 1.077189609757379
Energy: 1.0762371569530222
Energy: 1.2631940051689812
Energy: 1.0762371569537725
Energy: 1.0775142540004892
Energy: 1.0860791594819703
Energy: 1.908309784168046
Energy: 1.0860791594752186
Energy: 1.2848352484443193
Energy: 1.0751530134229224
Energy: 1.2632813875054922
Energy: 1.0751530134221723
Energy: 1.3068413442773543
Energy: 1.1521602022968722
Energy: 1.279468743628293
Energy: 1.1521602022961224
Energy: 1.4751288137418652
Energy: 1.1566681774529268
Energy: 1.4769388136486878
Energy: 1.1566681774551777
Energy: 1.2973527622987953
Energy: 1.0789572733168926
Energy: 1.4706799764563183
Energy: 1.078957273319143
Energy: 1.295750746239105
Energy: 1.0787441907714135
Energy: 1.081252897268555
Energy: 1.0787441907714135
Energy: 1.4714576004662963
Energy: 1.077065260825425
Energy: 1.0778102195251051
Energy: 1.077065260818673
Energy: 1.509767024647212
Energy: 1.0789194278199643
Energy: 1.0860316758448882
Energy: 1.078919427819214
Energy: 1.422279741003758
Energy: 1.0796854347109974
Energy: 1.2531885734489254
Energy: 1.0796854347117475
Energy: 1.2973114876773482
Energy: 1.0752317310758974
Energy: 1.2814781111670348
Energy: 1.0752317310758974
Energy: 1.4760986436683028
Energy: 1.0846280230907817
Energy: 1.254494974705243
Energy: 1.084628023092282
Energy: 1.2626948774282265
Energy: 1.0761471983975457
Energy: 1.3051630907754297
Energy: 1.0761471983960453
Energy: 1.2900716795993303
Energy: 1.0784901350093952
Energy: 1.302542682206336
Energy: 1.0784901350131462
Energy: 1.081991426293539
Energy: 1.0749659085513363
Energy: 1.4716230621889081
Energy: 1.0749659085625896
Energy: 1.2577210233943428
Energy: 1.0774851182503449
Energy: 1.2949921339163313
Energy: 1.0774851182503449
Energy: 1.0785080782264693
Energy: 1.1034064898015385
Energy: 1.293764623700655
Energy: 1.1034064897947866
Energy: 1.0760515613430397
Energy: 1.074563653421582
Energy: 1.4762417750090797
Energy: 1.074563653420832
Energy: 1.0764468040683839
Energy: 1.082180656011425
Energy: 1.137852900229257
Energy: 1.0821806560121754
Energy: 1.2524538372789225
Energy: 1.0778908035640533
Energy: 1.4242494071480372
Energy: 1.0778908035573014
Energy: 1.2790750442165322
Energy: 1.157405505338135
Energy: 1.2813166969008454
Energy: 1.1574055053448868
Energy: 1.4707708653204559
Energy: 1.1636779193904894
Energy: 1.4782500004776804
Energy: 1.1636779193837372
Energy: 1.2954036884778652
Energy: 1.0777513258983413
Energy: 1.2540177935353494
Energy: 1.077751325899842
Energy: 1.2976162585260789
Energy: 1.0800287988265664
Energy: 1.0776108654414664
Energy: 1.0800287988333181
Energy: 1.4720004782119667
Energy: 1.0747713260334395
Energy: 1.0764635017495767
Energy: 1.0747713260394414
Energy: 1.4215673744967505
Energy: 1.0776121102649872
Energy: 1.083920414107119
Energy: 1.077612110267988

minimum gb energy = 1.074563653420832 eV
minimum distance =  2.2273534093579 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.6719809748411243
Energy: 0.9885043472939705
Energy: 0.9915883163224697
Energy: 0.9885043472939705
Energy: 1.62747591385462
Energy: 0.989960843417413
Energy: 1.2994801699543679
Energy: 0.989960843417413
Energy: 1.6036934868275514
Energy: 0.987983165308986
Energy: 1.3089096353763343
Energy: 0.987983165308986
Energy: 1.6048186377811897
Energy: 1.127277053404459
Energy: 1.2995820107957559
Energy: 1.1272770534160754
Energy: 1.6263646452884686
Energy: 1.1262215705790573
Energy: 1.3013019501062155
Energy: 1.1262215705790573
Energy: 1.1834046839183712
Energy: 0.989193555302207
Energy: 1.3486064443823778
Energy: 0.989193555302207
Energy: 0.981757345330905
Energy: 0.9876159919762104
Energy: 1.6258939537113775
Energy: 0.9876159919749198
Energy: 1.006559150526565
Energy: 0.9883372945525374
Energy: 1.616192746877096
Energy: 0.9883372945525374
Energy: 0.9888611996016842
Energy: 0.9878154750512093
Energy: 1.6157098740437128
Energy: 0.9878154750512093
Energy: 0.9878931489523496
Energy: 0.989962868133798
Energy: 1.4906469152513284
Energy: 0.989962868133798
Energy: 0.9915883161870035
Energy: 0.9885043472862556
Energy: 1.6719809748398335
Energy: 1.0632297231289087
Energy: 1.2994801699543679
Energy: 0.9899608434187037
Energy: 1.49047718486385
Energy: 0.9899608434187037
Energy: 1.3089096353750433
Energy: 0.987983165308986
Energy: 1.6036934868288422
Energy: 0.987983165308986
Energy: 1.2995820107957559
Energy: 1.1272770534057497
Energy: 1.6048186377811897
Energy: 1.1272770534057497
Energy: 1.3013019501049248
Energy: 1.1262215705790573
Energy: 1.6263646452884686
Energy: 1.1262215705790573
Energy: 1.5217747327397486
Energy: 0.9891935553009162
Energy: 0.9814650169842987
Energy: 0.989193555302207
Energy: 1.625893953699761
Energy: 0.9876159919749198
Energy: 0.981757345330905
Energy: 0.9876159919749198
Energy: 1.6161927468758053
Energy: 0.9883372945525374
Energy: 1.0065591505278557
Energy: 0.9883372945525374
Energy: 1.615709874033387
Energy: 0.9878154750512093
Energy: 0.9888611996029748
Energy: 0.9878154750512093
Energy: 1.60567045838167
Energy: 0.9899628681325072
Energy: 0.9878931489523496
Energy: 0.989962868133798

minimum gb energy = 0.9814650169842987 eV
minimum distance =  2.23619689508432 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.1514026184874604
Energy: 0.9018572634708104
Energy: 0.9043071373713678
Energy: 0.9018572635251899
Energy: 1.8419526212806638
Energy: 0.902872249239965
Energy: 1.1625256148681729
Energy: 0.902872249238957
Energy: 1.719172559689044
Energy: 0.901694450072021
Energy: 1.1610665346903069
Energy: 0.901694450072021
Energy: 1.50066613186411
Energy: 0.9069372469499999
Energy: 1.3799010309440922
Energy: 0.906937246948992
Energy: 1.8340584758972378
Energy: 1.0119668692863006
Energy: 1.6185374523033196
Energy: 1.0119668692852928
Energy: 1.5031298021773705
Energy: 1.0101242678758433
Energy: 1.6201006600670158
Energy: 1.0101242678758433
Energy: 1.5093089042007124
Energy: 0.8959555367892429
Energy: 1.6191952517127017
Energy: 0.8959555367912586
Energy: 1.4038883522135708
Energy: 0.9005772274812346
Energy: 1.7085114650247775
Energy: 0.9005772274822426
Energy: 1.1536525162328937
Energy: 0.8966039893795694
Energy: 1.6228846566259816
Energy: 0.8966039893785616
Energy: 1.1572944982948297
Energy: 0.8974614051696171
Energy: 1.8123194265882463
Energy: 0.8974614051696171
Energy: 1.0163805958208827
Energy: 0.8850379982346487
Energy: 1.8450716135910457
Energy: 0.8850379982386802
Energy: 1.0157452272965792
Energy: 0.8984191107460476
Energy: 1.8122014616716637
Energy: 0.8984191107440319
Energy: 1.022078381755526
Energy: 0.8872344230687205
Energy: 1.8132408018045245
Energy: 0.8872344230677126
Energy: 1.271189811517803
Energy: 0.8847818337376039
Energy: 1.806338054493301
Energy: 0.8847818337355882
Energy: 1.272632376541803
Energy: 0.8852142954094772
Energy: 1.8113596234523635
Energy: 0.8852142954084693
Energy: 1.2725297697736555
Energy: 0.8859558374533203
Energy: 1.719544516383898
Energy: 0.8859558374543283
Energy: 1.5963975038103337
Energy: 0.8871111880295597
Energy: 1.7196123674053705
Energy: 0.8871111880285518
Energy: 1.2789909172030625
Energy: 1.011827206792106
Energy: 1.3952306413008873
Energy: 1.0118272067880747
Energy: 1.61747932042672
Energy: 1.006712770164076
Energy: 1.50733882578672
Energy: 1.006712770165084
Energy: 1.8347141195438783
Energy: 1.0051085438013365
Energy: 1.5035243134898717
Energy: 1.0051085437993208
Energy: 1.8478672281115909
Energy: 0.9027123057581802
Energy: 1.1594929512844727
Energy: 0.9027123057561643
Energy: 1.8433813545772995
Energy: 0.9008237512363755
Energy: 1.0205816338385663
Energy: 0.9008237512353676
Energy: 1.7296040587442763
Energy: 0.9055402943314715
Energy: 1.1608702004166624
Energy: 0.9055402943294559
Energy: 1.7072005646231403
Energy: 0.9011766857176466
Energy: 0.9106171590161629
Energy: 0.9011766857156309
Energy: 1.8351011411896243
Energy: 0.9023582777033629
Energy: 0.9046604642265417
Energy: 0.9023582777023549
Energy: 1.7143947167727536
Energy: 0.9158505445067732
Energy: 0.9047346303639282
Energy: 0.915850544507781

minimum gb energy = 0.8847818337355882 eV
minimum distance =  2.22414365413013 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 2.1948023643641763
Energy: 0.8166900963153818
Energy: 1.205152378959962
Energy: 0.8166901569955203
Energy: 1.7781700376291552
Energy: 0.8129453073277094
Energy: 1.0308611313078946
Energy: 0.8129453073285356
Energy: 1.9502228654605374
Energy: 0.8124102468151154
Energy: 1.032061529962666
Energy: 0.8124102468151154
Energy: 1.595591009759184
Energy: 0.8198336012717614
Energy: 1.4200744768469622
Energy: 0.8198336012833296
Energy: 1.6160391524894777
Energy: 0.810673479707088
Energy: 1.4254561319664225
Energy: 0.8106734797054355
Energy: 1.599263631105153
Energy: 0.8133849012796376
Energy: 1.4206396512315687
Energy: 0.8133849012812902
Energy: 1.6042844165780694
Energy: 0.9057397356435675
Energy: 1.7822936362931507
Energy: 0.9057397356443938
Energy: 1.4233555511572256
Energy: 0.9091593979557613
Energy: 1.4260344481501703
Energy: 0.9091593979532824
Energy: 1.2369089238305926
Energy: 0.8113006352315207
Energy: 1.7762681700650573
Energy: 0.8113006352306945
Energy: 1.2375669773354474
Energy: 0.8105530454147691
Energy: 1.7774019409689217
Energy: 0.8105530454147691
Energy: 1.0254146087470848
Energy: 0.8186311052984883
Energy: 1.7707837490619514
Energy: 0.8186311053001408
Energy: 1.0253402824188884
Energy: 0.8110773905519356
Energy: 1.7769101900066901
Energy: 0.8110773905486305
Energy: 1.0355206228486424
Energy: 0.8152380585310397
Energy: 1.7723732033474882
Energy: 0.8152380585302134
Energy: 0.8132120658392912
Energy: 0.8224233155801883
Energy: 1.7690917929607917
Energy: 0.8224233155752305
Energy: 0.8155874918961117
Energy: 0.8124577401639013
Energy: 1.9535933862708708
Energy: 0.8124577401655538
Energy: 0.8216079957849444
Energy: 0.8148073549527324
Energy: 1.9505859206265868
Energy: 0.814807354951906
Energy: 1.0251638503908118
Energy: 0.8182293361005888
Energy: 1.9413733694913835
Energy: 0.8182293361014151
Energy: 1.0246316584900528
Energy: 0.8103771491270506
Energy: 1.9525206901981802
Energy: 0.8103771491262244
Energy: 1.0294152254995037
Energy: 0.8162296576222351
Energy: 1.6012306107818852
Energy: 0.8162296576222351
Energy: 1.4255839660683718
Energy: 0.8138042217290683
Energy: 1.5997383520490338
Energy: 0.8138042217340261
Energy: 1.4276262196830063
Energy: 0.8119225438225385
Energy: 1.7768829614360837
Energy: 0.8119225438217123
Energy: 1.4265589477166707
Energy: 0.9051042446459137
Energy: 1.6088751926425375
Energy: 0.9051042446459137
Energy: 1.7771392912004293
Energy: 0.9007515800371515
Energy: 1.598485472889437
Energy: 0.9007515800379778
Energy: 1.4243567965838557
Energy: 0.906585912914953
Energy: 1.4245201099305582
Energy: 0.906585912914953
Energy: 1.7797264688786396
Energy: 0.8116086399419772
Energy: 1.233032588638096
Energy: 0.8116086399428034
Energy: 1.778045800236702
Energy: 0.813196992739913
Energy: 1.4221624846694383
Energy: 0.813196992739913
Energy: 1.7824697502955729
Energy: 0.8167130968162076
Energy: 1.0305382288919878
Energy: 0.8167130968178602
Energy: 1.9506509332059643
Energy: 0.8109907440477545
Energy: 1.0239402858507178
Energy: 0.8109907440477545
Energy: 1.7796582977253634
Energy: 0.8171468384471262
Energy: 1.0348292357563655
Energy: 0.8171468384462998
Energy: 1.7750711205554899
Energy: 0.8150157936865707
Energy: 0.8134029870897005
Energy: 0.8150157936849183
Energy: 1.9531634401681492
Energy: 0.8121575184966613
Energy: 0.8144137177888645
Energy: 0.8121575184983139
Energy: 1.9407780325123845
Energy: 0.821402924083858
Energy: 0.8132379018950638
Energy: 0.8214029240863369

minimum gb energy = 0.8103771491262244 eV
minimum distance =  2.2383662723557 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.9009163251670245
Energy: 0.7567909755119056
Energy: 1.164750216103727
Energy: 0.7567909904513581
Energy: 1.8913737827820445
Energy: 0.7549919670555726
Energy: 0.941867029709379
Energy: 0.7549919670555726
Energy: 2.0428532219491937
Energy: 0.7538875819805548
Energy: 0.9403631589680972
Energy: 0.7538875819826549
Energy: 1.754464423399939
Energy: 0.7596258515900216
Energy: 1.2918922204012349
Energy: 0.7596258515914215
Energy: 1.755184626133042
Energy: 0.750928583748479
Energy: 1.2764087692458561
Energy: 0.750928583749179
Energy: 1.7431788310165137
Energy: 0.7519663916978272
Energy: 1.2752110574022666
Energy: 0.7519663916992273
Energy: 1.4344511343271467
Energy: 0.7583192514275302
Energy: 1.5956056725399794
Energy: 0.7583192514177303
Energy: 1.6023487496548765
Energy: 0.836704090810421
Energy: 1.2729979299186234
Energy: 0.836704090809721
Energy: 1.4318893317953967
Energy: 0.8282325862204087
Energy: 1.5874297978568106
Energy: 0.8282325862197089
Energy: 1.430699590909549
Energy: 0.828536421150713
Energy: 1.8909437407456597
Energy: 0.8285364211451767
Energy: 1.2896557025445379
Energy: 0.7547050020452388
Energy: 1.5857297420749512
Energy: 0.754705002041739
Energy: 1.1123008556524854
Energy: 0.7509129209618769
Energy: 1.8902347011283007
Energy: 0.7509129209618769
Energy: 1.2772540174338718
Energy: 0.7522007257142141
Energy: 1.891299856987757
Energy: 0.7522007257135143
Energy: 0.9375642511115918
Energy: 0.7591441737960087
Energy: 1.5979495756380369
Energy: 0.7591441737974088
Energy: 0.9313511117184363
Energy: 0.7512946380418799
Energy: 2.0414393409901663
Energy: 0.7512946380432799
Energy: 0.94031480816143
Energy: 0.7545450571394269
Energy: 1.8951223204002803
Energy: 0.7545450571387268
Energy: 0.7567554736059019
Energy: 0.7579407633306653
Energy: 1.9012748716043297
Energy: 0.7579407633306653
Energy: 0.7516845112988126
Energy: 0.752097410416709
Energy: 2.0400589532431934
Energy: 0.7520974104188088
Energy: 0.7689109742298157
Energy: 0.7571552956011663
Energy: 1.7480419058434185
Energy: 0.7571552956046663
Energy: 0.9440714849891517
Energy: 0.7548463782738645
Energy: 2.046270799824504
Energy: 0.7548463782724646
Energy: 0.9269255504209952
Energy: 0.7515236588877762
Energy: 2.04072424866006
Energy: 0.7515236588884762
Energy: 0.9471888903535969
Energy: 0.7583049873375348
Energy: 1.7525455465159963
Energy: 0.7583049873361348
Energy: 1.2771182141636437
Energy: 0.7528378614099647
Energy: 1.7401939171242038
Energy: 0.7528378614099647
Energy: 1.2780386394431205
Energy: 0.75140309712097
Energy: 1.893134498512743
Energy: 0.7514030971195699
Energy: 1.28669817984333
Energy: 0.7549632623485215
Energy: 1.4400212834987707
Energy: 0.7549632623443217
Energy: 1.5887467874512147
Energy: 0.8282203115409787
Energy: 1.8924973689769464
Energy: 0.8282203115444786
Energy: 1.2742647743488538
Energy: 0.8287089962515508
Energy: 1.589726832442603
Energy: 0.8287089962599506
Energy: 1.5986838623918833
Energy: 0.8367277600207158
Energy: 1.4437460675561113
Energy: 0.8367277600256158
Energy: 1.5919890938652406
Energy: 0.7553006712107717
Energy: 1.5941214496873548
Energy: 0.7553006712128717
Energy: 1.5871116197920079
Energy: 0.7523166359262271
Energy: 1.2773608398199512
Energy: 0.7523166359262271
Energy: 1.751627291403152
Energy: 0.7513034341921643
Energy: 1.1126258933100128
Energy: 0.7513034341949644
Energy: 1.595992712984328
Energy: 0.7583128414108462
Energy: 1.2896411567415618
Energy: 0.7583128414101463
Energy: 1.8923015493817332
Energy: 0.7540060547167949
Energy: 0.9388503491052828
Energy: 0.754006054715395
Energy: 2.044619967047546
Energy: 0.7542330771969309
Energy: 0.94103983191434
Energy: 0.7542330771969309
Energy: 1.8854883513162275
Energy: 0.7604422110350317
Energy: 0.7798934392092901
Energy: 0.7604422110343316
Energy: 1.8899232166935016
Energy: 0.7537357101174599
Energy: 0.7582855436180015
Energy: 0.7537357101188599
Energy: 2.0382771072331556
Energy: 0.7548138001030368
Energy: 0.7567678517143471
Energy: 0.7548138001016368

minimum gb energy = 0.7509129209618769 eV
minimum distance =  2.24373503185561 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 2.1268476743724842
Energy: 0.6844837877822003
Energy: 0.6844097762556641
Energy: 0.6844837874557183
Energy: 1.9616333535007628
Energy: 0.6866435835702063
Energy: 0.8451235684559362
Energy: 0.6866435835677778
Energy: 1.8912123334035458
Energy: 0.6859138963459891
Energy: 0.8454801435823377
Energy: 0.6859138963478104
Energy: 1.618919860407315
Energy: 0.6843245446069465
Energy: 1.1445857618328767
Energy: 0.6843245446087678
Energy: 1.8411735320714482
Energy: 0.6838359358214038
Energy: 1.143367798652888
Energy: 0.6838359358226179
Energy: 1.622707774917131
Energy: 0.6847180041240447
Energy: 1.1477071093755145
Energy: 0.6847180041216162
Energy: 1.6207587004300505
Energy: 0.6852701722390314
Energy: 1.4215256869407797
Energy: 0.6852701722378172
Energy: 1.69742486454484
Energy: 0.6838047193619101
Energy: 1.2092449167955643
Energy: 0.6838047193619101
Energy: 1.6239252832202058
Energy: 0.9630297575233009
Energy: 1.4234687272741808
Energy: 0.9630297575226937
Energy: 1.6242995220507102
Energy: 0.8153984073093502
Energy: 1.6947080953863154
Energy: 0.8153984073063147
Energy: 1.4227935007471622
Energy: 0.8149546660786171
Energy: 1.4857574003999703
Energy: 0.814954666066475
Energy: 1.3485246582759431
Energy: 0.6844965948770825
Energy: 1.6956353339080124
Energy: 0.6844965948831536
Energy: 1.4221817019091259
Energy: 0.6842421553688046
Energy: 1.7588720574340584
Energy: 0.6842421553681975
Energy: 1.1445816004103566
Energy: 0.686189059667111
Energy: 1.4828997391381216
Energy: 0.686189059667111
Energy: 1.0666193973115636
Energy: 0.684619345560298
Energy: 1.9579084613234268
Energy: 0.6846193455596908
Energy: 1.1441634985832358
Energy: 0.687159523118487
Energy: 1.7549962944282382
Energy: 0.687159523118487
Energy: 0.8391203115326074
Energy: 0.6845102211057293
Energy: 1.7548802100302108
Energy: 0.6845102211039081
Energy: 0.8382785116466369
Energy: 0.6847100294731635
Energy: 2.0267510197697365
Energy: 0.6847100294719494
Energy: 0.831549803819125
Energy: 0.6837421181766429
Energy: 2.0157487898622537
Energy: 0.6837421181766429
Energy: 0.7610993389495676
Energy: 0.6834866461212955
Energy: 2.0156143398442663
Energy: 0.683486646124938
Energy: 0.7588594919846865
Energy: 0.680370861265382
Energy: 2.089468671741179
Energy: 0.6803708612665962
Energy: 0.7619749831938922
Energy: 0.6801327270404685
Energy: 1.8203372935088473
Energy: 0.6801327270404685
Energy: 0.9223788094248904
Energy: 0.6804336171967744
Energy: 2.080129456807207
Energy: 0.6804336171967744
Energy: 0.920449152507053
Energy: 0.6834201505652421
Energy: 2.086748464323597
Energy: 0.6834201505646349
Energy: 0.9228707116541766
Energy: 0.6802804615338658
Energy: 1.6194953941237744
Energy: 0.6802804615132244
Energy: 1.1395433432506952
Energy: 0.6835913574544632
Energy: 2.023543463407538
Energy: 0.6835913574550703
Energy: 1.137567611941214
Energy: 0.6829688993219167
Energy: 1.8920990995192049
Energy: 0.6829688993225239
Energy: 1.3174950498472269
Energy: 0.6818205778177067
Energy: 1.6216591301873913
Energy: 0.6818205778158855
Energy: 1.4251763424463892
Energy: 0.6828802523165373
Energy: 1.8285045084598317
Energy: 0.6828802523165373
Energy: 1.422642890062105
Energy: 0.683075575667058
Energy: 1.6237677181533376
Energy: 0.6830755756986273
Energy: 1.6969018194319163
Energy: 0.8156593896260901
Energy: 1.3460182287114948
Energy: 0.8156593896273043
Energy: 1.4853484223333144
Energy: 0.814886128606913
Energy: 1.6468532202017911
Energy: 0.8148861286075201
Energy: 1.695938804241413
Energy: 0.9106410747577827
Energy: 1.3483693675985842
Energy: 0.9106410747547472
Energy: 1.96062054102614
Energy: 0.683904414681726
Energy: 1.3495408482009241
Energy: 0.6839044146847615
Energy: 1.4834864898576736
Energy: 0.6867238287636649
Energy: 1.1451300651357768
Energy: 0.6867238287654863
Energy: 1.9614198039332946
Energy: 0.6838870823012331
Energy: 1.1433681840402563
Energy: 0.6838870822994116
Energy: 2.018981320709847
Energy: 0.6849654981381584
Energy: 1.1462962243983552
Energy: 0.6849654981387655
Energy: 1.7555761798542175
Energy: 0.6842744428891032
Energy: 0.8445031368965084
Energy: 0.6842744428897103
Energy: 1.9635570610167514
Energy: 0.6840590871166818
Energy: 0.8413898802402047
Energy: 0.6840590871172889
Energy: 2.0153342723244227
Energy: 0.6845082296517164
Energy: 0.8443386627410552
Energy: 0.6845082296517164
Energy: 1.7534394524062178
Energy: 0.6838923744056858
Energy: 0.6867879702981946
Energy: 0.6838923744069
Energy: 2.0911119314011697
Energy: 0.6844007732545438
Energy: 0.6851944235928693
Energy: 0.6844007732533296
Energy: 1.885955917604541
Energy: 0.6866970831740437
Energy: 0.6851150783126643
Energy: 0.6866970831740437

minimum gb energy = 0.6801327270404685 eV
minimum distance =  2.23568884561794 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020791159364264993
Energy: 0.6532641581961808
Energy: 1.6501959945274474
Energy: 0.6532641581957142
Energy: 8.574014775110099
Energy: 0.17554986847697107
Energy: 1.1637410802277552
Energy: 0.17554986847785262
Energy: 0.021598549970998193
Energy: 0.17294976405828474
Energy: 1.1602006753793574
Energy: 0.17294976405828474
Energy: 0.023407160328377145
Energy: 0.1718146262755432
Energy: 1.1564279386593344
Energy: 0.17181462627512828
Energy: 8.597822945952537
Energy: 0.17327655201528805
Energy: 1.1604777490335736
Energy: 0.17327655201482134
Energy: 0.021490093077352775
Energy: 0.17258987372499324
Energy: 1.1598235134416213
Energy: 0.17258987372499324

minimum gb energy = 0.020791159364264993 eV
minimum distance =  2.45975780960636 Angstroms
sigma value = 1