Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150153368711472
cohesive_energy=6.8105384573284145
mass=95.95
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: -9.5367431640625e-07 eV

========================================
theta = 0.0
========================================

Energy: 0.017344726440416607
Energy: 0.017726894782350507
Energy: 5.65993961309151
Energy: 0.01772689478152453
Energy: 0.01772689478152453
Energy: 0.017420680102991182
Energy: 1.3878953875011037
Energy: 0.017420680103817164
Energy: 5.65993961309151
Energy: 1.3878953875011037
Energy: 1.3879349779015648
Energy: 1.3878953875011037
Energy: 0.01772689478152453
Energy: 0.017420680103817164
Energy: 1.3878953875011037
Energy: 0.017420680103817164

minimum gb energy = 0.017344726440416607 eV
minimum distance =  2.72633573147776 Angstroms
sigma value = 1


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

Energy: 2.2214764812298893
Energy: 2.485041896717271
Energy: 3.921060065441878
Energy: 2.485041896717271
Energy: 2.3597533456624906
Energy: 1.4721762926716475
Energy: 1.6599083528886762
Energy: 1.4721762926706456
Energy: 2.7026360846886424
Energy: 1.5715162782782823
Energy: 1.5221545703080603
Energy: 1.5715162782772807
Energy: 2.1325489216298172
Energy: 1.6904404012339864
Energy: 1.6598499384579308
Energy: 1.6904404012329846
Energy: 2.1399432700772083
Energy: 1.69085621552344
Energy: 2.189769260569926
Energy: 1.6908562155224383
Energy: 2.3853311837184017
Energy: 1.6938802298259323
Energy: 1.4768128879528921
Energy: 1.6938802298249307
Energy: 1.8186442194229107
Energy: 1.8957240475492896
Energy: 1.476658539429312
Energy: 1.8957240475512929
Energy: 1.4638125606986911
Energy: 1.8299090277305226
Energy: 2.189577848492358
Energy: 1.8299090277335277
Energy: 1.8182751351563133
Energy: 1.8094346251167206
Energy: 2.106879006071803
Energy: 1.8094346251177222
Energy: 2.5030452750420493
Energy: 1.4767105835831624
Energy: 1.8371473428177894
Energy: 1.4767105835831624
Energy: 1.5130602908360553
Energy: 1.6347790278015382
Energy: 2.1110663719846947
Energy: 1.6347790278035417
Energy: 1.5128661541337838
Energy: 1.512924496606601
Energy: 3.0436004209222323
Energy: 1.5129244966096067
Energy: 1.9753562347511096
Energy: 1.8107550306686275
Energy: 2.1259627288183633
Energy: 1.8107550306706308
Energy: 1.6182177234746529
Energy: 1.888374237766967
Energy: 2.202839539534378
Energy: 1.8883742377699722
Energy: 1.5748686808165495
Energy: 1.8072550582168025
Energy: 2.358673084162384
Energy: 1.8072550582168025
Energy: 1.5749390181351859
Energy: 1.8144725623192668
Energy: 2.3617992992131103
Energy: 1.814472562318265
Energy: 1.6185468104044267
Energy: 1.809544071727685
Energy: 2.226085558668972
Energy: 1.809544071726683
Energy: 1.975546470692748
Energy: 1.810601141778674
Energy: 2.0889493748195562
Energy: 1.810601141778674
Energy: 1.5186106462979865
Energy: 1.5129842273042473
Energy: 3.090147237822429
Energy: 1.512984227306251
Energy: 1.5131713068385106
Energy: 1.811223887029678
Energy: 1.8039860923267954
Energy: 1.8112238870276745
Energy: 2.504261860358232
Energy: 1.477460461808975
Energy: 1.8398344888666005
Energy: 1.47746046180597
Energy: 1.8185116492942257
Energy: 1.6894666192809984
Energy: 2.1070418299689138
Energy: 1.689466619282
Energy: 1.8694278281788512
Energy: 1.4866461369595798
Energy: 1.8865572162222857
Energy: 1.4866461369595798
Energy: 2.1403834977969263
Energy: 1.8909845283869595
Energy: 1.4770408137493352
Energy: 1.8909845283869595
Energy: 2.3852048867642437
Energy: 1.693294882588885
Energy: 1.4768531947694377
Energy: 1.6932948825868814
Energy: 2.224057469614959
Energy: 1.7446573498982867
Energy: 2.189889668221294
Energy: 1.7446573498992883
Energy: 2.0895375548256947
Energy: 1.6903342288238439
Energy: 1.659568445973346
Energy: 1.6903342288198366
Energy: 2.7028423246988527
Energy: 1.571518905681456
Energy: 1.5232788171900495
Energy: 1.5715189056834595
Energy: 2.3595933121149697
Energy: 1.4724750397097648
Energy: 1.65975128819629
Energy: 1.4724750397097648
Energy: 2.2229141446640317
Energy: 1.477820712918565
Energy: 1.660135447608819
Energy: 1.4778207129175631
Energy: 2.361745438220255
Energy: 1.4726442099088597
Energy: 1.6138515975900372
Energy: 1.4726442099058543
Energy: 2.3854484444175696
Energy: 1.7419182685666372
Energy: 1.5224327584111463
Energy: 1.7419182685706438
Energy: 2.139702794843673
Energy: 1.6911516210891657
Energy: 1.659780977441712
Energy: 1.6911516210881636

minimum gb energy = 1.4638125606986911 eV
minimum distance =  2.47883060317399 Angstroms
sigma value = 1


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

Energy: 2.415537275737722
Energy: 2.294994224191923
Energy: 4.092952977115566
Energy: 2.29499422419078
Energy: 2.1906426205948843
Energy: 1.7499978110400927
Energy: 1.948618992539261
Energy: 1.7499978110400927
Energy: 2.2733579182277195
Energy: 1.5910863036133476
Energy: 1.5908591368814706
Energy: 1.5910863036133476
Energy: 1.504275088691968
Energy: 1.9676643794270567
Energy: 1.949169933710905
Energy: 1.9676643794281987
Energy: 1.504381876017507
Energy: 1.9677091182151498
Energy: 2.4553886631338555
Energy: 1.9677091182151498
Energy: 2.2734359931825012
Energy: 1.5662027259048874
Energy: 1.56609238599343
Energy: 1.5662027259048874
Energy: 1.5664762692653493
Energy: 1.5890724590487089
Energy: 1.5659909102553438
Energy: 1.5890724590487089
Energy: 1.5660582930921887
Energy: 1.5660406621807739
Energy: 2.4551052770589097
Energy: 1.5660406621807739
Energy: 1.5668360352510586
Energy: 1.7498704217166094
Energy: 2.2776068039571626
Energy: 1.7498704217166094
Energy: 1.948052245119714
Energy: 1.5041559654257979
Energy: 1.5046212229393734
Energy: 1.5041559654257979
Energy: 1.590840635214343
Energy: 1.9682888568252939
Energy: 2.2779323777797336
Energy: 1.9682888568264363
Energy: 1.6948386990515445
Energy: 1.7882136323974471
Energy: 2.9304375289323303
Energy: 1.788213632398589
Energy: 1.9471325948039582
Energy: 1.7497779232722055
Energy: 2.19370974593539
Energy: 1.7497779232710633
Energy: 1.9471325948028162
Energy: 1.7497688132068845
Energy: 2.1940468473260872
Energy: 1.7497688132080267
Energy: 1.6951115754464694
Energy: 1.788009990540484
Energy: 2.930482916945875
Energy: 1.788009990540484
Energy: 1.590915340935575
Energy: 1.9683351349820424
Energy: 2.27799026413476
Energy: 1.9683351349820424
Energy: 1.948052245114003
Energy: 1.5041455235688717
Energy: 1.504615123551894
Energy: 1.5041455235688717
Energy: 1.5667631362831238
Energy: 1.7498243806017555
Energy: 2.2776460236812115
Energy: 1.7498243806017555
Energy: 1.5660603533979336
Energy: 1.56602961716174
Energy: 2.455105277053199
Energy: 1.56602961716174
Energy: 1.5664674623606074
Energy: 1.5891983547460389
Energy: 1.5659881731476513
Energy: 1.5891983547471809
Energy: 2.2734636018963847
Energy: 1.5662017322494053
Energy: 1.5660787162427423
Energy: 1.566201732248263
Energy: 1.504415352441531
Energy: 1.96783703841036
Energy: 2.455388663129287
Energy: 1.967837038412644
Energy: 1.5042487950719265
Energy: 1.9676695862167335
Energy: 1.9491699337120474
Energy: 1.967669586217876
Energy: 2.273409409228303
Energy: 1.5910348893807116
Energy: 1.590840230017723
Energy: 1.5910348893795694
Energy: 2.1906731342835704
Energy: 1.749976149054502
Energy: 1.9486189925369766
Energy: 1.7499761490556442
Energy: 2.415537275737722
Energy: 2.29499422419078
Energy: 4.0929529771144235
Energy: 2.294994224191923
Energy: 2.1906426205937426
Energy: 1.7499978110389507
Energy: 1.948618992539261
Energy: 1.7499978110400927
Energy: 2.2733579182277195
Energy: 1.5910863036133476
Energy: 1.5908591368814706
Energy: 1.5910863036133476
Energy: 1.5042750886908258
Energy: 1.9676643794281987
Energy: 1.9491699337120474
Energy: 1.9676643794281987

minimum gb energy = 1.5041455235688717 eV
minimum distance =  2.48902898731061 Angstroms
sigma value = 25


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

Energy: 2.111198114934793
Energy: 2.517869242642401
Energy: 4.010155262006627
Energy: 2.5178692426397458
Energy: 2.37296229231673
Energy: 1.6213549573667096
Energy: 1.9106134489713689
Energy: 1.6213549573667096
Energy: 2.442543430607785
Energy: 1.7103701359928343
Energy: 1.7099390204924025
Energy: 1.7103701359928343
Energy: 2.069955252861712
Energy: 1.9316633751744379
Energy: 1.910699004872826
Energy: 1.9316633751744379
Energy: 2.0705040985425827
Energy: 1.9315119509528171
Energy: 2.1631738896075308
Energy: 1.931511950955473
Energy: 2.4425053997300763
Energy: 1.6217034664475383
Energy: 1.6212347384718389
Energy: 1.6217034664475383
Energy: 1.6902139248324084
Energy: 1.7918510041597053
Energy: 1.6211350593274292
Energy: 1.7918510041597053
Energy: 1.645391484276805
Energy: 1.6907675567329976
Energy: 2.543073420199545
Energy: 1.6907675567329976
Energy: 1.8160918581314953
Energy: 1.9333156567095529
Energy: 2.0501659088234288
Energy: 1.933315656708225
Energy: 1.8429876711583162
Energy: 2.061958502895338
Energy: 2.114623771649955
Energy: 2.0619585028940097
Energy: 1.842665330191625
Energy: 1.8246774294788428
Energy: 2.3971196618111485
Energy: 1.8246774294775152
Energy: 1.7747062573792765
Energy: 1.6903415698254405
Energy: 2.3971188005683617
Energy: 1.6903415698227848
Energy: 1.8427394437452136
Energy: 1.8430233695100684
Energy: 2.113361822126477
Energy: 1.8430233695100684
Energy: 1.815970830370721
Energy: 1.634471908525966
Energy: 2.0502061773762357
Energy: 1.634471908525966
Energy: 1.6900938585149177
Energy: 1.6906728660831798
Energy: 2.9019633863370187
Energy: 1.6906728660845072
Energy: 1.690104095062334
Energy: 1.931590057726237
Energy: 1.6211834501155804
Energy: 1.931590057726237
Energy: 2.957593929842763
Energy: 1.621604579076736
Energy: 1.6212923969746091
Energy: 1.621604579076736
Energy: 2.0695171734784314
Energy: 1.791546740860812
Energy: 2.1631751828095203
Energy: 1.7915467408621095
Energy: 1.8679976959362972
Energy: 1.9316109915699042
Energy: 1.9107611205970807
Energy: 1.931610991571232
Energy: 2.0701832624130727
Energy: 1.621403714993895
Energy: 1.7112896965420497
Energy: 1.6214037149952227
Energy: 2.3729131539792587
Energy: 1.6213262825049661
Energy: 1.7247998574296401
Energy: 1.6213262825062937
Energy: 2.113797133767011
Energy: 2.5187481973950083
Energy: 1.9113068493427658
Energy: 2.5187481973950083
Energy: 2.3737105195724584
Energy: 1.81602753352265
Energy: 2.0475940212235337
Energy: 1.81602753352265
Energy: 2.4733378215369584
Energy: 1.7244562648181305
Energy: 1.723873476551791
Energy: 1.724456264816803
Energy: 2.0702906859810364
Energy: 1.9314426444868862
Energy: 1.72389426644045
Energy: 1.9314426444855584

minimum gb energy = 1.6211350593274292 eV
minimum distance =  2.47057037106725 Angstroms
sigma value = 9


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

Energy: 1.6103602033949058
Energy: 1.61061324219733
Energy: 4.28866568357319
Energy: 1.61061324219733
Energy: 1.6104828028426075
Energy: 1.7412065742555234
Energy: 1.7402609420647057
Energy: 1.7412065742555234
Energy: 1.9031016800609757
Energy: 1.7934548461456692
Energy: 1.9031692745752506
Energy: 1.7934548461456692
Energy: 1.739852959856489
Energy: 1.7399672215414235
Energy: 1.9033607454855075
Energy: 1.7399672215414235
Energy: 1.7398737779683695
Energy: 1.7398997987708937
Energy: 1.9030520179964445
Energy: 1.7398997987708937
Energy: 3.0665608312223718
Energy: 1.7400207406160253
Energy: 1.739992024573525
Energy: 1.7400207406160253
Energy: 1.9032836679034486
Energy: 1.7401159896752583
Energy: 1.740111805392665
Energy: 1.7401159896752583
Energy: 1.9033420272464145
Energy: 1.9033321970023398
Energy: 2.606306994336901
Energy: 1.9033321970023398
Energy: 2.375566352315673
Energy: 1.7399290642366747
Energy: 1.6105428066097034
Energy: 1.7399290642366747
Energy: 2.375646387205218
Energy: 1.6110538053883146
Energy: 1.6104411954945759
Energy: 1.6110538053883146
Energy: 1.90318243352584
Energy: 1.8506678669205954
Energy: 2.60632916718357
Energy: 1.8506678669205954
Energy: 1.9030719022058116
Energy: 1.610974704695742
Energy: 1.9031191167241404
Energy: 1.610974704695742
Energy: 2.3759301381769506
Energy: 1.7403004183955548
Energy: 1.7403287080313987
Energy: 1.7403004183971384
Energy: 1.9030108377833692
Energy: 1.7273426853022102
Energy: 1.9029746806139938
Energy: 1.7273426853022102
Energy: 1.7403102721198132
Energy: 1.7404438316615445
Energy: 2.3759301381753666
Energy: 1.7404438316599609
Energy: 1.9030992541711478
Energy: 1.6115616944178375
Energy: 1.903183455625894
Energy: 1.6115616944178375
Energy: 2.6062810091955484
Energy: 1.850684384066069
Energy: 1.9031876760604842
Energy: 1.850684384066069
Energy: 1.6104624536681238
Energy: 1.6109784772904863
Energy: 2.375646387205218
Energy: 1.6109784772889022
Energy: 1.6105121448014745
Energy: 1.7399201117427325
Energy: 2.3755663523172568
Energy: 1.7399201117427325
Energy: 2.6064659901983287
Energy: 1.9032962974216743
Energy: 1.9033356403709445
Energy: 1.9032962974216743
Energy: 1.7400477890233654
Energy: 1.7399247363672332
Energy: 1.9032940206344715
Energy: 1.7399247363672332

minimum gb energy = 1.6103602033949058 eV
minimum distance =  2.54485554988656 Angstroms
sigma value = 25


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

Energy: 1.7902868770783695
Energy: 2.487245310164506
Energy: 4.009476683037409
Energy: 2.487245310164506
Energy: 2.458784276373843
Energy: 1.9217493047425276
Energy: 1.9157758051868945
Energy: 1.9217493047425276
Energy: 2.0833104959385316
Energy: 1.9168457941846455
Energy: 1.9169250294119773
Energy: 1.9168457941846455
Energy: 1.9201956002302298
Energy: 1.8901117062620536
Energy: 1.9391810966468097
Energy: 1.8901117062640123
Energy: 2.0827151952533045
Energy: 1.9006670920841813
Energy: 2.553677321051199
Energy: 1.9006670920841813
Energy: 2.7563873327304185
Energy: 1.7834611066573982
Energy: 1.7830467835779134
Energy: 1.7834611066573982
Energy: 2.093780950762587
Energy: 1.890078095410821
Energy: 1.7832914012831782
Energy: 1.8900780954127796
Energy: 2.028221529853779
Energy: 2.1801784906939132
Energy: 2.5536493441346004
Energy: 2.1801784906939132
Energy: 2.0938111290061014
Energy: 1.7833327233758869
Energy: 1.7830470039254123
Energy: 1.7833327233758869
Energy: 2.0833255655545724
Energy: 1.7834763565424583
Energy: 1.7830098774489667
Energy: 1.7834763565444172
Energy: 1.889858602907809
Energy: 1.8898267608550166
Energy: 2.5081246110912394
Energy: 1.8898267608569752
Energy: 1.8898918858672815
Energy: 1.7831780886319124
Energy: 1.939261954267625
Energy: 1.7831780886319124
Energy: 2.339473439272101
Energy: 1.93955894179491
Energy: 1.9408052258764705
Energy: 1.9395589417929513
Energy: 2.4568906185166104
Energy: 1.7837939287202464
Energy: 2.429667303898915
Energy: 1.7837939287222053
Energy: 2.5641702395501227
Energy: 1.9188856119568782
Energy: 2.4296495853906186
Energy: 1.918885611958837
Energy: 2.449063536112012
Energy: 1.8627763737000873
Energy: 1.9399854071007374
Energy: 1.8627763737000873
Energy: 2.0829511166106554
Energy: 1.783218483719245
Energy: 1.9404025655225705
Energy: 1.783218483719245

minimum gb energy = 1.7830098774489667 eV
minimum distance =  2.53076695146589 Angstroms
sigma value = 17


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

Energy: 2.28075473871723
Energy: 2.226594014175491
Energy: 3.8062800210174603
Energy: 2.2265940141766003
Energy: 2.4077341055486605
Energy: 2.0427324110698337
Energy: 2.1451739254339652
Energy: 2.0427324110687244
Energy: 2.175905340736895
Energy: 1.9033420356107795
Energy: 1.9189078711735064
Energy: 1.9033420356096702
Energy: 1.8491381855412206
Energy: 1.8490495808731038
Energy: 2.0359254433375154
Energy: 1.8490495808731038
Energy: 1.9838195399815162
Energy: 1.9253744778302282
Energy: 2.2704080295329203
Energy: 1.9253744778280097
Energy: 2.533928441314985
Energy: 2.2505112211711333
Energy: 1.8409097695744794
Energy: 2.2505112211733516
Energy: 2.2066531409750207
Energy: 2.007794828217505
Energy: 2.2706864143994836
Energy: 2.0077948282219427
Energy: 1.9762089644836447
Energy: 1.8484298769233671
Energy: 2.3884536267886034
Energy: 1.8484298769222574
Energy: 2.0062451982635583
Energy: 1.9326575165404882
Energy: 1.8564330931064121
Energy: 1.9326575165415976
Energy: 2.362082833109248
Energy: 1.9485297835774371
Energy: 2.003562072976622
Energy: 1.948529783579656
Energy: 1.8447690142497195
Energy: 1.844238019777236
Energy: 2.400157835628475
Energy: 1.8442380197739079
Energy: 1.8445619483077007
Energy: 1.9293485274134796
Energy: 2.0845983510841926
Energy: 1.9293485274156983
Energy: 2.3612939402323345
Energy: 2.1354306527384
Energy: 2.094389176319073
Energy: 2.1354306527395095
Energy: 1.844429972590238
Energy: 1.8458205948985913
Energy: 2.229407779891746
Energy: 1.8458205948974822
Energy: 1.8444201521662433
Energy: 2.000463428526752
Energy: 2.450205550257613
Energy: 2.000463428527862
Energy: 2.353511663401804
Energy: 1.9292907112684234
Energy: 1.8466913666992748
Energy: 1.9292907112695328
Energy: 1.9764870556176244
Energy: 2.0487361854382455
Energy: 1.9444376913584283
Energy: 2.048736185436027
Energy: 2.010626216847647
Energy: 2.138065178968239
Energy: 2.259110633167154
Energy: 2.1380651789704577
Energy: 2.2025519219439076
Energy: 2.0200999395632175
Energy: 2.2534384937368004
Energy: 2.0200999395609984
Energy: 2.55630719517678
Energy: 2.031811605510774
Energy: 2.255260640561045
Energy: 2.031811605510774
Energy: 1.8784846406713975
Energy: 1.9916523117094624
Energy: 2.3734072228589063
Energy: 1.9916523117105718
Energy: 1.8785067995941573
Energy: 1.9301106075482168
Energy: 1.9396939115537861
Energy: 1.9301106075482168
Energy: 2.3252020270282396
Energy: 1.9395554059092455
Energy: 1.9396425966083541
Energy: 1.9395554059136828
Energy: 2.230585686850429
Energy: 1.8228795871636576
Energy: 2.3596638782787536
Energy: 1.8228795871658763
Energy: 2.262706321392881
Energy: 1.8227091171464642
Energy: 2.359796266449825
Energy: 1.8227091171187808
Energy: 2.3236296439361572
Energy: 1.939490314910373
Energy: 1.9624567769462216
Energy: 1.9394903149081544
Energy: 1.8783258515009613
Energy: 1.9296846550723943
Energy: 1.902905076489099
Energy: 1.9296846550723943
Energy: 1.8787385794257043
Energy: 1.8791282776079061
Energy: 2.3688532969092284
Energy: 1.8791282776067966
Energy: 2.2990719035716514
Energy: 1.9482910112898644
Energy: 2.2587956771083095
Energy: 1.9482910112909737
Energy: 2.20232973344638
Energy: 2.017486885539532
Energy: 1.84052935121081
Energy: 2.0174868855417505

minimum gb energy = 1.8227091171187808 eV
minimum distance =  2.50079104542987 Angstroms
sigma value = 53


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

Energy: 1.7756336727134405
Energy: 1.776716854024851
Energy: 4.156029780154288
Energy: 1.776716854024851
Energy: 2.046896122545498
Energy: 1.8141894269028942
Energy: 2.047226142819164
Energy: 1.8141894269028942
Energy: 2.6050126847043664
Energy: 1.9236753205704429
Energy: 2.258135391365236
Energy: 1.9236753205704429
Energy: 2.2582550506925
Energy: 1.923689616542633
Energy: 2.6048961217936397
Energy: 1.923689616542633
Energy: 2.047225986439356
Energy: 1.8142102823524946
Energy: 2.046907832700778
Energy: 1.8142102823499406
Energy: 4.156029780154288
Energy: 1.776716854024851
Energy: 1.7756336727134405
Energy: 1.776716854024851
Energy: 2.047226142819164
Energy: 1.8141894269028942
Energy: 2.046896122545498
Energy: 1.8141894269028942
Energy: 2.258135391365236
Energy: 1.9236753205704429
Energy: 2.6050126847043664
Energy: 1.9236753205704429
Energy: 2.6048961217910858
Energy: 1.923689616542633
Energy: 2.258255050689946
Energy: 1.923689616542633
Energy: 2.046907832700778
Energy: 1.8142102823524946
Energy: 2.047225986439356
Energy: 1.8142102823524946
Energy: 1.7756336727134405
Energy: 1.776716854024851
Energy: 4.1560297801568415
Energy: 1.776716854024851
Energy: 2.046896122548052
Energy: 1.8141894269028942
Energy: 2.047226142819164
Energy: 1.8141894269028942
Energy: 2.6050126847043664
Energy: 1.9236753205704429
Energy: 2.258135391365236
Energy: 1.9236753205704429

minimum gb energy = 1.7756336727134405 eV
minimum distance =  2.50492637396511 Angstroms
sigma value = 9


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

Energy: 2.133301679363764
Energy: 2.388951235019659
Energy: 3.635835135254015
Energy: 2.388951235019659
Energy: 2.4636890443716264
Energy: 2.0757629469965706
Energy: 2.307262194004992
Energy: 2.0757629469946797
Energy: 2.1774026770921613
Energy: 1.9696125685942922
Energy: 1.9655962486344662
Energy: 1.9696125685961827
Energy: 2.0835702780853205
Energy: 2.0100182690775887
Energy: 2.2317451090005944
Energy: 2.010018269078534
Energy: 2.307192407682275
Energy: 2.084208668745465
Energy: 2.4485436710444217
Energy: 2.0842086687501915
Energy: 2.6399646173133187
Energy: 2.0663362385031263
Energy: 2.1306560488121598
Energy: 2.066336238499346
Energy: 2.1566767547775076
Energy: 2.073907502891291
Energy: 2.5077349669822953
Energy: 2.0739075028931815
Energy: 2.014717629055508
Energy: 2.019023688900652
Energy: 2.1108897153941295
Energy: 2.019023688900652
Energy: 2.1576759597076727
Energy: 1.9674603018747827
Energy: 2.0877977522195743
Energy: 1.967460301875728
Energy: 2.0987713663354373
Energy: 2.051133524039518
Energy: 2.2029649075942612
Energy: 2.051133524042354
Energy: 1.9325044809524352
Energy: 2.0661013198820704
Energy: 2.602969805012201
Energy: 2.0661013198801794
Energy: 2.6053226880553937
Energy: 2.0907310534508596
Energy: 2.0636242504381537
Energy: 2.090731053449914
Energy: 2.1051557883045153
Energy: 1.9491415793477078
Energy: 1.9454273502051374
Energy: 1.9491415793458176
Energy: 2.181573290617276
Energy: 2.145379856398789
Energy: 2.182587019055395
Energy: 2.145379856399734
Energy: 2.2120235458470194
Energy: 2.018650560141012
Energy: 2.034021375016209
Energy: 2.018650560141957
Energy: 2.675509670036011
Energy: 1.945925203241434
Energy: 1.9471132595513347
Energy: 1.945925203237653
Energy: 2.1552072188205393
Energy: 2.0579951178581917
Energy: 2.714300048691018
Energy: 2.057995117860082
Energy: 1.9371972992038942
Energy: 2.0615203830079354
Energy: 2.2012701239003776
Energy: 2.061520383014552
Energy: 2.6079263391518026
Energy: 2.098045392163218
Energy: 2.1949087142296095
Energy: 2.0980453921641633
Energy: 2.03784059529302
Energy: 1.9791300632808178
Energy: 2.09135765649166
Energy: 1.979130063276091
Energy: 1.977547060792753
Energy: 2.018050050626234
Energy: 2.5170272034641425
Energy: 2.0180500506233985
Energy: 2.4729353376013976
Energy: 2.051135023904794
Energy: 2.08206101532368
Energy: 2.051135023904794
Energy: 2.3588475003685816
Energy: 2.0650882559298065
Energy: 2.0835129165139477
Energy: 2.0650882559288615
Energy: 2.204063240479686
Energy: 2.0895544676850784
Energy: 2.6004339129202934
Energy: 2.089554467682243
Energy: 2.052263068351662
Energy: 2.01811960084481
Energy: 1.9993640423484167
Energy: 2.0181196008438644
Energy: 2.3772902115442736
Energy: 2.0698490093159627
Energy: 2.026239307442384
Energy: 2.0698490093150173
Energy: 2.426849019152939
Energy: 2.0537151198035697
Energy: 2.519820594244966
Energy: 2.0537151197988432
Energy: 2.08725242890993
Energy: 2.051525565764659
Energy: 2.5200183478176474
Energy: 2.05152556576844
Energy: 2.479816978725894
Energy: 2.0701424532160924
Energy: 2.043227129425818
Energy: 2.0701424532151473
Energy: 2.0527636248890975
Energy: 2.1094045587054704
Energy: 1.9994867437659287
Energy: 2.1094045587064154
Energy: 2.0408928116879475
Energy: 2.1010967582728997
Energy: 2.5247280511202774
Energy: 2.1010967582710096
Energy: 2.3587288166965767
Energy: 2.0515090137002026
Energy: 2.0872720419159214
Energy: 2.051509013701148
Energy: 2.6712804071868947
Energy: 2.052753132000604
Energy: 2.0821071909100457
Energy: 2.052753131999659
Energy: 1.9773322796718924
Energy: 2.0185060380925677
Energy: 2.5164759001419887
Energy: 2.018506038091622
Energy: 1.988966516090998
Energy: 2.0888027565789513
Energy: 2.086029944950697
Energy: 2.088802756577061

minimum gb energy = 1.9325044809524352 eV
minimum distance =  2.47038344351661 Angstroms
sigma value = 73


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

Energy: 2.258042560609989
Energy: 2.117783711710595
Energy: 3.8253325085824446
Energy: 2.117783711709096
Energy: 2.16968849371379
Energy: 2.1838551044208225
Energy: 2.345676458896262
Energy: 2.1838551044208225
Energy: 2.148992022840327
Energy: 2.125368300484859
Energy: 2.1037005234640738
Energy: 2.125368300484859
Energy: 2.052609096246364
Energy: 1.9694199104178702
Energy: 2.2701645709826908
Energy: 1.9694199104178702
Energy: 2.3394474947026405
Energy: 1.9696435938074135
Energy: 2.2119258821565975
Energy: 1.9696435938059136
Energy: 2.793866864621256
Energy: 2.111745794285273
Energy: 1.9310959721212673
Energy: 2.1117457942837734
Energy: 2.1054839036876536
Energy: 2.085590111035908
Energy: 2.2868387692295085
Energy: 2.085590111035908
Energy: 1.9706252860994906
Energy: 1.9694982385991762
Energy: 2.1917451044125635
Energy: 1.9694982385991762
Energy: 2.370179628519375
Energy: 2.125596998728111
Energy: 2.265757416925844
Energy: 2.1255969987296113
Energy: 2.105583636872749
Energy: 2.124158618728897
Energy: 2.3099596263747135
Energy: 2.124158618730397
Energy: 1.9694595569568865
Energy: 1.969329933980916
Energy: 2.7978478005921184
Energy: 1.9693299339794164
Energy: 2.4759630737369624
Energy: 2.0928512608090464
Energy: 2.2118005609991562
Energy: 2.092851260810546
Energy: 2.339241129652419
Energy: 2.1102335624767754
Energy: 1.9301735856540994
Energy: 2.1102335624782746
Energy: 2.1553521117883636
Energy: 2.2458992717147557
Energy: 2.7443125640876516
Energy: 2.2458992717147557
Energy: 2.052485095772481
Energy: 1.969976286644119
Energy: 2.1597613204773474
Energy: 1.969976286644119
Energy: 2.4967259895930076
Energy: 2.125177947096133
Energy: 2.044137195153706
Energy: 2.1251779470946333
Energy: 2.1700158108296352
Energy: 2.113937207328799
Energy: 2.6118219853564635
Energy: 2.113937207328799
Energy: 2.1698436229483358
Energy: 2.121286374491248
Energy: 2.611836335323819
Energy: 2.121286374489748
Energy: 2.4363256380947025
Energy: 2.1252776856029016
Energy: 2.2698226421186907
Energy: 2.1252776856029016
Energy: 2.11456472582358
Energy: 2.1006810121885136
Energy: 2.0449254786452156
Energy: 2.1006810121885136
Energy: 2.1490302958674437
Energy: 2.1641272200033783
Energy: 2.7448741290240366
Energy: 2.1641272200018786
Energy: 2.3388240976046064
Energy: 2.092558677642813
Energy: 1.9299275942422023
Energy: 2.092558677642813

minimum gb energy = 1.9299275942422023 eV
minimum distance =  2.43046543232393 Angstroms
sigma value = 7


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

Energy: 2.415042139240258
Energy: 2.1456097282802857
Energy: 3.773104074409683
Energy: 2.1456097282781648
Energy: 2.2676791771588434
Energy: 2.0911725877138636
Energy: 2.173199956317378
Energy: 2.091172587712803
Energy: 2.1845813428202967
Energy: 2.0301743428281185
Energy: 2.0313942627086155
Energy: 2.0301743428281185
Energy: 2.186823827900947
Energy: 1.930959521476884
Energy: 2.0310063800162266
Energy: 1.9309595214758235
Energy: 2.2488106984977336
Energy: 2.0304625647740253
Energy: 1.930038308416357
Energy: 2.030462564772965
Energy: 2.806533581865015
Energy: 1.930623578481474
Energy: 1.932508760206132
Energy: 1.9306235784804133
Energy: 2.0908033461971085
Energy: 2.2744023381077683
Energy: 2.4495086882790034
Energy: 2.2744023381088287
Energy: 1.9323875586337256
Energy: 1.93035873843118
Energy: 2.247315074387306
Energy: 1.930358738432192
Energy: 2.684867549333267
Energy: 2.032405741277527
Energy: 2.1110844925791588
Energy: 2.0324057412754066
Energy: 2.031226738686858
Energy: 1.9313272131275954
Energy: 2.107636572489042
Energy: 1.931327213128656
Energy: 2.0307857790051917
Energy: 2.0350347476870403
Energy: 2.4301380320474437
Energy: 2.0350347476859802
Energy: 2.917531210770107
Energy: 2.064591382631091
Energy: 2.2678062639816927
Energy: 2.064591382631091
Energy: 2.9251495096025675
Energy: 2.1452912295534823
Energy: 2.270479609221671
Energy: 2.1452912295534823
Energy: 2.1706942744842617
Energy: 2.1278265302559185
Energy: 2.657795592862397
Energy: 2.1278265302548585
Energy: 2.0304570028104223
Energy: 2.0643742973295978
Energy: 2.185124672046225
Energy: 2.0643742973285373
Energy: 2.6846571833045525
Energy: 2.4264610051660576
Energy: 2.184237270245471
Energy: 2.4264610051660576
Energy: 1.9295162663742733
Energy: 2.0640138710929894
Energy: 2.2471868402574047
Energy: 2.0640138710919294
Energy: 1.929766125090999
Energy: 2.1411626789860274
Energy: 2.4496342227504617
Energy: 2.1411626789860274
Energy: 2.9697170807665376
Energy: 1.9301680333913889
Energy: 1.9296163594261089
Energy: 1.9301680333913889
Energy: 2.248244336894865
Energy: 2.0310632997669753
Energy: 1.929479204486431
Energy: 2.031063299768036
Energy: 2.185378756008935
Energy: 2.184047452478982
Energy: 2.3142211016284246
Energy: 2.184047452480042
Energy: 2.18620105070649
Energy: 2.0320418121308164
Energy: 2.0363639745135296
Energy: 2.0320418121297563
Energy: 2.329488041990595
Energy: 2.163184146140177
Energy: 2.174085526552341
Energy: 2.163184146140177
Energy: 2.267043623430389
Energy: 2.149231536232577
Energy: 2.9090508951479164
Energy: 2.149231536231517
Energy: 2.2672969925609308
Energy: 2.0641356064864187
Energy: 2.318000654497643
Energy: 2.0641356064864187
Energy: 2.430058356700338
Energy: 2.032294358047823
Energy: 2.0369209006069107
Energy: 2.032294358047823
Energy: 2.1079513383556794
Energy: 1.9316524347671793
Energy: 2.0307478837279187
Energy: 1.9316524347671793
Energy: 2.2471532982501587
Energy: 2.0318422975935517
Energy: 2.363990754528799
Energy: 2.0318422975935517
Energy: 2.2469994995280795
Energy: 1.9325430835072197
Energy: 1.9325594300171713
Energy: 1.9325430835072197
Energy: 2.455309866330979
Energy: 2.2273537198591242
Energy: 2.4553283623575854
Energy: 2.2273537198601847
Energy: 1.9308666615591432
Energy: 1.9316534643501098
Energy: 2.246999499532321
Energy: 1.9316534643511707

minimum gb energy = 1.929479204486431 eV
minimum distance =  2.55647231186224 Angstroms
sigma value = 29


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

Energy: 1.752905952103629
Energy: 2.128101663237352
Energy: 3.8207555174046632
Energy: 2.1281016632377217
Energy: 2.56606166076547
Energy: 1.875223927092071
Energy: 1.9463586120640464
Energy: 1.8752239270917015
Energy: 2.6512157281639754
Energy: 1.870169273628223
Energy: 1.871088993704249
Energy: 1.870169273628223
Energy: 2.610231297369974
Energy: 2.0269640006433822
Energy: 1.8696266496708431
Energy: 2.0269640006433822
Energy: 2.5087583449296504
Energy: 2.0265089683603965
Energy: 1.8693197884953425
Energy: 2.026508968360766
Energy: 2.6517435600551944
Energy: 1.870271047661517
Energy: 1.8693297644057252
Energy: 1.8702710476618862
Energy: 2.4715538333226115
Energy: 2.026323802387227
Energy: 3.120275876061258
Energy: 2.026323802386488
Energy: 1.7525126748327802
Energy: 2.1285001871310745
Energy: 3.109676852891865
Energy: 2.128500187131444
Energy: 2.563680129156765
Energy: 2.2607664009137647
Energy: 2.1188333303577576
Energy: 2.2607664009126567

minimum gb energy = 1.7525126748327802 eV
minimum distance =  2.42939914420507 Angstroms
sigma value = 5


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

Energy: 2.369085608424043
Energy: 2.159133909092265
Energy: 3.24767675456458
Energy: 2.1591339090932666
Energy: 2.6258553882197773
Energy: 2.153227367197566
Energy: 2.267714388588961
Energy: 2.153227367197566
Energy: 2.0450196822825224
Energy: 2.07446093043745
Energy: 2.124936925272392
Energy: 2.0744609304394537
Energy: 2.044967514571135
Energy: 2.027836224268914
Energy: 2.3246436173966782
Energy: 2.0278362242659083
Energy: 1.9392292790055898
Energy: 2.0193703591757304
Energy: 1.999806077445312
Energy: 2.0193703591727257
Energy: 2.1841471423013834
Energy: 2.092528348545849
Energy: 1.999869242270002
Energy: 2.092528348547852
Energy: 2.193588527876111
Energy: 2.0077278803910676
Energy: 2.3430338756690943
Energy: 2.0077278803930714
Energy: 2.1946585294316168
Energy: 2.0448156202840813
Energy: 2.375725176594254
Energy: 2.044815620287087
Energy: 2.707640838619078
Energy: 1.9717465462720118
Energy: 2.18829099818825
Energy: 1.9717465462730135
Energy: 2.506716964679996
Energy: 1.971718298030619
Energy: 2.1897417082425736
Energy: 1.9717182980296173
Energy: 2.0787515391390508
Energy: 2.0582983019614742
Energy: 2.11248655909725
Energy: 2.0582983019585144
Energy: 2.074556532132986
Energy: 2.0590815732800887
Energy: 1.9825196890448769
Energy: 2.059081573282092
Energy: 2.3473752073555487
Energy: 2.389693852613993
Energy: 1.9852679763219514
Energy: 2.389693852610988
Energy: 1.9894909101839866
Energy: 2.0268410619384887
Energy: 1.9833016161214212
Energy: 2.0268410619384887
Energy: 2.2203590239384265
Energy: 2.4153313481824483
Energy: 2.449300643748481
Energy: 2.41533134818345
Energy: 2.6748480127077174
Energy: 2.149592222139261
Energy: 2.33869902353329
Energy: 2.1495922221412647
Energy: 2.4735443514491164
Energy: 2.100268048069147
Energy: 2.406186397273654
Energy: 2.1002680480651406
Energy: 2.1038532577432014
Energy: 2.0635196398525513
Energy: 2.3757658129694006
Energy: 2.0635196398535527
Energy: 2.195470744667022
Energy: 1.9885640888734015
Energy: 2.1169550771655317
Energy: 1.9885640888703966
Energy: 2.044416561585076
Energy: 2.0726732330333304
Energy: 2.0005481461705164
Energy: 2.0726732330383397
Energy: 2.044228737963882
Energy: 2.027223032685083
Energy: 2.116612943129962
Energy: 2.027223032685083
Energy: 2.277982016699434
Energy: 2.0196012513521517
Energy: 2.061328807943341
Energy: 2.0196012513521517
Energy: 2.0448427173638257
Energy: 2.085646611761962
Energy: 2.0523690951735216
Energy: 2.0856466117649677
Energy: 2.35646916952772
Energy: 1.9784372839012836
Energy: 2.7321896948123587
Energy: 1.9784372838992803
Energy: 2.3548456003812754
Energy: 1.9775885984291204
Energy: 2.691003226460923
Energy: 1.9775885984291204
Energy: 2.405929622606766
Energy: 2.0195452944912615
Energy: 2.061354744505296
Energy: 2.0195452944902597
Energy: 2.0520119344366563
Energy: 2.0211908983766405
Energy: 2.0520888454279134
Energy: 2.0211908983786437
Energy: 2.135925516071212
Energy: 2.198745448105502
Energy: 2.4115270729290406
Energy: 2.198745448107506
Energy: 2.0439612635039994
Energy: 2.0580214598046425
Energy: 2.0008044890544125
Energy: 2.0580214598006354
Energy: 2.4325370605247207
Energy: 2.2771317820717503
Energy: 2.2389454180021597
Energy: 2.277131782069747
Energy: 2.282408058503758
Energy: 2.0656676216436276
Energy: 2.2686143612316703
Energy: 2.065667621645631
Energy: 2.25621810823234
Energy: 1.9537699014709864
Energy: 2.5887876438638338
Energy: 1.953769901468983
Energy: 2.742858665730353
Energy: 2.1512265811463633
Energy: 2.262133969020139
Energy: 2.1512265811443596

minimum gb energy = 1.9392292790055898 eV
minimum distance =  2.43208148259007 Angstroms
sigma value = 1


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

Energy: 2.143598775457413
Energy: 1.941550299830242
Energy: 3.3591624657504853
Energy: 1.941550299830242
Energy: 2.086974887714378
Energy: 2.109926443655747
Energy: 2.052500954640611
Energy: 2.109926443655747
Energy: 2.225874010409332
Energy: 1.9812754042479908
Energy: 2.273526041846089
Energy: 1.9812754042479908
Energy: 2.0504653119955605
Energy: 1.9892567749882828
Energy: 2.1131091111705684
Energy: 1.9892567749868977
Energy: 1.9237799505929725
Energy: 1.9968821516146307
Energy: 1.922304669732944
Energy: 1.9968821516146307
Energy: 1.9240307664639316
Energy: 1.9229689062017223
Energy: 1.922711082326858
Energy: 1.9229689062031075
Energy: 2.107226772865819
Energy: 1.9821087927676424
Energy: 2.229289412786521
Energy: 1.9821087927676424
Energy: 2.107795230292657
Energy: 1.9949987688050543
Energy: 2.22738319762316
Energy: 1.9949987688064397
Energy: 2.4132264834874464
Energy: 1.9968607049085318
Energy: 2.0267032075483837
Energy: 1.9968607049085318
Energy: 2.4132264834874464
Energy: 1.9967762559191562
Energy: 2.0265323573375618
Energy: 1.9967762559191562
Energy: 2.1077581157579726
Energy: 1.99493063343799
Energy: 2.22738319762316
Energy: 1.99493063343799
Energy: 2.1072362607434
Energy: 1.9818713988630108
Energy: 2.229289412786521
Energy: 1.9818713988630108
Energy: 1.9237251415388874
Energy: 1.922969524419863
Energy: 1.922753620250126
Energy: 1.922969524419863
Energy: 1.9237793826305072
Energy: 1.9969201584560874
Energy: 1.9224306167491376
Energy: 1.9969201584560874
Energy: 2.05063780598079
Energy: 1.989460557094088
Energy: 2.1131242677854716
Energy: 1.989460557094088
Energy: 2.225874010409332
Energy: 1.9810863625542707
Energy: 2.2735521785180626
Energy: 1.981086362555656
Energy: 2.086940575422064
Energy: 2.110052765595839
Energy: 2.0524010389782537
Energy: 2.110052765595839
Energy: 2.143598775457413
Energy: 1.941550299830242
Energy: 3.3591624657504853
Energy: 1.941550299830242
Energy: 2.086974887712993
Energy: 2.109926443655747
Energy: 2.052500954641996
Energy: 2.109926443655747
Energy: 2.225874010410717
Energy: 1.9812754042493756
Energy: 2.273526041846089
Energy: 1.9812754042479908
Energy: 2.0504653119941754
Energy: 1.9892567749882828
Energy: 2.1131091111705684
Energy: 1.9892567749882828
Energy: 1.9237799505929725
Energy: 1.9968821516146307
Energy: 1.922304669732944
Energy: 1.9968821516146307
Energy: 1.9240307664639316
Energy: 1.9229689062031075
Energy: 1.922711082326858
Energy: 1.9229689062031075
Energy: 2.107226772865819
Energy: 1.9821087927676424
Energy: 2.229289412786521
Energy: 1.9821087927676424

minimum gb energy = 1.922304669732944 eV
minimum distance =  2.4494344874941 Angstroms
sigma value = 17


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

Energy: 2.419347132513832
Energy: 2.060580602273991
Energy: 3.0560498504340194
Energy: 2.060580602272279
Energy: 2.4373980805942628
Energy: 2.1752089263395336
Energy: 2.3115879107721287
Energy: 2.1752089263378216
Energy: 2.0106456091460347
Energy: 1.9789568588676318
Energy: 2.148101340993565
Energy: 1.9789568588736244
Energy: 2.0858114791053475
Energy: 1.9714440036987146
Energy: 2.3096810883659127
Energy: 1.9714440037021388
Energy: 2.051740788508633
Energy: 1.9689598959890804
Energy: 2.0425574093692695
Energy: 1.968959895985656
Energy: 2.1760678176519677
Energy: 2.0507366851752074
Energy: 2.0801330424723665
Energy: 2.050736685177776
Energy: 2.0598128862498704
Energy: 1.976759727716586
Energy: 1.9701607517771127
Energy: 1.9767597277131617
Energy: 2.0612675977788206
Energy: 1.9765141182737398
Energy: 2.0269613114127125
Energy: 1.976514118276308
Energy: 2.3992846921912157
Energy: 1.9592151924204684
Energy: 2.2684893976460305
Energy: 1.9592151924153318
Energy: 2.482458037304255
Energy: 1.959076659806174
Energy: 2.264273107545194
Energy: 1.9590766598036058
Energy: 2.1219547900750237
Energy: 1.9538820406656576
Energy: 2.304824841357885
Energy: 1.9538820406630895
Energy: 2.1215730918954154
Energy: 1.954033696030539
Energy: 2.319121695696811
Energy: 1.9540336960279703
Energy: 2.0799900355259346
Energy: 2.0028001573706264
Energy: 2.0788279293053193
Energy: 2.002800157373195
Energy: 1.983029809616373
Energy: 1.9692640555801897
Energy: 2.066113439843945
Energy: 1.9692640555784775
Energy: 1.9838954488795633
Energy: 2.010632778582343
Energy: 2.084754381869575
Energy: 2.010632778581487
Energy: 1.9835864387393698
Energy: 1.977552449928641
Energy: 2.0321252947399313
Energy: 1.977552449928641
Energy: 2.274645337145784
Energy: 1.9449570517833707
Energy: 2.1776297919998395
Energy: 1.9449570517808024
Energy: 2.1327088401054803
Energy: 1.9853234855414272
Energy: 2.355956570404219
Energy: 1.9853234855380029
Energy: 2.289885336529672
Energy: 2.0303371202945404
Energy: 2.3295745040029976
Energy: 2.0303371202919718
Energy: 2.5970762463890638
Energy: 2.0437706405957052
Energy: 2.3045349384386373
Energy: 2.0437706405965614
Energy: 2.202408075568164
Energy: 2.1505384235691736
Energy: 2.407318012464597
Energy: 2.1505384235708855
Energy: 2.1126968537351885
Energy: 1.9696317383478665
Energy: 2.0125412068610418
Energy: 1.9696317383470103
Energy: 2.250348697736658
Energy: 2.219913552618702
Energy: 2.1612444929326053
Energy: 2.219913552617846
Energy: 2.0069420264004525
Energy: 1.9777065526828614
Energy: 1.9759124551803124
Energy: 1.9777065526794373
Energy: 2.0707539108078485
Energy: 2.0106342760450135
Energy: 2.3564864250744306
Energy: 2.0106342760441582
Energy: 2.012699177429705
Energy: 1.98164597968334
Energy: 2.053906996307627
Energy: 1.9816459796876207
Energy: 2.3868724801297687
Energy: 1.9705370635474369
Energy: 2.128236407406253
Energy: 1.9705370635465809
Energy: 2.3877591881467626
Energy: 1.9363284265936778
Energy: 2.6342150612520028
Energy: 1.9363284265911096
Energy: 2.382101674703001
Energy: 1.9365714860997503
Energy: 2.6415137620129534
Energy: 1.9365714861040306
Energy: 2.011046530581063
Energy: 1.9816523962874057
Energy: 2.0539386275528297
Energy: 1.9816523962848376
Energy: 2.015631997652907
Energy: 1.9709410753827517
Energy: 2.128085793227089
Energy: 1.9709410753793273
Energy: 2.041423277294544
Energy: 1.9972568396216333
Energy: 2.072510045365475
Energy: 1.9972568396259136
Energy: 2.0403061898003263
Energy: 1.9792805998090799
Energy: 1.9536559090554626
Energy: 1.9792805998116483
Energy: 2.2175094589203495
Energy: 1.9749758490320888
Energy: 2.0124878631469985
Energy: 1.9749758490329448
Energy: 2.0904899547957627
Energy: 1.972243669061711
Energy: 2.0262052066554284
Energy: 1.9722436690685594
Energy: 2.3396673692655034
Energy: 1.9334916950115082
Energy: 2.3370275522422768
Energy: 1.9334916950132204
Energy: 2.6413936613035944
Energy: 2.0444087164145035
Energy: 2.2243944185735884
Energy: 2.0444087164196403
Energy: 2.2957134090742164
Energy: 2.029127729931583
Energy: 2.4072105384728535
Energy: 2.029127729931583

minimum gb energy = 1.9334916950115082 eV
minimum distance =  2.45594618684348 Angstroms
sigma value = 89


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

Energy: 2.167933244200946
Energy: 1.8733904629868152
Energy: 3.0641541519844733
Energy: 1.8733904629868152
Energy: 2.166881540782824
Energy: 2.0393955815094174
Energy: 2.1996273790264955
Energy: 2.0393955815094174
Energy: 2.146768274064766
Energy: 1.8552882151070367
Energy: 1.9824004496115606
Energy: 1.8552882151070367
Energy: 2.011980770303566
Energy: 1.9161002212496399
Energy: 2.2496650876551434
Energy: 1.9161002212496399
Energy: 2.0706512687599368
Energy: 1.8881361661541904
Energy: 1.9305054096271248
Energy: 1.8881361661541904
Energy: 1.9795900812734928
Energy: 2.1222153231252707
Energy: 2.09432010695158
Energy: 2.122215323127511
Energy: 1.9789583108678417
Energy: 1.8555470068930429
Energy: 1.932416488308749
Energy: 1.8555470068930429
Energy: 1.9790173635253951
Energy: 1.8887924274474033
Energy: 2.2084567337642986
Energy: 1.8887924274474033
Energy: 2.149510483714984
Energy: 1.8885890435122603
Energy: 1.951672569859067
Energy: 1.8885890435122603
Energy: 2.3495847231862954
Energy: 1.888573166490728
Energy: 1.9522779998487831
Energy: 1.8885731664929681
Energy: 2.106640517473911
Energy: 1.8558538595365464
Energy: 2.207810483579937
Energy: 1.8558538595365464
Energy: 2.1070454509735415
Energy: 1.8558091787600361
Energy: 2.2097296802787003
Energy: 1.8558091787600361
Energy: 2.1472071042043877
Energy: 1.888439614551574
Energy: 1.9515352357956437
Energy: 1.888439614551574
Energy: 2.1465357998572947
Energy: 1.888762517044128
Energy: 1.9521852329682543
Energy: 1.888762517044128
Energy: 1.9797657124211792
Energy: 1.888527895473006
Energy: 2.054150623970144
Energy: 1.888527895470766

minimum gb energy = 1.8552882151070367 eV
minimum distance =  2.45609297297485 Angstroms
sigma value = 13


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

Energy: 2.1480552305291014
Energy: 1.9479905635520753
Energy: 2.782640410184593
Energy: 1.94799056354832
Energy: 2.2733295763870953
Energy: 1.9106246151044137
Energy: 2.001220598165713
Energy: 1.9106246151025785
Energy: 2.0223305545688124
Energy: 1.7793953686414754
Energy: 2.0441060245738742
Energy: 1.7793953686386588
Energy: 2.0524352256502727
Energy: 1.884836208060744
Energy: 2.006338527745362
Energy: 1.8848362080588665
Energy: 1.893134800870982
Energy: 1.7814898058030346
Energy: 1.9863414505146277
Energy: 1.7814898058030346
Energy: 2.128516840716241
Energy: 1.7777789249249418
Energy: 2.0104327112231353
Energy: 1.7777789249268199
Energy: 1.9074629592975543
Energy: 1.737321224940853
Energy: 1.9141790221500636
Energy: 1.737321224939914
Energy: 1.9385023261260397
Energy: 1.820315782715352
Energy: 1.921920896830255
Energy: 1.820315782715352
Energy: 1.8729284815947165
Energy: 1.778921489237867
Energy: 1.9277089111487933
Energy: 1.7789214892350504
Energy: 2.1346157617451706
Energy: 1.7783833145327408
Energy: 2.029378454209899
Energy: 1.7783833145327408
Energy: 2.0038901369301167
Energy: 1.7752689096655119
Energy: 2.118685674237459
Energy: 1.775268909671145
Energy: 2.0005707520033824
Energy: 1.7746726895980065
Energy: 2.478980369168996
Energy: 1.774672689596129
Energy: 1.9415260274152253
Energy: 1.8139120557229624
Energy: 1.9532192214058401
Energy: 1.8139120557229624
Energy: 1.9997138685254638
Energy: 1.8235025307358845
Energy: 2.1586149941500827
Energy: 1.8235025307358845
Energy: 2.002758414028304
Energy: 1.7758888382556877
Energy: 2.161186391630098
Energy: 1.7758888382547486
Energy: 2.0002358644513336
Energy: 1.7754094237275517
Energy: 2.127075035182836
Energy: 1.7754094237247353
Energy: 1.9647447037265502
Energy: 1.7776397746471864
Energy: 1.9276034648989753
Energy: 1.7776397746453085
Energy: 1.96349410339206
Energy: 1.779640141980989
Energy: 2.0293626501340736
Energy: 1.7796401419781722
Energy: 1.907811978408841
Energy: 1.7358306184602055
Energy: 1.9058650508782984
Energy: 1.7358306184592667
Energy: 1.9057174205880485
Energy: 1.7365322208506981
Energy: 1.9077700814727458
Energy: 1.7365322208488205
Energy: 2.028885796181713
Energy: 1.7779797339789885
Energy: 2.016074616927871
Energy: 1.7779797339836825
Energy: 1.9062938739933106
Energy: 1.7770386093247368
Energy: 1.970375160491643
Energy: 1.7770386093200423
Energy: 2.01451814651145
Energy: 1.7910808933281448
Energy: 2.061977629747356
Energy: 1.7910808933281448
Energy: 2.021306055338697
Energy: 1.780828237555547
Energy: 2.0045788633324215
Energy: 1.780828237555547
Energy: 2.247021648992198
Energy: 1.89219947916513
Energy: 2.2422459220212265
Energy: 1.8921994791641914
Energy: 2.114819579141972
Energy: 1.8921415375068305
Energy: 2.136701638447407
Energy: 1.8921415375077693
Energy: 2.1168966257974318
Energy: 1.7738846352791726
Energy: 2.0621862389117265
Energy: 1.7738846352801114
Energy: 2.011309836719127
Energy: 1.7808780358942322
Energy: 2.009580801173941
Energy: 1.7808780358923546
Energy: 2.0294877529669417
Energy: 1.7779226641131116
Energy: 2.243119712646766
Energy: 1.7779226641140502
Energy: 1.9063843164250753
Energy: 1.7791532145979347
Energy: 1.8730229328170687
Energy: 1.7791532145988735
Energy: 1.955664864652639
Energy: 1.818018667438657
Energy: 1.9764219206735525
Energy: 1.8180186674349015
Energy: 1.9141680131052672
Energy: 1.7380805433215483
Energy: 1.9071406386879428
Energy: 1.7380805433196709
Energy: 1.9479699669211745
Energy: 1.7770627711608982
Energy: 2.080897672287311
Energy: 1.777062771161837
Energy: 1.9030604869301353
Energy: 1.7814347770213408
Energy: 1.8933357929264891
Energy: 1.781434777020402
Energy: 2.078128078054981
Energy: 1.9212103127605435
Energy: 2.025099872222349
Energy: 1.9212103127605435

minimum gb energy = 1.7358306184592667 eV
minimum distance =  2.46365450561752 Angstroms
sigma value = 37


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

Energy: 2.033615303397695
Energy: 1.7024616403165687
Energy: 2.692705069551162
Energy: 1.7024616403165687
Energy: 1.88183254433879
Energy: 1.7989698654117696
Energy: 1.9400254555024272
Energy: 1.7989698654117696
Energy: 1.954466084766569
Energy: 1.6362866439257064
Energy: 2.0099409499847307
Energy: 1.6362866439257064
Energy: 2.0012002635778527
Energy: 1.6955461256384865
Energy: 1.939836004675048
Energy: 1.6955461256401017
Energy: 1.834006812331002
Energy: 1.6333125798895114
Energy: 1.9559351693142715
Energy: 1.6333125798911268
Energy: 2.0190941439880357
Energy: 1.6575569907891332
Energy: 1.8791095276451566
Energy: 1.6575569907891332
Energy: 1.8152991507811234
Energy: 1.6340949261678852
Energy: 1.8992156137795653
Energy: 1.6340949261695004
Energy: 1.8975852743416584
Energy: 1.782798244532553
Energy: 1.942767660193038
Energy: 1.782798244532553
Energy: 1.8180838803318236
Energy: 1.6340530255349925
Energy: 1.865379638791998
Energy: 1.6340530255349925
Energy: 2.0286830399874414
Energy: 1.6583629574966081
Energy: 1.880184674821611
Energy: 1.6583629574982233
Energy: 1.8050737706873965
Energy: 1.6336852408030798
Energy: 1.956060328387898
Energy: 1.633685240804695
Energy: 1.805009224327687
Energy: 1.6585683450487894
Energy: 2.1133027623567715
Energy: 1.6585683450504045
Energy: 1.9544484528783284
Energy: 1.6297255486715472
Energy: 1.9197287966313936
Energy: 1.6297255486715472
Energy: 1.7893529729867481
Energy: 1.6340219457657397
Energy: 1.9001054700571711
Energy: 1.6340219457673553
Energy: 1.9379818727199571
Energy: 1.6983377450927608
Energy: 1.9564559349607575
Energy: 1.6983377450927608
Energy: 1.9053816076697756
Energy: 1.7496851181756654
Energy: 2.0271266282971814
Energy: 1.7496851181740503
Energy: 1.9547066259773245
Energy: 1.6294913802210054
Energy: 1.9205026500142386
Energy: 1.6294913802210054
Energy: 1.9946828920106432
Energy: 1.633881192292672
Energy: 1.9193359038379048
Energy: 1.633881192292672
Energy: 1.806578767606423
Energy: 1.6337085509004459
Energy: 1.9569195962395296
Energy: 1.6337085508988307
Energy: 1.8042721164541948
Energy: 1.6584477051116868
Energy: 1.9563343892443967
Energy: 1.6584477051133022

minimum gb energy = 1.6294913802210054 eV
minimum distance =  2.45397877566223 Angstroms
sigma value = 25


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

Energy: 1.9172233548279816
Energy: 1.554002854689831
Energy: 2.2989470243893475
Energy: 1.5540028546885698
Energy: 1.7175380672342244
Energy: 1.6347726345342577
Energy: 1.7751807820804337
Energy: 1.6347726345405644
Energy: 1.9860516556665495
Energy: 1.4965648993946377
Energy: 1.8716442419751909
Energy: 1.4965648993958987
Energy: 1.7759348097210397
Energy: 1.5211280948152845
Energy: 1.7761354315962978
Energy: 1.521128094812762
Energy: 1.7434478052025348
Energy: 1.466225460580045
Energy: 1.750914922709476
Energy: 1.466225460580045
Energy: 1.7757529556671645
Energy: 1.497177215193571
Energy: 1.8116869906121182
Energy: 1.497177215193571
Energy: 1.7185131456642355
Energy: 1.4642426293934485
Energy: 1.7359425262445427
Energy: 1.4642426293909259
Energy: 1.7366120377217789
Energy: 1.4756806023749667
Energy: 1.8491363102282334
Energy: 1.475680602373705
Energy: 1.6623825188011316
Energy: 1.4649103614418866
Energy: 1.6814362186690566
Energy: 1.4649103614406254
Energy: 1.780129702862257
Energy: 1.5360154867514182
Energy: 1.717082299670004
Energy: 1.5360154867526794
Energy: 1.6724759974512768
Energy: 1.4654333306426162
Energy: 1.693150420407309
Energy: 1.465433330641355
Energy: 1.7367886263992407
Energy: 1.4808170099612636
Energy: 1.806953977732097
Energy: 1.4808170099625246
Energy: 1.6749765893829403
Energy: 1.4648063353637482
Energy: 1.6932068034346295
Energy: 1.4648063353637482
Energy: 1.9004257209634963
Energy: 1.4762433823749048
Energy: 1.6924348307121986
Energy: 1.4762433823761658
Energy: 1.7148799956064689
Energy: 1.463308742557282
Energy: 1.74654180177036
Energy: 1.4633087425560205
Energy: 1.7519811691025788
Energy: 1.4613335226501039
Energy: 1.7756613459709019
Energy: 1.4613335226501039
Energy: 1.7614770476124904
Energy: 1.4938617758995745
Energy: 1.789382608453048
Energy: 1.4938617759008355
Energy: 1.6605440310098454
Energy: 1.6313018870245688
Energy: 1.7488823609373971
Energy: 1.63130188702583
Energy: 1.789578341863522
Energy: 1.5508915512931534
Energy: 1.7461993741212258
Energy: 1.5508915512893697
Energy: 1.7162649146730506
Energy: 1.5532843099276765
Energy: 1.7659770545155928
Energy: 1.5532843099276765
Energy: 1.7592764574830775
Energy: 1.4936882344288225
Energy: 1.7894266215615076
Energy: 1.4936882344300837
Energy: 1.7942037764561851
Energy: 1.5219415184226004
Energy: 1.7483735009322907
Energy: 1.521941518420078
Energy: 1.7148668656109887
Energy: 1.4634123070452965
Energy: 1.7466112131883462
Energy: 1.4634123070452965
Energy: 1.751665528338403
Energy: 1.4614784240734893
Energy: 1.8070600329053133
Energy: 1.4614784240709666
Energy: 1.7175205012238355
Energy: 1.4652145288422966
Energy: 1.6931928679086723
Energy: 1.465214528841035
Energy: 1.7574602192166824
Energy: 1.4769108696970072
Energy: 1.6914322931389427
Energy: 1.4769108696970072

minimum gb energy = 1.4613335226501039 eV
minimum distance =  2.45534892382009 Angstroms
sigma value = 41


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

Energy: 1.8916836785436582
Energy: 1.430457192532785
Energy: 2.1141259136140342
Energy: 1.4304571925338188
Energy: 1.5855075704178232
Energy: 1.471537916980158
Energy: 1.6354449669806783
Energy: 1.4715379169760217
Energy: 1.799834322977442
Energy: 1.3831683796579122
Energy: 1.7675927183098155
Energy: 1.383168379655844
Energy: 1.6323103456244286
Energy: 1.4189034630515494
Energy: 1.6354611647659354
Energy: 1.4189034630546515
Energy: 1.743626624873342
Energy: 1.3494145766483958
Energy: 1.6036321396565365
Energy: 1.34941457664943
Energy: 1.632331802636066
Energy: 1.38078033866279
Energy: 1.6513861563437835
Energy: 1.3807803387041522
Energy: 1.596550299038356
Energy: 1.3335703307898992
Energy: 1.643704057137239
Energy: 1.3335703307878308
Energy: 1.6723603592333232
Energy: 1.3732690942826384
Energy: 1.6510313719410723
Energy: 1.3732690942847068
Energy: 1.640900257351752
Energy: 1.3330533039925263
Energy: 1.5787118754667264
Energy: 1.33305330398839
Energy: 1.714340129911585
Energy: 1.4091452878105828
Energy: 1.6305450201108367
Energy: 1.4091452878147188
Energy: 1.5753081071214012
Energy: 1.3332150381179375
Energy: 1.571069908280733
Energy: 1.3332150381241417
Energy: 1.5946176584217813
Energy: 1.37577768499278
Energy: 1.6612794527217465
Energy: 1.37577768499278
Energy: 1.5934836254924531
Energy: 1.3335822625279021
Energy: 1.5690160010050203
Energy: 1.3335822625289362
Energy: 1.6680791975923812
Energy: 1.3440837507805068
Energy: 1.6327411221622845
Energy: 1.3440837507794727
Energy: 1.5990297835950245
Energy: 1.3327486745888204
Energy: 1.5602743425487264
Energy: 1.3327486745898545
Energy: 1.6039872857707123
Energy: 1.3397197466820907
Energy: 1.7528428068403723
Energy: 1.3397197466820907
Energy: 1.5957899227896484
Energy: 1.3322261345431317
Energy: 1.6136933412532617
Energy: 1.3322261345462338
Energy: 1.6323705932056611
Energy: 1.3346964824492369
Energy: 1.643167810467719
Energy: 1.3346964824502707
Energy: 1.6740138376639064
Energy: 1.3485070974736804
Energy: 1.6012974299401739
Energy: 1.348507097472646
Energy: 1.6399518856216502
Energy: 1.4815565692205581
Energy: 1.6393955936670785
Energy: 1.4815565692205581
Energy: 1.7969507565758194
Energy: 1.3813612190076465
Energy: 1.6620434801593114
Energy: 1.3813612190076465
Energy: 1.5848873454150987
Energy: 1.4368859305235957
Energy: 1.6368508345601622
Energy: 1.4368859305225619
Energy: 1.7877241724636506
Energy: 1.4252175470049415
Energy: 1.600483963848061
Energy: 1.4252175470080437
Energy: 1.615298713470156
Energy: 1.4530993470202158
Energy: 1.6390036560937784
Energy: 1.4530993470202158
Energy: 1.8090819327021586
Energy: 1.3832762493374449
Energy: 1.6630243389732273
Energy: 1.3832762493353767
Energy: 1.6325000954436508
Energy: 1.3858075679745314
Energy: 1.6356043956442157
Energy: 1.3858075679745314
Energy: 1.6738508165975101
Energy: 1.348568679416445
Energy: 1.5996787999114548
Energy: 1.3485686794174792
Energy: 1.6421073707923064
Energy: 1.3659744561361382
Energy: 1.6549961707797873
Energy: 1.3659744561392406
Energy: 1.5977321512957323
Energy: 1.3321527236540185
Energy: 1.6136567187045465
Energy: 1.3321527236560866
Energy: 1.668059007955664
Energy: 1.3325007557490256
Energy: 1.646461522026182
Energy: 1.3325007557490256
Energy: 1.599036437741643
Energy: 1.333033993037718
Energy: 1.5779781706918488
Energy: 1.3330339930356498
Energy: 1.6025441174006394
Energy: 1.3417394065181645
Energy: 1.675295226248274
Energy: 1.341739406522301

minimum gb energy = 1.3321527236540185 eV
minimum distance =  2.46375743580394 Angstroms
sigma value = 15


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

Energy: 1.7785505990532924
Energy: 1.326435420863906
Energy: 1.9764306696312839
Energy: 1.326435420863906
Energy: 1.4971703682779498
Energy: 1.4295232122794517
Energy: 1.5215671504168582
Energy: 1.4295232122838317
Energy: 1.6596050678789305
Energy: 1.2885694285125966
Energy: 1.7066941158670805
Energy: 1.2885694285134728
Energy: 1.5296111678425066
Energy: 1.3278476713257898
Energy: 1.5215348867818737
Energy: 1.3278476713275418
Energy: 1.6538971065843568
Energy: 1.2631854971191183
Energy: 1.4925797833248429
Energy: 1.2631854971199945
Energy: 1.5293955857102972
Energy: 1.2947885585798309
Energy: 1.5292059781897989
Energy: 1.294788558576327
Energy: 1.4801398181691297
Energy: 1.2380487414632246
Energy: 1.6055987922465174
Energy: 1.2380487414614725
Energy: 1.5503735215398717
Energy: 1.6605948817872933
Energy: 1.528233693485926
Energy: 1.6605948817855412
Energy: 1.559977822549732
Energy: 1.2293358289364307
Energy: 1.4756883687658557
Energy: 1.2293358289355547
Energy: 1.549638050756689
Energy: 1.2562650959003536
Energy: 1.5642008257923525
Energy: 1.2562650959021056
Energy: 1.4836302206249938
Energy: 1.2285802920864557
Energy: 1.5361271425011063
Energy: 1.2285802920838278
Energy: 1.572261550328463
Energy: 1.279047702918563
Energy: 1.606179588801739
Energy: 1.279047702915059
Energy: 1.4972370366995191
Energy: 1.228557384480312
Energy: 1.4698004848906598
Energy: 1.228557384486444
Energy: 1.57406695181488
Energy: 1.2571869619871126
Energy: 1.5035119915540651
Energy: 1.257186961991413
Energy: 1.4890863050964598
Energy: 1.2291998157629718
Energy: 1.5015765351783863
Energy: 1.229199815764724
Energy: 1.549832658651758
Energy: 1.2552402761885433
Energy: 1.5613576159875773
Energy: 1.2552402761850392
Energy: 1.4700095157892394
Energy: 1.228375125486637
Energy: 1.4884211248808146
Energy: 1.2283751254945212
Energy: 1.6409584741745475
Energy: 1.23418223523282
Energy: 1.5295445847872242
Energy: 1.2341822352319436
Energy: 1.522260548246564
Energy: 1.2285178520452191
Energy: 1.5074039957321324
Energy: 1.2285178520417148
Energy: 1.5521462122852172
Energy: 1.2547008668926583
Energy: 1.5314653247880854
Energy: 1.254700866890906
Energy: 1.4849561712038455
Energy: 1.237443707978827
Energy: 1.5332971621439098
Energy: 1.237443707979703
Energy: 1.5206098357077602
Energy: 1.3716570341454997
Energy: 1.5478579085628277
Energy: 1.3716570341454997
Energy: 1.5608510084629124
Energy: 1.2610805865202959
Energy: 1.5655905304255604
Energy: 1.261080586522924
Energy: 1.529357667408371
Energy: 1.392034346878826
Energy: 1.5218106287455873
Energy: 1.3920343468805783
Energy: 1.658472698201819
Energy: 1.2857830856412529
Energy: 1.5881908901016963
Energy: 1.2857830856412529
Energy: 1.483386058881541
Energy: 1.3522882157969478
Energy: 1.5458247450494336
Energy: 1.352288215796072
Energy: 1.6184010084937674
Energy: 1.3270420040175233
Energy: 1.4902216028387878
Energy: 1.3270420040148954
Energy: 1.4993825848688844
Energy: 1.3726599509732937
Energy: 1.5217213495370152
Energy: 1.3726599509689141
Energy: 1.6647853077163213
Energy: 1.2859092077383913
Energy: 1.588247978731382
Energy: 1.2859092077401433
Energy: 1.520288323189314
Energy: 1.3045259021632305
Energy: 1.5457914706382447
Energy: 1.3045259021623545
Energy: 1.5608512550106488
Energy: 1.2605936553227375
Energy: 1.4895881627044103
Energy: 1.2605936553306214
Energy: 1.5296928637161173
Energy: 1.2946020398445885
Energy: 1.5286997401033313
Energy: 1.2946020398498443
Energy: 1.4803965874372154
Energy: 1.2376047001484674
Energy: 1.533540092840147
Energy: 1.2376047001493433
Energy: 1.5435119424484636
Energy: 1.2505352253536037
Energy: 1.5474440323878407
Energy: 1.2505352253571074
Energy: 1.522332273664909
Energy: 1.2284074116264743
Energy: 1.4857424226194822
Energy: 1.2284074116229704
Energy: 1.5465081950867239
Energy: 1.257548297406365
Energy: 1.5610004295251956
Energy: 1.257548297411621
Energy: 1.478401587320926
Energy: 1.2284800066698232
Energy: 1.488496865747721
Energy: 1.2284800066671953

minimum gb energy = 1.228375125486637 eV
minimum distance =  2.46955719074728 Angstroms
sigma value = 85


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

Energy: 1.8689106166732377
Energy: 1.2632316173998348
Energy: 1.8484550554415793
Energy: 1.2632316173990752
Energy: 1.3914791777665263
Energy: 1.1953089298386954
Energy: 1.3985897540319665
Energy: 1.1953089298144177
Energy: 1.551830608202269
Energy: 1.2325934991094571
Energy: 1.712608583674099
Energy: 1.232593499107938
Energy: 1.4157631026947262
Energy: 1.2179580732198392
Energy: 1.3987031109546881
Energy: 1.2179580732205988
Energy: 1.6514234046477043
Energy: 1.1802020535519353
Energy: 1.467604190024309
Energy: 1.1802020535526951
Energy: 1.4155057510018585
Energy: 1.2877551298856997
Energy: 1.4348934769783583
Energy: 1.2877551298856997
Energy: 1.3875466184125833
Energy: 1.1663632129138986
Energy: 1.587197759579259
Energy: 1.1663632129116193
Energy: 1.434490459049845
Energy: 1.1617230810529446
Energy: 1.43489444819391
Energy: 1.1617230810529446
Energy: 1.5451520797406642
Energy: 1.13424071287138
Energy: 1.3955665243205213
Energy: 1.1342407128706204
Energy: 1.434825215096624
Energy: 1.1525729232333894
Energy: 1.4489351742104775
Energy: 1.1525729232356687
Energy: 1.3761806599379485
Energy: 1.1342104740899779
Energy: 1.493234840473629
Energy: 1.134210474089218
Energy: 1.4662805907365675
Energy: 1.1423374743815935
Energy: 1.4491552331758977
Energy: 1.1423374743808683
Energy: 1.4702438232586428
Energy: 1.134107289553384
Energy: 1.396141448449891
Energy: 1.1341072895518645
Energy: 1.466084967957032
Energy: 1.1706796966904676
Energy: 1.4832766176310241
Energy: 1.170679696689708
Energy: 1.3757842341258018
Energy: 1.1341677308838134
Energy: 1.430406445721576
Energy: 1.1341677308845732
Energy: 1.4280338196471176
Energy: 1.1572555751108733
Energy: 1.4817606005244304
Energy: 1.1572555751146723
Energy: 1.4268758236376349
Energy: 1.134360584974477
Energy: 1.4068198803906702
Energy: 1.1343605849767562
Energy: 1.4668830007457232
Energy: 1.1578252858359643
Energy: 1.4663086405461665
Energy: 1.1578252858344447
Energy: 1.4039629736091013
Energy: 1.1344032195889835
Energy: 1.4003485325086868
Energy: 1.1344032195882237
Energy: 1.4418125524957743
Energy: 1.1309931356753828
Energy: 1.5443428941492543
Energy: 1.1309931356776277
Energy: 1.4175709310154965
Energy: 1.1339176274702978
Energy: 1.442612367448241
Energy: 1.1339176274710574
Energy: 1.4351502396086273
Energy: 1.1432823854034038
Energy: 1.4702548763515784
Energy: 1.1432823854072025
Energy: 1.4475902645890686
Energy: 1.1334980534596673
Energy: 1.3904009478619155
Energy: 1.1334980534619465
Energy: 1.4505930387991441
Energy: 1.286580422909576
Energy: 1.414197392279514
Energy: 1.2865804229088165
Energy: 1.4378044573071544
Energy: 1.1658589389630438
Energy: 1.489762724393588
Energy: 1.165858938966083
Energy: 1.4154448767749856
Energy: 1.2771389753408677
Energy: 1.4350117166075753
Energy: 1.2771389753408677
Energy: 1.5196978315196625
Energy: 1.1790950607822361
Energy: 1.468096076671824
Energy: 1.1790950607822361
Energy: 1.4550342644795455
Energy: 1.2113902489597894
Energy: 1.363199566034423
Energy: 1.2113902489605493
Energy: 1.553121212416636
Energy: 1.231830238895874
Energy: 1.5238414140101586
Energy: 1.231830238895874
Energy: 1.3914631109831093
Energy: 1.265119532803898
Energy: 1.4004185980215618
Energy: 1.2651195328046578
Energy: 1.625560176527672
Energy: 1.2602081912273986
Energy: 1.394586738133637
Energy: 1.260208191226639
Energy: 1.5230778576584707
Energy: 1.252138372258392
Energy: 1.3640322707955927
Energy: 1.2521383722576322
Energy: 1.5517913119640505
Energy: 1.2317548355283903
Energy: 1.523873907318313
Energy: 1.2317548355268708
Energy: 1.4155701649659587
Energy: 1.2185366795918111
Energy: 1.399569619824471
Energy: 1.2185366795933306
Energy: 1.5196999326295577
Energy: 1.1793401234353946
Energy: 1.3945389663071495
Energy: 1.1793401234331156
Energy: 1.454839365556886
Energy: 1.1747030832712366
Energy: 1.4142428807465774
Energy: 1.174703083270477
Energy: 1.3864288374052864
Energy: 1.1655746536862666
Energy: 1.489732276295613
Energy: 1.1655746536855067
Energy: 1.434276794242296
Energy: 1.1620232753638335
Energy: 1.43537078464263
Energy: 1.162023275362314
Energy: 1.4475746578086117
Energy: 1.1337233808760196
Energy: 1.3904432101166653
Energy: 1.1337233808767795
Energy: 1.4505917631686511
Energy: 1.1350618829004522
Energy: 1.4516644549900894
Energy: 1.1350618828981731
Energy: 1.3763413226627872
Energy: 1.1336977020090968
Energy: 1.442716180977208
Energy: 1.1336977020068175
Energy: 1.467508346003486
Energy: 1.1421371716052329
Energy: 1.4491296572437649
Energy: 1.1421371716029536
Energy: 1.4039031096134356
Energy: 1.1215100609570856
Energy: 1.3981591326359997
Energy: 1.1215100609570856

minimum gb energy = 1.1215100609570856 eV
minimum distance =  2.47170298292702 Angstroms
sigma value = 113


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

Energy: 0.01962453658948305
Energy: 0.0201212866308624
Energy: 2.1178442502819927
Energy: 0.02012128663141401
Energy: 0.020471365318311157
Energy: 1.4254587276171657
Energy: 0.0204713653177271
Energy: 1.4254587276171657
Energy: 2.1178442502819927
Energy: 0.02012128663141401
Energy: 0.019624536588898994
Energy: 0.0201212866308624
Energy: 0.020471365318311157
Energy: 1.4254587276171657
Energy: 0.020471365318311157
Energy: 1.4254587276171657
Energy: 0.019624536588898994
Energy: 0.0201212866308624
Energy: 2.1178442502819927
Energy: 0.02012128663141401
Energy: 0.0204713653177271
Energy: 1.4254587276165818
Energy: 0.020471365318311157
Energy: 1.4254587276171657

minimum gb energy = 0.019624536588898994 eV
minimum distance =  2.6793152762448 Angstroms
sigma value = 1