Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
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=3.520000368356705
cohesive_energy=4.450349990424746
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.018160009168499025
Energy: 0.018447235395621105
Energy: 0.018828231177676284
Energy: 0.018447235396282635
Energy: 0.018447235396282635
Energy: 0.8937671769489925
Energy: 0.018447235396282635
Energy: 0.8937671769489925
Energy: 0.018828231177676284
Energy: 0.018447235396282635
Energy: 0.018160009168499025
Energy: 0.018447235396282635
Energy: 0.018447235396282635
Energy: 0.8937671769483677
Energy: 0.018447235395621105
Energy: 0.8937671769489925

minimum gb energy = 0.018160009168499025 eV
minimum distance =  2.44994791172486 Angstroms
sigma value = 1


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

Energy: 1.2012213576512902
Energy: 1.222716550756376
Energy: 1.1391915100524024
Energy: 1.222716550757178
Energy: 1.165754789838459
Energy: 1.2195185649923543
Energy: 1.1367038230955775
Energy: 1.2195185649931566
Energy: 1.1047162336674268
Energy: 1.2066879514802937
Energy: 1.134653084172943
Energy: 1.2066879514794915
Energy: 1.1274859107646962
Energy: 1.2282673175510337
Energy: 1.120331729218091
Energy: 1.2282673175510337
Energy: 1.1308425589481574
Energy: 1.224319649386522
Energy: 1.147217723502532
Energy: 1.224319649386522
Energy: 1.101525539977805
Energy: 1.2081284112853843
Energy: 1.0865439697837123
Energy: 1.2081284112861865
Energy: 1.1362374998815297
Energy: 1.2063366913974216
Energy: 1.1032209129075516
Energy: 1.2063366913990259
Energy: 1.0532409786421888
Energy: 1.2240522651391965
Energy: 1.0778806111646033
Energy: 1.2240522651383938
Energy: 1.1223347583657388
Energy: 1.1381906726303623
Energy: 1.1349909370383493
Energy: 1.13819067262956
Energy: 1.0796054785467677
Energy: 1.2061653146115354
Energy: 1.0492541471678238
Energy: 1.2061653146107332
Energy: 1.1330088224960315
Energy: 1.2113992925011723
Energy: 1.1226303544134546
Energy: 1.2113992925011723
Energy: 1.1578665508298147
Energy: 1.2237737067925991
Energy: 1.0925441709023278
Energy: 1.2237737067934016
Energy: 1.1340482610527232
Energy: 1.2061930914391317
Energy: 1.169422106109269
Energy: 1.2061930914407364
Energy: 1.1405068566467595
Energy: 1.2100147068567217
Energy: 1.107307737122168
Energy: 1.2100147068567217
Energy: 1.1305615338340451
Energy: 1.2226724939328446
Energy: 1.1338142711883694
Energy: 1.2226724939320421
Energy: 1.15350742558607
Energy: 1.2228220879733325
Energy: 1.1338746615618733
Energy: 1.222822087974937
Energy: 1.1343716775549577
Energy: 1.2066332363163492
Energy: 1.0872797882159642
Energy: 1.2066332363163492
Energy: 1.1364079091103292
Energy: 1.1887447133760358
Energy: 1.1667440556678352
Energy: 1.1887447133760358
Energy: 1.0949799838297778
Energy: 1.2231300643919565
Energy: 1.0908147282167968
Energy: 1.2231300643927587
Energy: 1.136413644981424
Energy: 1.1377932333938758
Energy: 1.1265984907143245
Energy: 1.1377932333938758
Energy: 1.083843826378776
Energy: 1.20623387039551
Energy: 1.0641447406188733
Energy: 1.20623387039551
Energy: 1.1208139720343813
Energy: 1.2189174905715114
Energy: 1.1547192970984412
Energy: 1.2189174905723137
Energy: 1.146790469736603
Energy: 1.225416677252513
Energy: 1.091291192877522
Energy: 1.2254166772509085
Energy: 1.1352280432024684
Energy: 1.2065160326223647
Energy: 1.1014204346815077
Energy: 1.2065160326223647
Energy: 1.1032918745850444
Energy: 1.2076762587751513
Energy: 1.1699585113958535
Energy: 1.2076762587751513
Energy: 1.1347081288824075
Energy: 1.2242472337453485
Energy: 1.0903806394915532
Energy: 1.2242472337453485
Energy: 1.1328874615092135
Energy: 1.2162398711364892
Energy: 1.1220404168404052
Energy: 1.2162398711372917
Energy: 1.0940612993092638
Energy: 1.2059802347173971
Energy: 1.1796539098972492
Energy: 1.2059802347165947
Energy: 1.1337459212025385
Energy: 1.2074587791061284
Energy: 1.1529438398869867
Energy: 1.2074587791069304
Energy: 1.1993571086178492
Energy: 1.2232157086483761
Energy: 1.1567023652485526
Energy: 1.2232157086483761
Energy: 1.1444423870931426
Energy: 1.2113160638913614
Energy: 1.134019361934643
Energy: 1.2113160638921636
Energy: 1.1368688195663956
Energy: 1.2077196011932323
Energy: 1.1405605948669555
Energy: 1.2077196011932323
Energy: 1.1307798033168244
Energy: 1.2316120033755789
Energy: 1.120370945645681
Energy: 1.2316120033779858

minimum gb energy = 1.0492541471678238 eV
minimum distance =  2.21263022851246 Angstroms
sigma value = 1


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

Energy: 1.268703946122931
Energy: 1.280668582800796
Energy: 1.19298940469145
Energy: 1.2806685827998814
Energy: 1.2002481990950682
Energy: 1.2605810426272241
Energy: 1.1720769379862412
Energy: 1.2605810426253947
Energy: 1.1351570896405971
Energy: 1.282295683767444
Energy: 1.1706561037210172
Energy: 1.2822956837711026
Energy: 1.1322736493084162
Energy: 1.1589794754202365
Energy: 1.142232819019631
Energy: 1.1589794754385314
Energy: 1.1322254866678023
Energy: 1.2631180102244914
Energy: 1.2162915117658277
Energy: 1.2631180102199178
Energy: 1.2328577682434132
Energy: 1.2611104854784998
Energy: 1.1578575721559898
Energy: 1.2611104854803292
Energy: 1.2019587304004484
Energy: 1.1601712728095257
Energy: 1.1593937209069038
Energy: 1.1601712728104405
Energy: 1.0858287741874406
Energy: 1.2841249138247206
Energy: 1.1095501260372111
Energy: 1.2841249138210613
Energy: 1.150456031455835
Energy: 1.1891437592458545
Energy: 1.1725317580391459
Energy: 1.1891437592476841
Energy: 1.1302909422088423
Energy: 1.281924230035253
Energy: 1.1927304094350148
Energy: 1.2819242300361677
Energy: 1.19872446888605
Energy: 1.2248093647924052
Energy: 1.1720044192925387
Energy: 1.2248093647905758
Energy: 1.1171281456959445
Energy: 1.277110269549799
Energy: 1.1788610219204003
Energy: 1.2771102695507135
Energy: 1.1837494102660375
Energy: 1.26552947708681
Energy: 1.1582967535726831
Energy: 1.2655294770858954
Energy: 1.1840143711151865
Energy: 1.2655350725473797
Energy: 1.2095362514092167
Energy: 1.265535072546465
Energy: 1.1174445584747101
Energy: 1.2771282145030225
Energy: 1.170086625158144
Energy: 1.2771282145057667
Energy: 1.198834766542048
Energy: 1.22425900625903
Energy: 1.1594010796485117
Energy: 1.2242590062554126
Energy: 1.1302975290178359
Energy: 1.2818894760308328
Energy: 1.1414305821653814
Energy: 1.281889476032662
Energy: 1.1504778760080345
Energy: 1.1891431937416386
Energy: 1.1724439368732782
Energy: 1.1891431937462122
Energy: 1.0857729996144085
Energy: 1.2838541265564676
Energy: 1.124926066943054
Energy: 1.2838541265573824
Energy: 1.2019177815719997
Energy: 1.1613844756918306
Energy: 1.145286778851136
Energy: 1.1613844756954896
Energy: 1.2327820748026859
Energy: 1.2611417271308223
Energy: 1.1654242083124222
Energy: 1.261141727131737
Energy: 1.1320245877784891
Energy: 1.2631177457835516
Energy: 1.1515372436527156
Energy: 1.2631177457844662
Energy: 1.132524158207962
Energy: 1.1592663086735207
Energy: 1.159024518683937
Energy: 1.1592663086716914
Energy: 1.1352219165648345
Energy: 1.2821735004997927
Energy: 1.170060813697337
Energy: 1.2821735004997927
Energy: 1.2003337599950745
Energy: 1.2605865672689625
Energy: 1.1720899697744251
Energy: 1.2605865672698773
Energy: 1.268703946122931
Energy: 1.280668582801711
Energy: 1.2944307730273468
Energy: 1.2806685827998814
Energy: 1.2002481990950682
Energy: 1.2605810426272241
Energy: 1.1720769379862412
Energy: 1.2605810426263093
Energy: 1.1351570896405971
Energy: 1.282295683767444
Energy: 1.1723329890555199
Energy: 1.2822956837692734
Energy: 1.1322736493084162
Energy: 1.1589794754394462
Energy: 1.1361294654904346
Energy: 1.1589794754458496

minimum gb energy = 1.0857729996144085 eV
minimum distance =  2.20089837798523 Angstroms
sigma value = 25


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

Energy: 1.224520041210531
Energy: 1.3436696340366592
Energy: 1.2519093632873937
Energy: 1.3436696340366592
Energy: 1.2080188220756314
Energy: 1.3016301373595753
Energy: 1.1949713549232501
Energy: 1.3016301373595753
Energy: 1.1755940183785443
Energy: 1.3842325678023948
Energy: 1.2015450173365256
Energy: 1.3842325678013312
Energy: 1.2054389123882838
Energy: 1.309267567083201
Energy: 1.176024634191621
Energy: 1.309267567083201
Energy: 1.1776808499140874
Energy: 1.3462471840238168
Energy: 1.1782157503611614
Energy: 1.3462471840238168
Energy: 1.2993824606555338
Energy: 1.3841390874328452
Energy: 1.2044888579139004
Energy: 1.3841390874328452
Energy: 1.2107510485647741
Energy: 1.2028887506490156
Energy: 1.209513919619776
Energy: 1.2028887506490156
Energy: 1.3715981525952765
Energy: 1.3455526561622735
Energy: 1.1380520638860863
Energy: 1.3455526561622735
Energy: 1.2069482609641453
Energy: 1.2910353835029138
Energy: 1.2107085234326527
Energy: 1.2910353835039774
Energy: 1.1953435975035538
Energy: 1.3840005105139614
Energy: 1.1655807914388834
Energy: 1.3840005105139614
Energy: 1.2017398358674138
Energy: 1.3448491872467265
Energy: 1.2065732480988443
Energy: 1.34484918724779
Energy: 1.177044912519873
Energy: 1.3439437508446452
Energy: 1.2071868526248786
Energy: 1.3439437508435823
Energy: 1.201518762854902
Energy: 1.2998031614978185
Energy: 1.1676283309367086
Energy: 1.2998031614978185
Energy: 1.2063358082481708
Energy: 1.2872555549785685
Energy: 1.207347476501791
Energy: 1.2872555549785685
Energy: 1.1898081256051174
Energy: 1.3437742887169608
Energy: 1.1355389940912772
Energy: 1.3437742887180244
Energy: 1.2103967960848516
Energy: 1.2058094465007458
Energy: 1.1783206497135537
Energy: 1.2058094464996825
Energy: 1.1233843752433776
Energy: 1.3836452628783433
Energy: 1.1232197697179567
Energy: 1.3836452628772797
Energy: 1.1762859742894458
Energy: 1.2982467269063753
Energy: 1.2082939454144188
Energy: 1.2982467269074385
Energy: 1.1783897893033117
Energy: 1.308997879829299
Energy: 1.177961088413647
Energy: 1.3089978798282356
Energy: 1.2042080629701046
Energy: 1.3831179561328062
Energy: 1.206027836062543
Energy: 1.3831179561328062
Energy: 1.214829146228434
Energy: 1.2811815591499671
Energy: 1.2093797906495887
Energy: 1.2811815591499671
Energy: 1.2273730903335318
Energy: 1.3449040165016934
Energy: 1.2872086704227568
Energy: 1.3449040165016934
Energy: 1.2109475361139006
Energy: 1.2968207365999054
Energy: 1.2045010491763215
Energy: 1.2968207366009687
Energy: 1.1731969004701719
Energy: 1.385597743538495
Energy: 1.1953726475130408
Energy: 1.3855977435374314
Energy: 1.2034227403973972
Energy: 1.3048114689519366
Energy: 1.17640648829987
Energy: 1.3048114689498098

minimum gb energy = 1.1232197697179567 eV
minimum distance =  2.19912180197677 Angstroms
sigma value = 9


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

Energy: 1.2769672417983542
Energy: 1.2766232881110284
Energy: 1.3124349670433424
Energy: 1.2766232881110284
Energy: 1.2382816405005084
Energy: 1.3603511515545503
Energy: 1.2604266514827243
Energy: 1.3603511515507447
Energy: 1.1704541665697463
Energy: 1.2702328920607
Energy: 1.2175894633753863
Energy: 1.2702328920607
Energy: 1.2614655310720464
Energy: 1.388333497572651
Energy: 1.1911345794500512
Energy: 1.3883334975701136
Energy: 1.3769310740638978
Energy: 1.3595676925857778
Energy: 1.2541111371761482
Energy: 1.3595676925845093
Energy: 1.154536406303169
Energy: 1.2697785541264535
Energy: 1.1915760439110665
Energy: 1.269778554127722
Energy: 1.2576227091394612
Energy: 1.191539296686053
Energy: 1.1916840986358566
Energy: 1.191539296686053
Energy: 1.3117926715126946
Energy: 1.2716401524124015
Energy: 1.1777195198814623
Energy: 1.2716401524098646
Energy: 1.258453686824243
Energy: 1.3598378256325578
Energy: 1.336778112285579
Energy: 1.3598378256325578
Energy: 1.2734775341481726
Energy: 1.2768909924791119
Energy: 1.1908637991714148
Energy: 1.2768909924778435
Energy: 1.2054201115232137
Energy: 1.3551224007686833
Energy: 1.2177096554555547
Energy: 1.3551224007674152
Energy: 1.2582615479803627
Energy: 1.347715311686245
Energy: 1.1910000026517977
Energy: 1.3477153116849763
Energy: 1.1542854649223764
Energy: 1.2766529144417307
Energy: 1.2343112273871515
Energy: 1.2766529144404626
Energy: 1.2568874081139318
Energy: 1.2746389087883405
Energy: 1.2614523914579818
Energy: 1.2746389087883405
Energy: 1.1542881091573591
Energy: 1.2766675654602537
Energy: 1.3135293846913734
Energy: 1.2766675654602537
Energy: 1.2582830545157901
Energy: 1.3477985358346356
Energy: 1.1911302569823152
Energy: 1.3477985358346356
Energy: 1.2054510193589487
Energy: 1.3550930539785977
Energy: 1.2692196438219963
Energy: 1.3550930539785977
Energy: 1.2737480586783527
Energy: 1.2767762747077411
Energy: 1.1908395123033761
Energy: 1.2767762747102782
Energy: 1.2584126361332955
Energy: 1.3598517928015237
Energy: 1.2673764128359697
Energy: 1.3598517928015237
Energy: 1.3117620678758284
Energy: 1.2719079758289895
Energy: 1.177687173535494
Energy: 1.271907975827721
Energy: 1.2576330135975318
Energy: 1.1915737563828859
Energy: 1.1916925204922042
Energy: 1.191573756385423

minimum gb energy = 1.1542854649223764 eV
minimum distance =  2.30858467645526 Angstroms
sigma value = 25


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

Energy: 1.2124628351075706
Energy: 1.462417628055085
Energy: 1.3735840428006052
Energy: 1.462417628055085
Energy: 1.1915688392768153
Energy: 1.3663018461185836
Energy: 1.1788293855120406
Energy: 1.3663018461201524
Energy: 1.1791571414114537
Energy: 1.22988177174012
Energy: 1.1789569915418647
Energy: 1.2298817717385513
Energy: 1.2121111739808448
Energy: 1.255500648610077
Energy: 1.36882640151585
Energy: 1.255500648610077
Energy: 1.3744942124233528
Energy: 1.1927420538934905
Energy: 1.2296042842240615
Energy: 1.1927420538934905
Energy: 1.1787172423866017
Energy: 1.4742744249635449
Energy: 1.180687621515872
Energy: 1.4742744249620117
Energy: 1.229645369988423
Energy: 1.1972589046031368
Energy: 1.1790710604124037
Energy: 1.1972589046031368
Energy: 1.36861105016159
Energy: 1.181717680595814
Energy: 1.2120008735982444
Energy: 1.1817176806099332
Energy: 1.178727835930555
Energy: 1.2926220928752026
Energy: 1.194883208026622
Energy: 1.2926220928752026
Energy: 1.4232954686632673
Energy: 1.2291572252741403
Energy: 1.1799329509311396
Energy: 1.2291572252647278
Energy: 1.1791206412220974
Energy: 1.456032595452324
Energy: 1.5522591835720323
Energy: 1.456032595452324
Energy: 1.1795559763210415
Energy: 1.2299182899860492
Energy: 1.4222295506806788
Energy: 1.2299182899844805
Energy: 1.3752724443857802
Energy: 1.2791049740461649
Energy: 1.17866548898282
Energy: 1.279104974044596
Energy: 1.1787088203312048
Energy: 1.1971776017344273
Energy: 1.2122531010651731
Energy: 1.1971776017344273
Energy: 1.2308854652867363
Energy: 1.4582020626446155
Energy: 1.3708504350542134
Energy: 1.4582020626446155
Energy: 1.19133245426612
Energy: 1.2808923053582797
Energy: 1.1787227701823808
Energy: 1.2808923053614176
Energy: 1.1794177170719904
Energy: 1.3015376726208048
Energy: 1.420732585887556
Energy: 1.3015376726208048

minimum gb energy = 1.17866548898282 eV
minimum distance =  2.29672657024555 Angstroms
sigma value = 17


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

Energy: 1.3394898433647537
Energy: 1.3387510429942087
Energy: 1.577533398736346
Energy: 1.3387510429933205
Energy: 1.394280497392585
Energy: 1.3098904961160192
Energy: 1.2162993555187542
Energy: 1.3098904961151305
Energy: 1.381628809760106
Energy: 1.3328158164969692
Energy: 1.2161253231028353
Energy: 1.3328158164969692
Energy: 1.2182408682702963
Energy: 1.3393126065708247
Energy: 1.3276453175164664
Energy: 1.3393126065708247
Energy: 1.4228508245930231
Energy: 1.3233226866626466
Energy: 1.2751068814425
Energy: 1.3233226866617578
Energy: 1.2301207719739085
Energy: 1.2688070912616667
Energy: 1.3797007658960798
Energy: 1.268807091260778
Energy: 1.222119922115906
Energy: 1.3644896696899307
Energy: 1.2173241975925186
Energy: 1.3644896696899307
Energy: 1.3805389721536756
Energy: 1.3389961299609783
Energy: 1.2275762798802967
Energy: 1.3389961299609783
Energy: 1.2338634704224893
Energy: 1.409229915350679
Energy: 1.4378239052792186
Energy: 1.4092299153497907
Energy: 1.5322492495709255
Energy: 1.3110369406399174
Energy: 1.2165627666253775
Energy: 1.3110369406408056
Energy: 1.2215572355877888
Energy: 1.3389552500978077
Energy: 1.3845081252107136
Energy: 1.3389552500978077
Energy: 1.2285981773935635
Energy: 1.36109648260629
Energy: 1.2288295964486178
Energy: 1.36109648260629
Energy: 1.39380207909996
Energy: 1.3387033009960043
Energy: 1.3344408546947033
Energy: 1.338703300996893
Energy: 1.216208906867174
Energy: 1.3892596334621354
Energy: 1.395515726977112
Energy: 1.389259633463024
Energy: 1.344730500913441
Energy: 1.3645960108224164
Energy: 1.2310000546454485
Energy: 1.3645960108215283
Energy: 1.3825813810596632
Energy: 1.3387798611435806
Energy: 1.38113993355535
Energy: 1.3387798611435806
Energy: 1.2175492255707374
Energy: 1.4049097813319034
Energy: 1.4081455727479137
Energy: 1.4049097813319034
Energy: 1.365063673870512
Energy: 1.33268470111009
Energy: 1.2298878373143696
Energy: 1.33268470111009
Energy: 1.2539288913734512
Energy: 1.4042409971923961
Energy: 1.2962531453752149
Energy: 1.4042409971941732
Energy: 1.2173824932444586
Energy: 1.368692638449637
Energy: 1.2187319242799113
Energy: 1.3686926384504852
Energy: 1.298999402458738
Energy: 1.3338217648601693
Energy: 1.381902953032298
Energy: 1.3338217648601693
Energy: 1.2170526133974013
Energy: 1.458643096810629
Energy: 1.5331934607649573
Energy: 1.458643096810629
Energy: 1.4309013455659367
Energy: 1.3399190070839442
Energy: 1.2162165432168344
Energy: 1.3399190070857212
Energy: 1.2285121141935726
Energy: 1.364198737555358
Energy: 1.3888778651382983
Energy: 1.364198737555358
Energy: 1.227637711811353
Energy: 1.3333030870100033
Energy: 1.3872527526810672
Energy: 1.3333030870100033
Energy: 1.429121796441901
Energy: 1.3391703821690235
Energy: 1.218021737467162
Energy: 1.3391703821681347
Energy: 1.2172463751429412
Energy: 1.408715273634441
Energy: 1.568906024582748
Energy: 1.408715273634441
Energy: 1.3798058649590978
Energy: 1.2712852909810632
Energy: 1.3828140005468827
Energy: 1.2712852909828403
Energy: 1.4608981358584487
Energy: 1.4781627346508779
Energy: 1.2229515192719014
Energy: 1.4781627346508779
Energy: 1.2276564832254708
Energy: 1.407005629737861
Energy: 1.365236267338499
Energy: 1.4070056297369724

minimum gb energy = 1.2161253231028353 eV
minimum distance =  2.17375955243823 Angstroms
sigma value = 53


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

Energy: 1.148497659284589
Energy: 1.1485474042119046
Energy: 1.4024128965878844
Energy: 1.1485474042119046
Energy: 1.3968423838076587
Energy: 1.277168589937807
Energy: 1.175500783315915
Energy: 1.277168589937807
Energy: 1.149489618958461
Energy: 1.1481282833325976
Energy: 1.4026852141580057
Energy: 1.1481282833305522
Energy: 1.1497303437935642
Energy: 1.147977936258809
Energy: 1.1864526443990566
Energy: 1.147977936258809
Energy: 1.3968085988561019
Energy: 1.2772519989659006
Energy: 1.150585016445116
Energy: 1.2772519989659006
Energy: 1.148497659284589
Energy: 1.1485474042119046
Energy: 1.4024128999082064
Energy: 1.1485474042119046
Energy: 1.3968423838096575
Energy: 1.2771685899357614
Energy: 1.17550078331796
Energy: 1.277168589937807
Energy: 1.149489618958461
Energy: 1.1481282833325976
Energy: 1.4026852141580057
Energy: 1.1481282833325976
Energy: 1.1497303437956097
Energy: 1.147977936258809
Energy: 1.186452644401102
Energy: 1.147977936258809
Energy: 1.3968085988540562
Energy: 1.2772519989679463
Energy: 1.150585016445116
Energy: 1.2772519989638553
Energy: 1.148497659284589
Energy: 1.1485474042119046
Energy: 1.5314377013857392
Energy: 1.1485474042119046
Energy: 1.3968423838076587
Energy: 1.277168589937807
Energy: 1.17550078331796
Energy: 1.277168589937807
Energy: 1.149489618958461
Energy: 1.1481282833325976
Energy: 1.4026852141580057
Energy: 1.1481282833305522

minimum gb energy = 1.147977936258809 eV
minimum distance =  2.27270940515026 Angstroms
sigma value = 9


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

Energy: 1.2735628744992467
Energy: 1.5511627175033864
Energy: 1.7074808135383577
Energy: 1.5511627175041434
Energy: 1.4495569511859125
Energy: 1.344681869942482
Energy: 1.2831575410153102
Energy: 1.3446818699417253
Energy: 1.2700502843391364
Energy: 1.2612477265614306
Energy: 1.286263256366248
Energy: 1.2612477265614306
Energy: 1.4180059108703469
Energy: 1.5453435322677034
Energy: 1.2739955168320114
Energy: 1.5453435322684606
Energy: 1.4356565750805028
Energy: 1.3415581840769204
Energy: 1.2847862182597696
Energy: 1.3415581840776776
Energy: 1.2609904988483476
Energy: 1.260391736404287
Energy: 1.4330566094937283
Energy: 1.26039173640353
Energy: 1.6426475241836458
Energy: 1.3374336673750729
Energy: 1.2834210639945818
Energy: 1.3374336673743157
Energy: 1.2756162003223799
Energy: 1.3628667298911448
Energy: 1.4284013188051736
Energy: 1.3628667298919017
Energy: 1.2729927188343024
Energy: 1.4415813196530736
Energy: 1.2600280043663659
Energy: 1.4415813196523164
Energy: 1.271919388008193
Energy: 1.3430923019831922
Energy: 1.285591514348192
Energy: 1.3430923019831922
Energy: 1.2776798533141625
Energy: 1.3639601559814858
Energy: 1.6440997778007536
Energy: 1.3639601559807286
Energy: 1.4484051304034855
Energy: 1.4637526667843204
Energy: 1.277088227446892
Energy: 1.4637526667865917
Energy: 1.2740379049796349
Energy: 1.2736277681744317
Energy: 1.5390456975730844
Energy: 1.2736277681736747
Energy: 1.4240101998427201
Energy: 1.5128940329145641
Energy: 1.2828555197547313
Energy: 1.5128940329122929
Energy: 1.278591377563189
Energy: 1.4342608928546365
Energy: 1.4241119987636763
Energy: 1.4342608928546365
Energy: 1.2768874998020916
Energy: 1.5211981908377108
Energy: 1.4239575247876535
Energy: 1.521198190839225
Energy: 1.3473039942917868
Energy: 1.4342262197944606
Energy: 1.2786075121988474
Energy: 1.4342262197929463
Energy: 1.2818968166361184
Energy: 1.3373116748029736
Energy: 1.4788592888532843
Energy: 1.3373116748037306
Energy: 1.4389805599913748
Energy: 1.2727758592766256
Energy: 1.2645137493607825
Energy: 1.2727758592766256
Energy: 1.2738262634512558
Energy: 1.3566665652566712
Energy: 1.358795248603002
Energy: 1.3566665652566712
Energy: 1.4224744940061456
Energy: 1.5121961110600841
Energy: 1.4224773964513835
Energy: 1.5121961110593274
Energy: 1.3858353747202437
Energy: 1.2753057462551511
Energy: 1.2718230541612054
Energy: 1.2753057462543944
Energy: 1.2601873958802536
Energy: 1.3503449403530894
Energy: 1.2730373118915932
Energy: 1.3503449403523324
Energy: 1.6646068138643881
Energy: 1.275904047818148
Energy: 1.2751633577169268
Energy: 1.2759040478196622
Energy: 1.283461041158641
Energy: 1.4842549422503728
Energy: 1.5510859813297038
Energy: 1.484254942249616
Energy: 1.3473254641876435
Energy: 1.2608556041264174
Energy: 1.2704568710388522
Energy: 1.2608556041271748
Energy: 1.3644802566259775
Energy: 1.4444772199220393
Energy: 1.4175439276456547
Energy: 1.4444772199212823
Energy: 1.2729479969072885
Energy: 1.5469359178970965
Energy: 1.4178412222613208
Energy: 1.5469359178986106
Energy: 1.356187941506972
Energy: 1.2605913383702554
Energy: 1.2693548688724743
Energy: 1.2605913383725267
Energy: 1.283214496975597
Energy: 1.4844900577933824
Energy: 1.5504489205088554
Energy: 1.4844900577948963
Energy: 1.5954186316466974
Energy: 1.3612644731751955
Energy: 1.2743039727260301
Energy: 1.3612644731736814
Energy: 1.2604172990813738
Energy: 1.3429876422222529
Energy: 1.2710586711954
Energy: 1.3429876422222529
Energy: 1.2828668269321362
Energy: 1.2728559594675262
Energy: 1.2705774162479697
Energy: 1.2728559594690403
Energy: 1.4294109912833068
Energy: 1.3654989632742178
Energy: 1.4190713757554467
Energy: 1.365498963275732
Energy: 1.2817970685998956
Energy: 1.4857891531453427
Energy: 1.6432745731493774
Energy: 1.4857891531453427

minimum gb energy = 1.2600280043663659 eV
minimum distance =  2.21155680618685 Angstroms
sigma value = 73


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

Energy: 1.2624988012121805
Energy: 1.2620496028586428
Energy: 1.6879933174787005
Energy: 1.2620496028586428
Energy: 1.2952398532985734
Energy: 1.3910704088614605
Energy: 1.2961223054519464
Energy: 1.3910704088614605
Energy: 1.2905750088449386
Energy: 1.279137624071077
Energy: 1.3003833203664825
Energy: 1.279137624071077
Energy: 1.2822620924944894
Energy: 1.3904899238040842
Energy: 1.2958597444596327
Energy: 1.3904899238040842
Energy: 1.2812130884083452
Energy: 1.3702832057140006
Energy: 1.3022344250658318
Energy: 1.3702832057140006
Energy: 1.2930266407540572
Energy: 1.3009611620993173
Energy: 1.6132014214500894
Energy: 1.3009611621005186
Energy: 1.6199111348339243
Energy: 1.5568142527452478
Energy: 1.2983116129593886
Energy: 1.5568142527464488
Energy: 1.2835304292565946
Energy: 1.261839707874593
Energy: 1.5922009500822731
Energy: 1.261839707874593
Energy: 1.5879761469884162
Energy: 1.2629411399280277
Energy: 1.262006835596363
Energy: 1.2629411399280277
Energy: 1.2919655302732096
Energy: 1.3794625040180273
Energy: 1.2922950788413567
Energy: 1.3794625040180273
Energy: 1.2810050346499118
Energy: 1.2626818345366675
Energy: 1.5850337178510907
Energy: 1.2626818345366675
Energy: 1.4244021164784042
Energy: 1.4044008347491064
Energy: 1.2833256144048375
Energy: 1.4044008347491064
Energy: 1.290020759886195
Energy: 1.3716484136547575
Energy: 1.4218776132385471
Energy: 1.371648413653556
Energy: 1.642931004855945
Energy: 1.3742896386351935
Energy: 1.292852446479087
Energy: 1.3742896386351935
Energy: 1.287070669824955
Energy: 1.3293732140853278
Energy: 1.4238293089191072
Energy: 1.3293732140853278
Energy: 1.583847034099895
Energy: 1.262118241544532
Energy: 1.2834660967291973
Energy: 1.262118241544532
Energy: 1.2965524665573438
Energy: 1.2955041766625304
Energy: 1.290857954900888
Energy: 1.2955041766625304
Energy: 1.2618545717717948
Energy: 1.2630875986259884
Energy: 1.2911461784959282
Energy: 1.2630875986271897
Energy: 1.2941270692195677
Energy: 1.2620551746470252
Energy: 1.2807872315668771
Energy: 1.2620551746482263
Energy: 1.2965362754829137
Energy: 1.3267089763868654
Energy: 1.6176901614399728
Energy: 1.3267089763868654
Energy: 1.6865753078574324
Energy: 1.278388655009839
Energy: 1.2911718311013007
Energy: 1.2783886550086376
Energy: 1.2972352077282698
Energy: 1.3681438139206832
Energy: 1.4229195642493897
Energy: 1.3681438139218847

minimum gb energy = 1.261839707874593 eV
minimum distance =  2.22329364668671 Angstroms
sigma value = 7


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

Energy: 1.3019144921463923
Energy: 1.3013452655018936
Energy: 1.71472162014415
Energy: 1.3013452654993454
Energy: 1.6055613983926649
Energy: 1.3956755397918763
Energy: 1.3036498996712367
Energy: 1.3956755397876297
Energy: 1.2814219462028522
Energy: 1.3017748443785517
Energy: 1.324749872307334
Energy: 1.3017748443853463
Energy: 1.34541779656069
Energy: 1.3967333067865606
Energy: 1.3119618802827258
Energy: 1.3967333067891083
Energy: 1.2827027441942187
Energy: 1.378449362935711
Energy: 1.338189886487375
Energy: 1.378449362932314
Energy: 1.2866743844326605
Energy: 1.3033058295800433
Energy: 1.5715425050877125
Energy: 1.3033058295817417
Energy: 1.4351857689861147
Energy: 1.451763763609325
Energy: 1.3188835554818614
Energy: 1.451763763614421
Energy: 1.2865031591177052
Energy: 1.302576361908373
Energy: 1.6242977515041772
Energy: 1.3025763619058248
Energy: 1.4628206638452828
Energy: 1.3849481813011817
Energy: 1.2955164777369252
Energy: 1.3849481813003324
Energy: 1.2863217156461766
Energy: 1.4179129776221144
Energy: 1.4213450004378765
Energy: 1.4179129776212653
Energy: 1.352722450034404
Energy: 1.3044040566719057
Energy: 1.3422128266581508
Energy: 1.3044040566736044
Energy: 1.337794854554691
Energy: 1.37942732710814
Energy: 1.3414917623045195
Energy: 1.3794273271106878
Energy: 1.3021155744592778
Energy: 1.304075329092063
Energy: 1.3435385892909466
Energy: 1.304075329092063
Energy: 1.3254064210673118
Energy: 1.2978573457897573
Energy: 1.3406617958606057
Energy: 1.2978573457914562
Energy: 1.301971604922592
Energy: 1.5104662928787604
Energy: 1.616756750005904
Energy: 1.5104662928804593
Energy: 1.7136311957300283
Energy: 1.2970122761109677
Energy: 1.2904722334146195
Energy: 1.297012276106721
Energy: 1.3039727438080169
Energy: 1.3876746644787807
Energy: 1.481089082673362
Energy: 1.3876746644813285
Energy: 1.3221884797746248
Energy: 1.5013940243784727
Energy: 1.3411575319617113
Energy: 1.5013940243767738
Energy: 1.303951261424243
Energy: 1.3033574338714413
Energy: 1.3424082033244327
Energy: 1.3033574338688934
Energy: 1.2913230957148456
Energy: 1.375939073481299
Energy: 1.341651854695897
Energy: 1.3759390734829977
Energy: 1.3527981695696278
Energy: 1.3353550412062474
Energy: 1.2956100699231676
Energy: 1.3353550412036996
Energy: 1.286578198305602
Energy: 1.301592576544742
Energy: 1.4235738029979006
Energy: 1.3015925765464407
Energy: 1.576524864241783
Energy: 1.3847899013160982
Energy: 1.3176540911316776
Energy: 1.3847899013220437
Energy: 1.3073900680119441
Energy: 1.302486563643841
Energy: 1.567158471775867
Energy: 1.302486563648937
Energy: 1.3344623453561058
Energy: 1.3763387773868851
Energy: 1.3181760479292837
Energy: 1.3763387773902827
Energy: 1.3460755272359204
Energy: 1.303090856221899
Energy: 1.3289812854663214
Energy: 1.3030908562261456
Energy: 1.2822405827864582
Energy: 1.3982000333281424
Energy: 1.3083947762302832
Energy: 1.3982000333315399
Energy: 1.3459830970002342
Energy: 1.3873090141029718
Energy: 1.3118959217048576
Energy: 1.3873090141021225
Energy: 1.2808787441908065
Energy: 1.3025395290424722
Energy: 1.4327320407154853
Energy: 1.3025395290450204
Energy: 1.6319809780319525
Energy: 1.3182380527394242
Energy: 1.308021242372876
Energy: 1.3182380527411226
Energy: 1.2808776270589093
Energy: 1.3021794980965355
Energy: 1.5791777303636492
Energy: 1.3021794980939874

minimum gb energy = 1.2808776270589093 eV
minimum distance =  2.20674730461791 Angstroms
sigma value = 29


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

Energy: 1.26153876884356
Energy: 1.2601086616301589
Energy: 1.2170194663802738
Energy: 1.260108661629304
Energy: 1.2165594042351318
Energy: 1.264150215083183
Energy: 1.2623806963302897
Energy: 1.264150215082887
Energy: 1.2165877570692558
Energy: 1.3231515139713135
Energy: 1.2166284404369565
Energy: 1.3231515139716092
Energy: 1.2616195887661437
Energy: 1.2164274708330258
Energy: 1.21330540087153
Energy: 1.2164274708330258
Energy: 1.2621695877983288
Energy: 1.3039987641769524
Energy: 1.2168400061524711
Energy: 1.3039987641769524
Energy: 1.2605403922547063
Energy: 1.3232224296110995
Energy: 1.2605181992649674
Energy: 1.3232224296105077
Energy: 1.2161195233140134
Energy: 1.3040020465205284
Energy: 1.2621747989062593
Energy: 1.3040020465207913
Energy: 1.2132702981875871
Energy: 1.216810554135928
Energy: 1.2615002011446488
Energy: 1.216810554135928
Energy: 1.2156503325609889
Energy: 1.323082504019776
Energy: 1.310576770703595
Energy: 1.3230825040195129

minimum gb energy = 1.2132702981875871 eV
minimum distance =  2.27058032254032 Angstroms
sigma value = 5


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

Energy: 1.243797568510692
Energy: 1.2403896171435647
Energy: 1.4885884036376087
Energy: 1.2403896171459716
Energy: 1.4046955363980382
Energy: 1.314896142884902
Energy: 1.192340577924441
Energy: 1.3148961428840997
Energy: 1.2029361874310578
Energy: 1.2413599349016256
Energy: 1.437286370461724
Energy: 1.2413599349048345
Energy: 1.235797455904807
Energy: 1.3068064532560844
Energy: 1.2190987301825351
Energy: 1.306806453255282
Energy: 1.207461089212486
Energy: 1.3116813572712651
Energy: 1.445075368824659
Energy: 1.311681357276881
Energy: 1.2390690585125437
Energy: 1.246893791188382
Energy: 1.2092870254351424
Energy: 1.2468937911899864
Energy: 1.2066743524235315
Energy: 1.319059377166134
Energy: 1.2058364087036928
Energy: 1.3190593771645294
Energy: 1.2155470909899582
Energy: 1.248628522534719
Energy: 1.2046279363684171
Energy: 1.2486285225371259
Energy: 1.2161840378982478
Energy: 1.3094902683031857
Energy: 1.2242831612490448
Energy: 1.309490268303988
Energy: 1.2265611486828139
Energy: 1.3071479705515467
Energy: 1.2377922804602655
Energy: 1.3071479705515467
Energy: 1.2019516299420827
Energy: 1.2484728638409601
Energy: 1.2073375168447533
Energy: 1.2484728638345415
Energy: 1.2116060047802362
Energy: 1.264868793823061
Energy: 1.3844068191761882
Energy: 1.2648687938246654
Energy: 1.2529374434977614
Energy: 1.2464584115041137
Energy: 1.2346494253200913
Energy: 1.2464584114993003
Energy: 1.2078512276728484
Energy: 1.2466719542612579
Energy: 1.3055403730984194
Energy: 1.2466719542644669
Energy: 1.5248636733581458
Energy: 1.3109132413151312
Energy: 1.2044980289060359
Energy: 1.3109132413167357
Energy: 1.2198432486871198
Energy: 1.2314190663751714
Energy: 1.4361841712324654
Energy: 1.2314190663743692
Energy: 1.4459283272200119
Energy: 1.3187611644273876
Energy: 1.204896371428127
Energy: 1.3187611644257828
Energy: 1.2125153260446702
Energy: 1.2463512605267462
Energy: 1.341597936323881
Energy: 1.2463512605299554
Energy: 1.2242786027441257
Energy: 1.321127501581116
Energy: 1.2128826199471077
Energy: 1.3211275015843251
Energy: 1.2037683367949557
Energy: 1.3087519065265392
Energy: 1.233892394731053
Energy: 1.3087519065281439
Energy: 1.2006719403445476
Energy: 1.2475416311859089
Energy: 1.2229818313961067
Energy: 1.2475416311899203
Energy: 1.2215515884793309
Energy: 1.3074866756726748
Energy: 1.215595049615862
Energy: 1.3074866756654542
Energy: 1.1947855822535316
Energy: 1.2476418560440528
Energy: 1.1999907489891795
Energy: 1.2476418560424483
Energy: 1.3618225057515794
Energy: 1.247319570713083
Energy: 1.2012479604016675
Energy: 1.2473195707114786
Energy: 1.3664800045966092
Energy: 1.2294071080854219
Energy: 1.1930299307106969
Energy: 1.2294071080878288
Energy: 1.2316742705320838
Energy: 1.246398400903795
Energy: 1.2118190649256966
Energy: 1.2463984009070042
Energy: 1.194599763083132
Energy: 1.3014280548369612
Energy: 1.3320875496877205
Energy: 1.3014280548409727
Energy: 1.2606012408943212
Energy: 1.287148262663504
Energy: 1.2178420550894429
Energy: 1.2871482626594928
Energy: 1.202739168711905
Energy: 1.3162258435303358
Energy: 1.522455876492654
Energy: 1.3162258435295333
Energy: 1.4243245748270237
Energy: 1.2457278613517706
Energy: 1.2166893562715235
Energy: 1.2457278613541776
Energy: 1.1980786773991647
Energy: 1.2342710909033816
Energy: 1.327399057525121
Energy: 1.23427109089937
Energy: 1.443970385423366
Energy: 1.2908125000407964
Energy: 1.2017159492645337
Energy: 1.290812500035983
Energy: 1.2220537089965775
Energy: 1.2484256732908754
Energy: 1.1999454731076038
Energy: 1.2484256732940846

minimum gb energy = 1.192340577924441 eV
minimum distance =  2.20612849870016 Angstroms
sigma value = 1


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

Energy: 1.1898522455997553
Energy: 1.18988568570088
Energy: 1.1802217933363488
Energy: 1.1898856857030986
Energy: 1.1846079394805298
Energy: 1.2160771950842821
Energy: 1.137560761754009
Energy: 1.2160771950842821
Energy: 1.1397084706971754
Energy: 1.189922324883376
Energy: 1.6192358303539998
Energy: 1.1899223248822663
Energy: 1.1598530171230812
Energy: 1.2752790126205482
Energy: 1.13909477973108
Energy: 1.2752790126205482
Energy: 1.1406844462530703
Energy: 1.3120423417256393
Energy: 1.3949033917018534
Energy: 1.3120423417245297
Energy: 1.1379703158767949
Energy: 1.19322612572436
Energy: 1.1390792726634602
Energy: 1.1932261257232506
Energy: 1.140021396565144
Energy: 1.310402642279803
Energy: 1.159524007333322
Energy: 1.3104026422820219
Energy: 1.1400606083889464
Energy: 1.1929629571880382
Energy: 1.207710690058152
Energy: 1.1929629571891474
Energy: 1.189504975991829
Energy: 1.1825717716416952
Energy: 1.1728082131207058
Energy: 1.1825717716405857
Energy: 1.1895131631278668
Energy: 1.1825996734808981
Energy: 1.1736118920805547
Energy: 1.1825996734820077
Energy: 1.14008857104183
Energy: 1.1929500889542537
Energy: 1.2416543729351353
Energy: 1.1929500889531441
Energy: 1.1400946469803963
Energy: 1.3104264534139414
Energy: 1.1748213274119887
Energy: 1.310426453411723
Energy: 1.1378149524963266
Energy: 1.1933617689208098
Energy: 1.1392186392035044
Energy: 1.1933617689208098
Energy: 1.1401996011985212
Energy: 1.3119776907390108
Energy: 1.1901882452244152
Energy: 1.311977690735683
Energy: 1.1595234382230786
Energy: 1.2752967815371978
Energy: 1.1390324030132122
Energy: 1.2752967815371978
Energy: 1.1397093814678032
Energy: 1.1903677645373154
Energy: 1.2793273751882246
Energy: 1.1903677645384247
Energy: 1.182298726827557
Energy: 1.2158679667510732
Energy: 1.137582696206982
Energy: 1.2158679667488546
Energy: 1.1898522455997553
Energy: 1.1898856856997708
Energy: 1.4728400304536506
Energy: 1.1898856857030986
Energy: 1.184607940050458
Energy: 1.2160771950842821
Energy: 1.137560761754009
Energy: 1.2160771950842821
Energy: 1.1397084706971754
Energy: 1.189922324883376
Energy: 1.6192358303539998
Energy: 1.189922324883376
Energy: 1.1598530171241905
Energy: 1.2752790126205482
Energy: 1.13909477973108
Energy: 1.2752790126205482
Energy: 1.1406844462530703
Energy: 1.3120423417245297
Energy: 1.3949033917029627
Energy: 1.3120423417245297
Energy: 1.1379703158767949
Energy: 1.19322612572436
Energy: 1.1390792726645693
Energy: 1.1932261257232506
Energy: 1.140021396565144
Energy: 1.310402642279803
Energy: 1.1595240073255573
Energy: 1.3104026422820219

minimum gb energy = 1.137560761754009 eV
minimum distance =  2.22959333861126 Angstroms
sigma value = 17


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

Energy: 1.1827079649378742
Energy: 1.1827192019384216
Energy: 1.4801263113550183
Energy: 1.1827192019391073
Energy: 1.4122286530295387
Energy: 1.1679628697829356
Energy: 1.1464413459275375
Energy: 1.1679628697829356
Energy: 1.147272038425955
Energy: 1.171180680707875
Energy: 1.4285640559953372
Energy: 1.1711806807071896
Energy: 1.201180296967326
Energy: 1.1363338898122504
Energy: 1.1424161914141704
Energy: 1.1363338898136215
Energy: 1.1446184053510362
Energy: 1.2642426616818185
Energy: 1.1616675686853928
Energy: 1.2642426616818185
Energy: 1.1435993578386927
Energy: 1.1493000193429495
Energy: 1.1573062616201442
Energy: 1.1493000193360932
Energy: 1.1575963167108831
Energy: 1.2469400926841883
Energy: 1.1771700004875656
Energy: 1.2469400926848737
Energy: 1.137370737396788
Energy: 1.2375193844058434
Energy: 1.149912085041621
Energy: 1.2375193844051577
Energy: 1.1862283227979569
Energy: 1.229238338201694
Energy: 1.1658743251591595
Energy: 1.22923833820238
Energy: 1.1711995355250486
Energy: 1.2309461971028746
Energy: 1.1499875235106842
Energy: 1.230946197102189
Energy: 1.1468494458640308
Energy: 1.2125181386709933
Energy: 1.1600105164698724
Energy: 1.2125181386709933
Energy: 1.147837828066844
Energy: 1.237247624023651
Energy: 1.1429773392080123
Energy: 1.2372476240243366
Energy: 1.1409703539099707
Energy: 1.221468535088651
Energy: 1.154853868006829
Energy: 1.2214685350907077
Energy: 1.1589071078083286
Energy: 1.262214080113344
Energy: 1.1826809086781886
Energy: 1.2622140801140296
Energy: 1.1343925759645759
Energy: 1.1470751225151332
Energy: 1.194374321330602
Energy: 1.1470751225082767
Energy: 1.147476553202044
Energy: 1.1720643254233132
Energy: 1.1605351848980896
Energy: 1.1720643254226277
Energy: 1.166465075436395
Energy: 1.1472248747126768
Energy: 1.1551952050808365
Energy: 1.1472248747126768
Energy: 1.1383037287774553
Energy: 1.1833292158565127
Energy: 1.163941299462919
Energy: 1.1833292158578839
Energy: 1.3394098877457405
Energy: 1.2409794491879227
Energy: 1.1456605316073953
Energy: 1.24097944918518
Energy: 1.1514176497569755
Energy: 1.1718007229712268
Energy: 1.2262550128365126
Energy: 1.1718007229712268
Energy: 1.3447212858520519
Energy: 1.1598615106570327
Energy: 1.1411009619837718
Energy: 1.159861510656347
Energy: 1.1386186067028194
Energy: 1.183572871642059
Energy: 1.2936260636844406
Energy: 1.183572871642059
Energy: 1.1910511490057876
Energy: 1.1491639473168556
Energy: 1.1537749749059327
Energy: 1.1491639473168556
Energy: 1.146404714551066
Energy: 1.249973519104854
Energy: 1.3628849813224133
Energy: 1.2499735191041685
Energy: 1.1802420618061553
Energy: 1.1839545447756072
Energy: 1.1407949278240603
Energy: 1.1839545447749216
Energy: 1.136679446001929
Energy: 1.266107613237873
Energy: 1.1624622415069743
Energy: 1.2661076132385587
Energy: 1.337629271615623
Energy: 1.2241347700289626
Energy: 1.1472922920492723
Energy: 1.224134770026968
Energy: 1.1930182975565558
Energy: 1.3566686988343009
Energy: 1.1350829785890324
Energy: 1.356668698835672
Energy: 1.1828175329481008
Energy: 1.2617073146539268
Energy: 1.1445013439098124
Energy: 1.2617073146546125
Energy: 1.1368559611487856
Energy: 1.22078244315188
Energy: 1.2084535059325823
Energy: 1.2207824431491996
Energy: 1.146562724983055
Energy: 1.2620373350465484
Energy: 1.148733579984209
Energy: 1.2620373350465484
Energy: 1.1341616608469238
Energy: 1.2086592895970996
Energy: 1.141715161681028
Energy: 1.2086592895991566
Energy: 1.146979185028129
Energy: 1.2308969845831808
Energy: 1.3640591191509006
Energy: 1.2308969845811237
Energy: 1.2150971835398028
Energy: 1.3725770943294224
Energy: 1.154321238009855
Energy: 1.3725770943294224
Energy: 1.1445311493280619
Energy: 1.184485104459191
Energy: 1.1875816018968763
Energy: 1.1844851044598765
Energy: 1.2207308521820388
Energy: 1.249227133070975
Energy: 1.1552156235531024
Energy: 1.249227133070975
Energy: 1.1539228699618649
Energy: 1.1498855958529486
Energy: 1.1469368822854349
Energy: 1.149885595852263
Energy: 1.1641319140761925
Energy: 1.2663598676589172
Energy: 1.1391618123627003
Energy: 1.2663598676589172

minimum gb energy = 1.1341616608469238 eV
minimum distance =  2.2173297929471 Angstroms
sigma value = 89


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

Energy: 1.0458722924501156
Energy: 1.0462479928911708
Energy: 1.5198792290910552
Energy: 1.0462479928911708
Energy: 1.0628303245262818
Energy: 1.075003838348028
Energy: 1.0653350176276721
Energy: 1.075003838348028
Energy: 1.0623611989130124
Energy: 1.238420356023299
Energy: 1.804779799870944
Energy: 1.238420356023299
Energy: 1.0532406085726302
Energy: 1.0749861797255487
Energy: 1.0654738276409739
Energy: 1.0749861797255487
Energy: 1.0625463129467698
Energy: 1.166626599652578
Energy: 1.0636460701388446
Energy: 1.166626599652578
Energy: 1.0626930558151195
Energy: 1.0470813147098106
Energy: 1.0500362196468196
Energy: 1.0470813147098106
Energy: 1.0625773882454546
Energy: 1.2385800255774624
Energy: 1.0632732968906238
Energy: 1.2385800255792154
Energy: 1.0845659033280879
Energy: 1.2387851057066324
Energy: 1.065484578154155
Energy: 1.2387851057084263
Energy: 1.0624854759964855
Energy: 1.1669582809825179
Energy: 1.0553601188056623
Energy: 1.1669582809825179
Energy: 1.0751710467217073
Energy: 1.046953464163708
Energy: 1.0485790535610116
Energy: 1.04695346416012
Energy: 1.0457647120996674
Energy: 1.0762639497165347
Energy: 1.0623229925624282
Energy: 1.0762639497165347
Energy: 1.0460015516315762
Energy: 1.23917904193247
Energy: 1.065132153840174
Energy: 1.23917904193247
Energy: 1.0626467475950025
Energy: 1.0491164725313078
Energy: 1.0812732943243895
Energy: 1.0491164725313078
Energy: 1.0489252231454314
Energy: 1.1643319088466424
Energy: 1.0491270219356177
Energy: 1.1643319088466424
Energy: 1.055442288243024
Energy: 1.0489347335822325
Energy: 1.0626290612804363
Energy: 1.0489347335822325

minimum gb energy = 1.0457647120996674 eV
minimum distance =  2.2476275965955 Angstroms
sigma value = 13


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

Energy: 1.1477903657721678
Energy: 1.026952818511939
Energy: 1.5077264369031527
Energy: 1.0269528185104353
Energy: 1.185020027283831
Energy: 1.0341552491973782
Energy: 1.0120110955473842
Energy: 1.0341552491921147
Energy: 1.023465874675039
Energy: 1.0122844529459867
Energy: 1.2407808280980788
Energy: 1.0122844529414752
Energy: 1.0295626106440037
Energy: 1.0341616390901711
Energy: 1.0143825281329293
Energy: 1.0341616390946828
Energy: 1.0204421252228584
Energy: 1.1052130721778664
Energy: 1.0841167042957116
Energy: 1.1052130721778664
Energy: 1.0155923635523503
Energy: 1.0345166645487793
Energy: 1.126479430211123
Energy: 1.0345166645502832
Energy: 1.0205642858584463
Energy: 1.10079727523506
Energy: 1.1597966147348622
Energy: 1.1007972752320525
Energy: 1.0025733172090452
Energy: 1.0340734969496368
Energy: 1.1264888266617146
Energy: 1.0340734969481329
Energy: 1.024139469043354
Energy: 1.1126630408476923
Energy: 1.3008621806377065
Energy: 1.1126630408446845
Energy: 1.2349033720297498
Energy: 1.1198271567823432
Energy: 1.0144992998981603
Energy: 1.1198271567928701
Energy: 1.0322657682202598
Energy: 1.1206372348086282
Energy: 1.0238177549993261
Energy: 1.1206372348086282
Energy: 1.1607394451253017
Energy: 1.1197651965470403
Energy: 1.0049399905691634
Energy: 1.1197651965440325
Energy: 1.0612983153908253
Energy: 1.0222825068044619
Energy: 1.0321201694067403
Energy: 1.0222825068067176
Energy: 1.4121894636259766
Energy: 1.1202701002871462
Energy: 1.0111291484233484
Energy: 1.1202701002856423
Energy: 1.0321585806869726
Energy: 1.0121556169252661
Energy: 1.0187082949662192
Energy: 1.0121556169192507
Energy: 1.1172998399210208
Energy: 1.1208024898960918
Energy: 1.0191266849180574
Energy: 1.1208024898930844
Energy: 1.0300362444205236
Energy: 1.0964965854261357
Energy: 1.0185858498672629
Energy: 1.0964965854291435
Energy: 1.0252471907163603
Energy: 1.1006154583514551
Energy: 1.1404077564586153
Energy: 1.1006154583552148
Energy: 1.0283179408621177
Energy: 1.0304587529835436
Energy: 1.1400071123793032
Energy: 1.0304587529850475
Energy: 1.0289719556660852
Energy: 1.2037359025874053
Energy: 1.140092894193484
Energy: 1.203735902588909
Energy: 1.038332734721674
Energy: 1.1107545181850706
Energy: 1.1404577640162281
Energy: 1.110754518184319
Energy: 1.025894840924179
Energy: 1.011606159680123
Energy: 1.0167882261781955
Energy: 1.0116061596838823
Energy: 1.1273447884893009
Energy: 1.1206068690907194
Energy: 1.0177118465494268
Energy: 1.1206068690914714
Energy: 1.0288968854202547
Energy: 1.0117717189466275
Energy: 1.015046867360412
Energy: 1.0117717189503872
Energy: 1.4868014018830773
Energy: 1.1201436545172312
Energy: 1.0055647859575663
Energy: 1.1201436545149754
Energy: 1.1614316407161673
Energy: 1.0437792216288435
Energy: 1.0084663598502126
Energy: 1.0437792216318513
Energy: 1.0600606690174212
Energy: 1.1201664101769107
Energy: 1.0065093967690808
Energy: 1.120166410173151
Energy: 1.0332564113830933
Energy: 1.1215387441281566
Energy: 1.052835661532235
Energy: 1.1215387441281566
Energy: 1.1418671958419384
Energy: 1.1290677595751988
Energy: 1.0111254708005761
Energy: 1.1290677595782066
Energy: 1.0208876932936164
Energy: 1.100776869985248
Energy: 1.3192729323760803
Energy: 1.100776869987504
Energy: 1.002715679388475
Energy: 1.033869469422032
Energy: 1.126715553674602
Energy: 1.033869469422032
Energy: 1.0205467206317358
Energy: 1.1031579037847625
Energy: 1.3243139752048485
Energy: 1.1031579037877703
Energy: 1.0141493730742395
Energy: 1.0352145798237673
Energy: 1.126499378658372
Energy: 1.0352145798230155
Energy: 1.0228174221008448
Energy: 1.1100323090807431
Energy: 1.3093514970832938
Energy: 1.110032309079991
Energy: 1.1152262657769683
Energy: 1.034356479737805
Energy: 1.010879508939805
Energy: 1.0343564797355491

minimum gb energy = 1.0025733172090452 eV
minimum distance =  2.26545688407036 Angstroms
sigma value = 37


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

Energy: 1.1320969399424525
Energy: 0.9864027256181943
Energy: 0.9713891665046603
Energy: 0.9864027256169006
Energy: 1.1955843290136055
Energy: 0.9561709410446428
Energy: 0.9382144121560968
Energy: 0.9561709410459366
Energy: 0.9529398448268133
Energy: 1.101181294435443
Energy: 1.3212765534690245
Energy: 1.101181294435443
Energy: 1.0789172989218065
Energy: 0.9558845216447462
Energy: 0.9398505259386597
Energy: 0.9558845216447462
Energy: 0.938277225777084
Energy: 0.9559616602853559
Energy: 0.9802497125282836
Energy: 0.9559616602827686
Energy: 0.9563614409423364
Energy: 1.0829816938133796
Energy: 1.0934633080254479
Energy: 1.0829816938133796
Energy: 0.9507032966600728
Energy: 0.9998769198760927
Energy: 1.4147920524905588
Energy: 0.9998769198773865
Energy: 0.9185666148258619
Energy: 0.9567462527993725
Energy: 0.9598571573124245
Energy: 0.9567462527980789
Energy: 0.9393798260361987
Energy: 0.9559663891941965
Energy: 1.2421244787053458
Energy: 0.9559663891929028
Energy: 1.3407121466995853
Energy: 1.0827651259193452
Energy: 1.0937417112628844
Energy: 1.0827651259219029
Energy: 0.9552130633603314
Energy: 1.1585134183378094
Energy: 1.0987352366015755
Energy: 1.1585134183378094
Energy: 1.3038530355790303
Energy: 0.9563128534011165
Energy: 0.9400391881712403
Energy: 0.9563128533998229
Energy: 1.0905232070756665
Energy: 1.0831078406166974
Energy: 1.084368268365719
Energy: 1.0831078406154035
Energy: 1.4148565876807515
Energy: 0.9997142327459861
Energy: 0.9273849903941144
Energy: 0.9997142327447218
Energy: 1.1315768048688404
Energy: 0.9998990950737545
Energy: 0.9371319795811068
Energy: 0.9998990950737545
Energy: 1.1321492461883258
Energy: 0.9561313518076179
Energy: 0.9383366768146378
Energy: 0.9561313518063242
Energy: 1.0904881941871511
Energy: 1.0836233007417642
Energy: 0.9450543005441809
Energy: 1.0836233007417642
Energy: 1.0995754218482996
Energy: 1.0365878822758383
Energy: 0.9379243009536784
Energy: 1.0365878822745447
Energy: 0.9379969161923182
Energy: 0.9577314880130526
Energy: 0.9338301666282374
Energy: 0.9577314880117589
Energy: 0.9338949858877249
Energy: 0.957270984455653
Energy: 1.1011902401365348
Energy: 0.957270984455653

minimum gb energy = 0.9185666148258619 eV
minimum distance =  2.26627440723013 Angstroms
sigma value = 25


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

Energy: 0.8946688417285498
Energy: 0.8501376210374654
Energy: 1.196041224977199
Energy: 0.8501376210374654
Energy: 1.1359102696243726
Energy: 0.8677391754328722
Energy: 0.8510333764286191
Energy: 0.8677391754328722
Energy: 0.8456652832682406
Energy: 0.8454750237298706
Energy: 0.8433395299490272
Energy: 0.8454750237298706
Energy: 0.9183285853867403
Energy: 0.8686974073582758
Energy: 0.8511769991128867
Energy: 0.8686974073582758
Energy: 0.853185606744064
Energy: 0.8677228667577283
Energy: 0.8303028325561005
Energy: 0.8677228667567181
Energy: 0.8301375416425824
Energy: 0.8677921955992435
Energy: 0.8511766656030844
Energy: 0.8677921955982334
Energy: 0.8541192817254238
Energy: 0.8455377062595177
Energy: 0.9194050927542076
Energy: 0.8455377062585073
Energy: 0.834267775352797
Energy: 0.8942167233068701
Energy: 0.8476562527076669
Energy: 0.89421672330586
Energy: 0.8528634195852419
Energy: 0.867762957686105
Energy: 1.1339974257396956
Energy: 0.867762957686105
Energy: 0.8294504473533448
Energy: 0.8507706097563026
Energy: 0.8966672803023028
Energy: 0.8507706097563026
Energy: 0.8541476085599191
Energy: 0.8455839080172198
Energy: 1.3325877243341493
Energy: 0.8455839080162096
Energy: 1.164604903620068
Energy: 1.0044781671474796
Energy: 0.8476134028225016
Energy: 1.0044781671464695
Energy: 0.8528344476978215
Energy: 0.8674531670474931
Energy: 1.0863559317721065
Energy: 0.8674531670464829
Energy: 1.1394360964062769
Energy: 0.9511539361351932
Energy: 0.8510577759521964
Energy: 0.9511539361331729
Energy: 0.8540785449110944
Energy: 0.845623315160477
Energy: 0.8361686982159081
Energy: 0.845623315160477
Energy: 1.1323962498031923
Energy: 1.0053730737156354
Energy: 0.8523408506678247
Energy: 1.005373073712605
Energy: 0.8501521880072592
Energy: 0.8940022061812356
Energy: 0.8352924258229827
Energy: 0.8940022061822458
Energy: 1.1114023564785258
Energy: 0.867387805217343
Energy: 0.8543286500623057
Energy: 0.8673878052143126
Energy: 0.8985768980668264
Energy: 0.8459251289750394
Energy: 0.8349199010668528
Energy: 0.8459251289760497
Energy: 1.335066899823687
Energy: 0.9990541623856718
Energy: 0.8521530368477701
Energy: 0.9990541623856718
Energy: 0.8519780658936402
Energy: 0.9970100306375773
Energy: 0.8452794695832746
Energy: 0.9970100306365672
Energy: 0.8458881147676482
Energy: 0.8674722555313301
Energy: 0.8513420186319713
Energy: 0.8674722555313301
Energy: 0.8543653585900456
Energy: 0.9483181610116925
Energy: 1.1391759346801758
Energy: 0.9483181610106822
Energy: 0.833980244662723
Energy: 0.9994799804253229
Energy: 0.8519542047665947
Energy: 0.9994799804253229
Energy: 0.8515350704956596
Energy: 0.997433688870165
Energy: 1.13326800438974
Energy: 0.997433688870165
Energy: 0.8290303466858223
Energy: 0.8943164587104412
Energy: 0.845529300716535
Energy: 0.8943164587094311

minimum gb energy = 0.8290303466858223 eV
minimum distance =  2.26983692007818 Angstroms
sigma value = 41


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

Energy: 1.1874280476081234
Energy: 0.7976019234242478
Energy: 1.0626220653699114
Energy: 0.7976019234242478
Energy: 1.20712023453104
Energy: 0.7802568782126097
Energy: 0.7732826455896542
Energy: 0.7802568782126097
Energy: 0.795377255142444
Energy: 0.7705710559348815
Energy: 0.7686374637318971
Energy: 0.7705710559332251
Energy: 1.0198261755574094
Energy: 0.781258715480207
Energy: 0.7733200568498984
Energy: 0.7812587154785505
Energy: 0.7676928586830909
Energy: 0.8172734866467842
Energy: 0.7657076468296252
Energy: 0.8172734866451279
Energy: 0.9741013190810198
Energy: 0.781358197850635
Energy: 0.7732602778380562
Energy: 0.781358197850635
Energy: 0.7722638014038933
Energy: 0.780759214108229
Energy: 0.8320593839448381
Energy: 0.7807592141090571
Energy: 0.7607084944035816
Energy: 0.7957142741922725
Energy: 0.7687934137395545
Energy: 0.7957142741939288
Energy: 0.7765236190247253
Energy: 0.7979879844946649
Energy: 1.016329409065612
Energy: 0.7979879844938368
Energy: 0.7694734893018255
Energy: 0.7711026908732063
Energy: 0.7962538601619062
Energy: 0.7711026908715499
Energy: 0.772384538841755
Energy: 0.7806926079785118
Energy: 1.3729790239881716
Energy: 0.7806926079785118
Energy: 0.7602895023344353
Energy: 0.7980882515864446
Energy: 1.188299437974694
Energy: 0.7980882515872727
Energy: 0.7765479082934972
Energy: 0.7985812431761016
Energy: 1.3717233245957527
Energy: 0.7985812431727889
Energy: 0.9520555008313979
Energy: 0.8951159378967101
Energy: 0.7964379896704122
Energy: 0.8951159378983663
Energy: 0.7723425092344441
Energy: 0.7805359374040318
Energy: 1.17949905587751
Energy: 0.7805359374040318
Energy: 1.0200520363932257
Energy: 0.7978562395890754
Energy: 0.768841997138128
Energy: 0.7978562396006696
Energy: 0.7765158960908792
Energy: 0.8799338887017022
Energy: 0.972756142370135
Energy: 0.8799338887025304
Energy: 1.0176480446020795
Energy: 0.88048282170991
Energy: 0.7733674040508536
Energy: 0.8804828217107381
Energy: 0.7723034257843122
Energy: 0.7955762207516827
Energy: 0.764510597941258
Energy: 0.795576220752511
Energy: 1.0176421161423328
Energy: 0.7977544667081489
Energy: 0.7763062894119522
Energy: 0.7977544667081489
Energy: 0.799684437685891
Energy: 1.0533645110441057
Energy: 0.7649230468863035
Energy: 1.0533645110441057
Energy: 1.3693867921844158
Energy: 0.9006656785837753
Energy: 0.7735918823965542
Energy: 0.9006656785812909
Energy: 1.1915606536766041
Energy: 0.7956453771373656
Energy: 0.7605690623694547
Energy: 0.7956453771398502
Energy: 1.2069633452953603
Energy: 0.7953391383019407
Energy: 0.776888092427474
Energy: 0.7953391383027689
Energy: 0.799968561414234
Energy: 0.8823399379870321
Energy: 0.7651577827662351
Energy: 0.8823399379878603
Energy: 1.1895855128309174
Energy: 0.816542402681774
Energy: 0.7735504602549212
Energy: 0.8165424026842586
Energy: 0.7725223429531768
Energy: 0.7967044435052861
Energy: 1.020249457214403
Energy: 0.7967044435028017
Energy: 0.7698084168039093
Energy: 1.0532845511724345
Energy: 0.7763127240581004
Energy: 1.0532845511716062
Energy: 0.7765439586528048
Energy: 0.886610233583125
Energy: 1.0178819187494157
Energy: 0.8866102335856094
Energy: 0.7645452789655326
Energy: 0.925266725771472
Energy: 0.7768267772416784
Energy: 0.925266725771472
Energy: 0.7804673736545158
Energy: 0.7962205180922226
Energy: 1.017689958630562
Energy: 0.7962205180930506
Energy: 0.7602070677635351
Energy: 1.05256735052632
Energy: 0.8049078862044328
Energy: 1.05256735052632

minimum gb energy = 0.7602070677635351 eV
minimum distance =  2.25762293723965 Angstroms
sigma value = 15


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

Energy: 1.0787574641220468
Energy: 0.7318300383919029
Energy: 1.4456297780484189
Energy: 0.7318300383933061
Energy: 1.2463930335579207
Energy: 0.7278012318013983
Energy: 0.7287858741615663
Energy: 0.7278012318028017
Energy: 0.7533101638179882
Energy: 0.7270283188360854
Energy: 0.7118752023202033
Energy: 0.7270283188339808
Energy: 1.08934037250673
Energy: 0.7291431430248585
Energy: 0.7288754057897191
Energy: 0.7291431430227537
Energy: 0.7252785598279076
Energy: 0.813897306032057
Energy: 0.7133366817163107
Energy: 0.8138973060313555
Energy: 1.0625959786253272
Energy: 0.7282162931892527
Energy: 0.7290889867576832
Energy: 0.728216293188551
Energy: 0.7279673396709817
Energy: 0.7406396276439969
Energy: 0.76458899645019
Energy: 0.740639627640489
Energy: 0.8884353936550389
Energy: 0.739640222845713
Energy: 0.7290255992580883
Energy: 0.739640222850624
Energy: 0.7311735531500553
Energy: 0.7416121715970684
Energy: 0.9252372649224101
Energy: 0.7416121715984716
Energy: 0.7049944657559908
Energy: 0.7267350390494527
Energy: 0.7260994790138365
Energy: 0.726735039047348
Energy: 0.7280706879149099
Energy: 0.7287233809182528
Energy: 1.0900465699667503
Energy: 0.7287233809182528
Energy: 0.7123377464573555
Energy: 0.7274336900420185
Energy: 0.7539411440768563
Energy: 0.7274336900399136
Energy: 0.731007732474455
Energy: 0.7423975501498333
Energy: 1.3878784139955587
Energy: 0.7423975501498333
Energy: 0.7046608618652369
Energy: 0.7321189072064466
Energy: 1.0795298916844656
Energy: 0.7321189072078498
Energy: 0.728049434591975
Energy: 0.7287554681934355
Energy: 1.3924770067793586
Energy: 0.7287554681948386
Energy: 0.8821347331957746
Energy: 0.7275258868826574
Energy: 0.7542136745895573
Energy: 0.7275258868819557
Energy: 0.7308874034864289
Energy: 0.7418609730389156
Energy: 1.220102026845254
Energy: 0.7418609730375124
Energy: 0.9274837792493311
Energy: 0.809451437901431
Energy: 0.726043040765929
Energy: 0.809451437908383
Energy: 0.7280950369269644
Energy: 0.7272570183900586
Energy: 1.0629385228568542
Energy: 0.7272570183858492
Energy: 0.9256321932557608
Energy: 0.7288839314549835
Energy: 0.7286964786650794
Energy: 0.7288839314570884
Energy: 0.7309958960007685
Energy: 0.7547998448672202
Energy: 0.8891916987074808
Energy: 0.7547998448637123
Energy: 0.9258862351517834
Energy: 0.7395223962559516
Energy: 0.7345360380945698
Energy: 0.7395223962559516
Energy: 0.7283612989034555
Energy: 0.7264620928760922
Energy: 0.7062058863906965
Energy: 0.7264620928753907
Energy: 1.2766161200473234
Energy: 0.7286337984612774
Energy: 0.7288577104138174
Energy: 0.7286337984619792
Energy: 0.7563106813004529
Energy: 0.7545300409627576
Energy: 0.7081469055214669
Energy: 0.7545300409634593
Energy: 1.2483230109364414
Energy: 0.739784540029437
Energy: 0.7342417707340511
Energy: 0.7397845400287355
Energy: 1.0814562552959386
Energy: 0.727003268267509
Energy: 0.7052124803437292
Energy: 0.7270032682689122
Energy: 1.3925915137961995
Energy: 0.7290865876518802
Energy: 0.7287422799950721
Energy: 0.7290865876546866
Energy: 0.756220253217575
Energy: 0.8349160293085932
Energy: 0.711375741162067
Energy: 0.8349160293121012
Energy: 1.0742355272798674
Energy: 0.7418412059978431
Energy: 0.7343978092475345
Energy: 0.7418412059985446
Energy: 0.7280903668691923
Energy: 0.8004035920653563
Energy: 0.927481761972753
Energy: 0.8004035920639531
Energy: 1.0753910795593322
Energy: 0.7262956969583799
Energy: 0.7289336408372287
Energy: 0.7262956969611863
Energy: 0.7309540742028939
Energy: 0.8278074098235684
Energy: 0.9259415143241319
Energy: 0.8278074098214635
Energy: 0.7127977244142142
Energy: 0.7544190713667253
Energy: 0.7347072543210857
Energy: 0.75441907136883
Energy: 0.7238855998798339
Energy: 0.7990825966700628
Energy: 0.9262998835826773
Energy: 0.7990825966700628
Energy: 0.7078939530094741
Energy: 0.7267010129593962
Energy: 0.7319020903322495
Energy: 0.7267010129593962
Energy: 0.7308070992099189
Energy: 0.8362253202390437
Energy: 1.2730905279763016
Energy: 0.8362253202376405

minimum gb energy = 0.7046608618652369 eV
minimum distance =  2.26617759396815 Angstroms
sigma value = 85


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

Energy: 1.0079467994376887
Energy: 0.7062787820041553
Energy: 1.3720949058338745
Energy: 0.7062787820029383
Energy: 1.274425534482706
Energy: 0.700387020075582
Energy: 0.6671861653933422
Energy: 0.700387020075582
Energy: 0.9703506243222157
Energy: 0.7002934886137434
Energy: 0.6441289877778625
Energy: 0.7002934886137434
Energy: 1.230141799464075
Energy: 0.7004566941277293
Energy: 0.667183100807971
Energy: 0.7004566941271206
Energy: 0.698619165018414
Energy: 0.6653240502901362
Energy: 0.6370587809721915
Energy: 0.6653240502895277
Energy: 1.0896680367343168
Energy: 0.7010201910830901
Energy: 0.6671743862408246
Energy: 0.7010201910824815
Energy: 0.6634260877689614
Energy: 0.7218811528321836
Energy: 0.7131812845852956
Energy: 0.7218811528321836
Energy: 0.9502828603716285
Energy: 0.6990545412073343
Energy: 0.6671063163297068
Energy: 0.6990545412073343
Energy: 0.6663767433780916
Energy: 0.6808616588336617
Energy: 0.8662085548834801
Energy: 0.6808616588336617
Energy: 0.7957280195284172
Energy: 0.7214055215579172
Energy: 0.6641903896207639
Energy: 0.7214055215585258
Energy: 0.6692029533475373
Energy: 0.7004964249682086
Energy: 1.0008598937294237
Energy: 0.7004964249682086
Energy: 0.6373300776163477
Energy: 0.6989447463154648
Energy: 0.699439825643556
Energy: 0.6989447463154648
Energy: 0.6665108732951337
Energy: 0.6801655196773232
Energy: 1.1371023479962952
Energy: 0.6801655196785402
Energy: 0.6444520986949156
Energy: 0.7004124923490999
Energy: 0.9711245598990077
Energy: 0.7004124923484912
Energy: 0.6675714033705266
Energy: 0.7004413307247881
Energy: 1.3699688362759443
Energy: 0.7004413307241795
Energy: 0.6376214972844325
Energy: 0.7062140467973517
Energy: 1.0087912738616902
Energy: 0.7062140467961624
Energy: 0.6664401117593534
Energy: 0.6801929366840241
Energy: 1.3691001130697145
Energy: 0.6801929366834156
Energy: 0.7766444914712294
Energy: 0.7005138820724603
Energy: 0.9711445262475502
Energy: 0.7005138820718517
Energy: 0.6695142636524279
Energy: 0.7004467543018118
Energy: 1.2294256844819926
Energy: 0.7004467543018118
Energy: 0.8314009712018128
Energy: 0.7057734767977876
Energy: 0.6997420349073125
Energy: 0.7057734767983962
Energy: 0.6664069052993948
Energy: 0.6800126211548952
Energy: 1.089597025983913
Energy: 0.6800126211548952
Energy: 0.8291871942424713
Energy: 0.7005622133382933
Energy: 0.6642945183073333
Energy: 0.7005622133370762
Energy: 0.669440573728697
Energy: 0.6988649495029201
Energy: 0.949871630701591
Energy: 0.6988649495029201
Energy: 0.8317370287182069
Energy: 0.7251965001332951
Energy: 0.6671552317532297
Energy: 0.7251965001332951
Energy: 0.6665210724241267
Energy: 0.6987006005970251
Energy: 0.795269293836282
Energy: 0.6987006005964442
Energy: 1.132830350467614
Energy: 0.7006733057302067
Energy: 0.66801786576969
Energy: 0.7006733057302067
Energy: 0.7013395232628292
Energy: 0.6987463855892974
Energy: 0.6372863897405331
Energy: 0.6987463855899059
Energy: 1.1404871404055685
Energy: 0.7250126662628766
Energy: 0.6671966470506838
Energy: 0.7250126662659191
Energy: 0.973404636786564
Energy: 0.7008053128641675
Energy: 0.6411031517762085
Energy: 0.7008053128647761
Energy: 1.3701347756757785
Energy: 0.7006952729391801
Energy: 0.6678388470168126
Energy: 0.7006952729416139
Energy: 1.011077259226417
Energy: 0.6987562643139935
Energy: 0.6371832866328991
Energy: 0.698756264313385
Energy: 1.2531357563361354
Energy: 0.7213365798396172
Energy: 0.6672479558122929
Energy: 0.7213365798390087
Energy: 0.9734033929650878
Energy: 0.7007003931321866
Energy: 0.6456699846065587
Energy: 0.7007003931315781
Energy: 1.229244063646959
Energy: 0.7007366404528709
Energy: 0.6687897562378596
Energy: 0.7007366404528709
Energy: 0.7018606408973384
Energy: 0.6988424720726572
Energy: 0.8313156527151647
Energy: 0.6988424720738741
Energy: 0.96154225532204
Energy: 0.7212036906421633
Energy: 0.6671731054180137
Energy: 0.7212036906415548
Energy: 0.666645891155261
Energy: 0.6987459308638974
Energy: 0.8294649751262273
Energy: 0.6987459308645058
Energy: 0.9500891382433593
Energy: 0.6986172464883166
Energy: 0.6664309265924138
Energy: 0.6986172464877081
Energy: 0.6695743231991499
Energy: 0.6986554416075907
Energy: 0.8322411538652223
Energy: 0.6986554416069822
Energy: 0.6447316769142255
Energy: 0.7454843198764541
Energy: 0.6677311351253343
Energy: 0.7454843198764541
Energy: 0.6663804013331378
Energy: 0.6986260898418188
Energy: 1.1329884124392446
Energy: 0.6986260898418188
Energy: 0.6388106906954498
Energy: 0.6986296447750713
Energy: 0.6985031467251437
Energy: 0.6986296447750713
Energy: 0.6671369138486719
Energy: 0.698688658411454
Energy: 1.1404668554828568
Energy: 0.6986886584120624

minimum gb energy = 0.6370587809721915 eV
minimum distance =  2.2753565738949 Angstroms
sigma value = 113


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

Energy: 0.02053771976640932
Energy: 0.021200777561377955
Energy: 0.9711745798159693
Energy: 0.021200777560910187
Energy: 0.9703327731868119
Energy: 0.4148784766218205
Energy: 0.41520928577664856
Energy: 0.4148784766231718
Energy: 0.02053771976640932
Energy: 0.021200777561377955
Energy: 0.9711745610366661
Energy: 0.021200777560442415
Energy: 0.9703327731872796
Energy: 0.4148784766218205
Energy: 0.41520928577805183
Energy: 0.4148784766231718
Energy: 0.02053771976640932
Energy: 0.021200777561377955
Energy: 0.9711747670737164
Energy: 0.021200777560910187
Energy: 0.9703327731868119
Energy: 0.4148784766218205
Energy: 0.41520928577711635
Energy: 0.414878476622704

minimum gb energy = 0.02053771976640932 eV
minimum distance =  2.48225159623838 Angstroms
sigma value = 1