Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pd__MO_993644691224_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890355831384662
cohesive_energy=3.9103031467506324
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43051797554434e-19, 2.88507150837648e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.094777500222939e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.25827817183374e-19, 6.26449461717366e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.9302164842559e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8665955040086594e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013021152988666936
Energy: 0.09754497902389904
Energy: 0.6635006014577431
Energy: 0.01390561280452171
Energy: 0.09754497902338755
Energy: 0.6801054877720619
Energy: 0.013905612803980137
Energy: 0.6801054877731452
Energy: 0.663500601459338
Energy: 0.013905612803980137
Energy: 0.013021152988666936
Energy: 0.09754497902389904
Energy: 0.01390561280452171
Energy: 0.6801054877731452
Energy: 0.0975449790244406
Energy: 0.6801054877720619

minimum gb energy = 0.013021152988666936 eV
minimum distance =  2.69015370773516 Angstroms
sigma value = 1


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

Energy: 1.2709547276526385
Energy: 0.894071669504825
Energy: 0.8957887503277187
Energy: 0.8276881859979427
Energy: 0.8477343678154989
Energy: 0.9013803820925631
Energy: 0.8391653245945867
Energy: 0.9013803820938767
Energy: 0.8954174632976095
Energy: 0.8951297798255751
Energy: 1.3846985610581586
Energy: 0.8951297798249183
Energy: 0.8419801173443302
Energy: 0.8412660984801001
Energy: 0.8389910760196854
Energy: 0.8412660984794433
Energy: 1.1789734906614548
Energy: 0.8398510439846937
Energy: 0.8424770241957031
Energy: 0.8398510439846937
Energy: 0.8779780749277417
Energy: 0.924493005399068
Energy: 0.8401458834257919
Energy: 0.9244930054003816
Energy: 0.8793936587669138
Energy: 0.8864173709678331
Energy: 0.8773316859586838
Energy: 0.8864173709671763
Energy: 0.8820046459631197
Energy: 0.9123582436734978
Energy: 0.9036660788045519
Energy: 0.9123582436721843
Energy: 0.8922447443916396
Energy: 0.9023134894955085
Energy: 0.8930128485293668
Energy: 0.9023134894955085
Energy: 0.9109816184141952
Energy: 0.9084734593994163
Energy: 0.8938684576350394
Energy: 0.9084734594000731
Energy: 0.8910498834568935
Energy: 0.901898502960236
Energy: 0.89294838040087
Energy: 0.901898502960236
Energy: 0.8793579518311118
Energy: 0.900133297338623
Energy: 0.9138288747842451
Energy: 0.900133297338623
Energy: 0.8990887877780249
Energy: 0.8858429959231743
Energy: 0.8547020624619002
Energy: 0.8858429959231743
Energy: 0.8774268484763977
Energy: 0.887499640335136
Energy: 0.8834959593145976
Energy: 0.8874996403357929
Energy: 0.8560708035538338
Energy: 0.8397761822184003
Energy: 0.8400989581742262
Energy: 0.8397761822184003
Energy: 0.8586827346608329
Energy: 0.8399997027379689
Energy: 0.8387633157178838
Energy: 0.8399997027379689
Energy: 0.894771191652244
Energy: 0.8941640458862912
Energy: 0.8235243175635193
Energy: 0.894164045886948
Energy: 0.8390715852418035
Energy: 0.8402267146011914
Energy: 0.854197557254053
Energy: 0.8402267146005346
Energy: 0.8402496319432996
Energy: 0.8951953696796751
Energy: 0.8944617574087458
Energy: 0.8951953696796751
Energy: 0.8770534081031331
Energy: 0.840025717668819
Energy: 0.8419265562197799
Energy: 0.8400257176694758
Energy: 0.8420320695137815
Energy: 0.8419004472304138
Energy: 0.8772367367413882
Energy: 0.8419004472291001
Energy: 0.8407956000830838
Energy: 0.8409829112317577
Energy: 0.8777062013279775
Energy: 0.8409829112324144
Energy: 0.8768762056652168
Energy: 0.8865354073808402
Energy: 0.8776152450295466
Energy: 0.886535407381497
Energy: 0.9037572707079048
Energy: 0.8874466050701905
Energy: 0.879321669779836
Energy: 0.8874466050701905
Energy: 0.893431151941505
Energy: 0.9024019640382077
Energy: 0.892334094158834
Energy: 0.9024019640375509
Energy: 0.8958271136757682
Energy: 0.8997152814750263
Energy: 0.9128561918967474
Energy: 0.8997152814743695
Energy: 0.8930250338454333
Energy: 0.9015799849774055
Energy: 0.8909054108628617
Energy: 0.9015799849767487
Energy: 0.9152912673162636
Energy: 0.9001757540078397
Energy: 0.8790225779054456
Energy: 0.9001757540078397
Energy: 0.8547508128884973
Energy: 0.8858360059235861
Energy: 0.8998148119846711
Energy: 0.8858360059235861
Energy: 0.8837652676227256
Energy: 0.8868081369291102
Energy: 0.8777504235053427
Energy: 0.8868081369277966
Energy: 0.8394494873339761
Energy: 0.8397570942438115
Energy: 0.8557758623788733
Energy: 0.8397570942444682
Energy: 0.8395578671401045
Energy: 0.8399354001338407
Energy: 0.8589903130633533
Energy: 0.8399354001358112
Energy: 0.8231098521832808
Energy: 0.8418052042993827
Energy: 0.8950882307130039
Energy: 0.8418052043098915

minimum gb energy = 0.8231098521832808 eV
minimum distance =  2.43661382329273 Angstroms
sigma value = 1


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

Energy: 1.4515827200152083
Energy: 0.9389708221408539
Energy: 0.9381675394902947
Energy: 0.8614496087428772
Energy: 0.8910371958925006
Energy: 0.9419834324730977
Energy: 0.8794546449757374
Energy: 0.9419834324775569
Energy: 0.9374262785551835
Energy: 0.9404230925260224
Energy: 0.879010834991708
Energy: 0.9404230925275202
Energy: 0.882565748138983
Energy: 0.8799477481574631
Energy: 0.8793623583979769
Energy: 0.8799477481612075
Energy: 0.8803910429109921
Energy: 0.8792686623235438
Energy: 0.8801491200204357
Energy: 0.8792686623212972
Energy: 0.9256689274303792
Energy: 0.9920479459720536
Energy: 0.8793662052178417
Energy: 0.9920479459728024
Energy: 0.9275361855941103
Energy: 0.9374886131929189
Energy: 0.9248746593984456
Energy: 0.93748861319217
Energy: 0.9274168926201198
Energy: 0.9405259700586052
Energy: 0.9639848651758344
Energy: 0.9405259700586052
Energy: 0.925973830880231
Energy: 0.9528122409286617
Energy: 0.9362240225862969
Energy: 0.9528122409309083
Energy: 0.9625094708809654
Energy: 0.9546798293517283
Energy: 0.9304369871463332
Energy: 0.9546798293517283
Energy: 0.9009010993155684
Energy: 0.936664874917802
Energy: 0.9288698138280783
Energy: 0.9366648749140577
Energy: 0.9013572873667572
Energy: 0.9385048500037626
Energy: 0.9262475478649311
Energy: 0.9385048500060093
Energy: 0.8806370338773388
Energy: 0.8791503951991739
Energy: 0.9007326391001661
Energy: 0.8791503951924342
Energy: 0.8788197083446615
Energy: 0.8791130446814319
Energy: 0.8580972002561081
Energy: 0.8791130446806831
Energy: 0.8570409407310627
Energy: 0.9394188565686843
Energy: 0.9402821798635755
Energy: 0.9394188565611954
Energy: 0.9010176151383569
Energy: 0.8794170283324553
Energy: 0.8791278564476951
Energy: 0.8794170283272132
Energy: 0.9397822357847966
Energy: 0.9390097970691587
Energy: 0.8785488541241141
Energy: 0.9390097970691587
Energy: 0.8822583990690963
Energy: 0.8794015869705603
Energy: 0.9247028682497973
Energy: 0.8794015869743046
Energy: 0.8788326358377148
Energy: 0.8831756145801638
Energy: 0.88326224346205
Energy: 0.8831756145801638
Energy: 0.9256114501020143
Energy: 0.8797095891733183
Energy: 0.8793160160359134
Energy: 0.8797095891703228
Energy: 0.9262813859586003
Energy: 0.9386834124445432
Energy: 0.9252194901872212
Energy: 0.9386834124407989
Energy: 0.9255624815334939
Energy: 0.9389107021477913
Energy: 0.9633741393231933
Energy: 0.9389107021492891
Energy: 0.9258334985666493
Energy: 0.9530868791935709
Energy: 0.9360253711116553
Energy: 0.9530868791898266
Energy: 0.9620088477816909
Energy: 0.9533213021805899
Energy: 0.9269802952846583
Energy: 0.9533213021798411
Energy: 0.9005462023885398
Energy: 0.9363359555978021
Energy: 0.9603878629254513
Energy: 0.9363359556000488
Energy: 0.9008772797430101
Energy: 0.9380575286095377
Energy: 0.9260053353316107
Energy: 0.9380575286102866
Energy: 0.8798123691263718
Energy: 0.8790194730338039
Energy: 0.9007238052384
Energy: 0.8790194730308085
Energy: 0.8789590263841169
Energy: 0.8793097061316563
Energy: 0.8573889014453302
Energy: 0.8793097061324051
Energy: 0.8571283891097737
Energy: 0.8820620215260886
Energy: 0.9407927340082809
Energy: 0.8820620215268374

minimum gb energy = 0.8570409407310627 eV
minimum distance =  2.4365111394378 Angstroms
sigma value = 25


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

Energy: 1.3853629562629806
Energy: 0.9863695791260054
Energy: 0.9877326368215193
Energy: 0.8976381850705478
Energy: 0.9429071855369766
Energy: 0.9838654599000698
Energy: 0.9244526728405019
Energy: 0.9838654599000698
Energy: 0.9861490537127209
Energy: 0.9872258448078948
Energy: 0.9239814661192194
Energy: 0.9872258448070241
Energy: 0.9285890090346189
Energy: 0.9246579651840179
Energy: 0.925343685029692
Energy: 0.9246579651831474
Energy: 0.9238080375523641
Energy: 0.9243422290584958
Energy: 0.9254149641232068
Energy: 0.9243422290584958
Energy: 0.976238625722342
Energy: 1.0315104169540144
Energy: 0.9243601906649362
Energy: 1.031510416954885
Energy: 0.9733977041545064
Energy: 1.0015495487921697
Energy: 0.9711130104377863
Energy: 1.0015495487921697
Energy: 0.9723485637883623
Energy: 1.0035037976150205
Energy: 1.0203985093070629
Energy: 1.0035037976150205
Energy: 0.97328290846405
Energy: 1.0006578637214623
Energy: 0.9569418215827166
Energy: 1.0006578637214623
Energy: 0.9730041436194554
Energy: 1.0016307388987302
Energy: 0.9247189464559711
Energy: 1.0016307388987302
Energy: 0.8914506908046906
Energy: 0.9241134173814738
Energy: 0.9233427461524856
Energy: 0.9241134173806032
Energy: 0.8914050635772436
Energy: 0.9241121230861784
Energy: 0.924558242970634
Energy: 0.9241121230861784
Energy: 0.9873546650745755
Energy: 0.9877004280366035
Energy: 0.8906670257875451
Energy: 0.9877004280374739
Energy: 0.9247753165153492
Energy: 0.9245134553640376
Energy: 0.9561563776806214
Energy: 0.9245134553657786
Energy: 0.9229970867980021
Energy: 0.9882437757854058
Energy: 0.989354777122425
Energy: 0.9882437757854058
Energy: 0.9280871902229283
Energy: 0.9244881596088084
Energy: 0.9279857840005435
Energy: 0.9244881596079378
Energy: 0.9240079408045261
Energy: 0.9276472080554112
Energy: 0.9232891911274179
Energy: 0.9276472080562816
Energy: 0.9244775465045787
Energy: 0.9242755597243676
Energy: 0.9752100556800718
Energy: 0.9242755597252381
Energy: 0.9710321609888187
Energy: 1.0038277643023743
Energy: 0.975707995560556
Energy: 1.0038277643015039
Energy: 0.9632482046326062
Energy: 1.0031729908474172
Energy: 0.9737808934974088
Energy: 1.0031729908456763
Energy: 0.9561984265635461
Energy: 1.0006840824210692
Energy: 0.9734622062165024
Energy: 1.0006840824219398
Energy: 0.9567032880213099
Energy: 1.0013978002996735
Energy: 0.9729075177729515
Energy: 1.001397800298803
Energy: 0.9227394884663441
Energy: 0.9240277686389397
Energy: 0.8915586645038974
Energy: 0.9240277686380691
Energy: 0.9243337004502504
Energy: 0.9242938415995222
Energy: 0.8912715483663298
Energy: 0.9242938416003927
Energy: 0.8907011913489881
Energy: 0.9274195317170456
Energy: 0.9888053487537282
Energy: 0.927419531716175

minimum gb energy = 0.8906670257875451 eV
minimum distance =  2.43248403376955 Angstroms
sigma value = 9


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

Energy: 1.2854616102241496
Energy: 1.0377190510850671
Energy: 1.0389676367666791
Energy: 0.9308026459920064
Energy: 1.0055914712210996
Energy: 1.0225855942318278
Energy: 0.9767693220623971
Energy: 1.022585594229751
Energy: 1.0381872620756327
Energy: 1.0385949736458553
Energy: 1.0540312616194478
Energy: 1.0385949736448166
Energy: 0.9749235710613258
Energy: 1.0226220284966165
Energy: 0.9766891302075408
Energy: 1.0226220284914243
Energy: 0.9746871309371815
Energy: 0.9769997729122226
Energy: 0.9763348211683317
Energy: 0.9769997729142996
Energy: 0.9758728590210611
Energy: 0.9778742303022213
Energy: 0.9782128915363992
Energy: 0.9778742302991296
Energy: 1.0237456546099668
Energy: 1.0820767691841655
Energy: 0.9784323650123811
Energy: 1.0820767691862425
Energy: 0.9776032346454488
Energy: 1.0812771241451635
Energy: 0.9771586322234488
Energy: 1.0812771241430865
Energy: 0.9750004626373124
Energy: 0.9770571414657043
Energy: 0.92139788841357
Energy: 0.9770571414636273
Energy: 0.9768146066211585
Energy: 0.9777270259868406
Energy: 0.920560101014781
Energy: 0.9777270259889175
Energy: 0.9203061356284465
Energy: 1.0395477825581678
Energy: 1.038654464730506
Energy: 1.0395477825592063
Energy: 1.0222602376381413
Energy: 0.9776118682278963
Energy: 0.9765272664165767
Energy: 0.9776118682289348
Energy: 1.037577374033964
Energy: 1.0379458232285943
Energy: 1.0538134822155232
Energy: 1.0379458232285943
Energy: 0.9734221197685692
Energy: 0.9765516862231625
Energy: 0.9720521843246082
Energy: 0.976551686222124
Energy: 0.9747779856166016
Energy: 0.9764517668946133
Energy: 0.979794548596919
Energy: 0.9764517668935749
Energy: 0.9763363575012067
Energy: 0.9776183200016526
Energy: 0.9787636910813244
Energy: 0.977618320000614
Energy: 1.022140562780671
Energy: 1.0818225382206046
Energy: 0.9777231953378259
Energy: 1.0818225382226818
Energy: 1.0213094969714305
Energy: 1.0814445064382974
Energy: 0.9767546476628511
Energy: 1.081444506437259
Energy: 0.9747680529632019
Energy: 0.9772516391283355
Energy: 0.9207434520420961
Energy: 0.9772516391283355
Energy: 0.9764028055540933
Energy: 0.9772897203971337
Energy: 0.9207640568679083
Energy: 0.9772897203971337
Energy: 0.9191637079312927
Energy: 0.9735218074180365
Energy: 1.0402286040337776
Energy: 0.973521807419075

minimum gb energy = 0.9191637079312927 eV
minimum distance =  2.45404488904493 Angstroms
sigma value = 25


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

Energy: 1.144531928512775
Energy: 1.0894493197993476
Energy: 1.0912813318215664
Energy: 0.9579181431566041
Energy: 0.9762659962708489
Energy: 1.0235423610648704
Energy: 0.9756602781869514
Energy: 1.0235423610648704
Energy: 1.0900295077151858
Energy: 1.0899635647039214
Energy: 1.0857975220553755
Energy: 1.0899635647039214
Energy: 0.9520532735672443
Energy: 1.0244986372593456
Energy: 0.9755071406936197
Energy: 1.0244986372606302
Energy: 0.9729351353758443
Energy: 1.0604203124697702
Energy: 0.9759962583779282
Energy: 1.0604203124697702
Energy: 0.9505073016276756
Energy: 1.0631553101903748
Energy: 0.9745542611414876
Energy: 1.063155310169826
Energy: 0.9458276929630653
Energy: 1.0604507310476956
Energy: 0.9760936035224382
Energy: 1.0604507310489801
Energy: 0.9459581673891249
Energy: 0.9792105415336549
Energy: 0.979474900087601
Energy: 0.9792105288605161
Energy: 1.0911352913517276
Energy: 1.0912435454170655
Energy: 1.2311749920191812
Energy: 1.0912435454170655
Energy: 1.0923683570784215
Energy: 1.0619029412068297
Energy: 0.9472413992733962
Energy: 1.0619029412068297
Energy: 1.0857275016095842
Energy: 1.0902087482906855
Energy: 1.0899544161559174
Energy: 1.0902087482919698
Energy: 1.0879653402943807
Energy: 1.0253065553368956
Energy: 1.093116983991681
Energy: 1.0253065553368956
Energy: 0.97545952597466
Energy: 1.0751024237509126
Energy: 0.9726903985523103
Energy: 1.0751024237509126
Energy: 0.9768480668437886
Energy: 1.0623156592269314
Energy: 0.9524945134794385
Energy: 1.0623156592269314
Energy: 0.976202500919073
Energy: 1.0618054155050887
Energy: 0.9459275888901718
Energy: 1.0618054155050887
Energy: 0.9755223501481859
Energy: 1.0599812728538425
Energy: 0.9460722884028282
Energy: 1.0599812728525586
Energy: 1.2177061241263283
Energy: 0.9516513011360397
Energy: 1.0928419398420126
Energy: 0.951651301133471

minimum gb energy = 0.9458276929630653 eV
minimum distance =  2.51118107869014 Angstroms
sigma value = 17


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

Energy: 1.580280974159486
Energy: 1.1958807546449886
Energy: 1.1979280638703935
Energy: 1.1172490733948595
Energy: 1.0061301457581873
Energy: 1.0486378167509156
Energy: 1.140775293330498
Energy: 1.0486378167516432
Energy: 1.0424480220254306
Energy: 1.0411667239807751
Energy: 1.1093720018364326
Energy: 1.0411667239807751
Energy: 1.0412383943901184
Energy: 1.092011572986574
Energy: 1.0455337208766529
Energy: 1.092011572986574
Energy: 1.0436726399021239
Energy: 1.1340229251960428
Energy: 0.9753566550907103
Energy: 1.13402292519677
Energy: 1.0475217386724345
Energy: 1.0946609018529176
Energy: 1.0420703057063203
Energy: 1.0946609018434617
Energy: 1.1032966480346336
Energy: 1.0415322843567745
Energy: 1.041118002348764
Energy: 1.0415322843582293
Energy: 1.2083469225658225
Energy: 1.0461396815841488
Energy: 1.0022467299782485
Energy: 1.0461396815826942
Energy: 1.1979876778473295
Energy: 1.1967022094461437
Energy: 1.1953246346347377
Energy: 1.1967022094454165
Energy: 1.2024054445142265
Energy: 1.1096152548527844
Energy: 1.0482355821378933
Energy: 1.1096152548535116
Energy: 1.0412609332887444
Energy: 1.0291683306381296
Energy: 0.9958900177634168
Energy: 1.0291683306381296
Energy: 1.117320423379929
Energy: 1.030952531965407
Energy: 0.9995659529507304
Energy: 1.030952531963952
Energy: 1.1030900329953304
Energy: 1.0322544401843032
Energy: 1.0315151285222512
Energy: 1.0322544401828486
Energy: 1.1044281885137797
Energy: 1.0325140345384167
Energy: 0.9966503950446738
Energy: 1.032514034539144
Energy: 1.2014455794326535
Energy: 1.1166122245225563
Energy: 1.113230834645582
Energy: 1.116612224524011
Energy: 1.1984745204568623
Energy: 1.1116553234532176
Energy: 1.2067404647030757
Energy: 1.1116553234546722
Energy: 1.2009381359011386
Energy: 1.0413646847913067
Energy: 1.0411917777401456
Energy: 1.0413646847913067
Energy: 1.1099996834721348
Energy: 1.0404085923818778
Energy: 1.0387247512120257
Energy: 1.0404085923826052
Energy: 1.0414413834174339
Energy: 1.134517559616436
Energy: 1.041929745808776
Energy: 1.1345175596171635
Energy: 1.0848864919492591
Energy: 1.1327740035542866
Energy: 1.0419471751192915
Energy: 1.1327740035542866
Energy: 1.0435100535514903
Energy: 1.047684364361619
Energy: 1.1161530083115045
Energy: 1.0476843643623466
Energy: 1.0413362117508227
Energy: 1.0423631963155626
Energy: 1.1035474602831856
Energy: 1.0423631963148352
Energy: 1.0454219235389821
Energy: 1.10851991621961
Energy: 1.1395653557556398
Energy: 1.1085199162203372
Energy: 1.1954066336919924
Energy: 1.1969938765678243
Energy: 1.1950768027399006
Energy: 1.1969938765685517
Energy: 1.0257453972504993
Energy: 1.0321538554321694
Energy: 1.1119797106103504
Energy: 1.0321538554314418
Energy: 1.0243852362841894
Energy: 1.0312928175026574
Energy: 1.0412480224030354
Energy: 1.031292817503385
Energy: 0.9955452447105096
Energy: 1.0020532215915943
Energy: 1.1158075733015331
Energy: 1.0020532215908666
Energy: 0.9983648712116336
Energy: 1.0305197732336082
Energy: 1.104037041091072
Energy: 1.0305197732343354
Energy: 1.028034849029637
Energy: 1.0336043334986387
Energy: 1.1037020843137728
Energy: 1.0336043334993659
Energy: 1.1159167629665365
Energy: 1.1966563778197372
Energy: 1.1960607497313482
Energy: 1.1966563778197372

minimum gb energy = 0.9753566550907103 eV
minimum distance =  2.47984935271958 Angstroms
sigma value = 53


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

Energy: 1.436835788386705
Energy: 1.1159749187972674
Energy: 1.118200777939683
Energy: 0.9421489444132205
Energy: 1.1096899179175443
Energy: 0.9925531592575664
Energy: 1.1115370966958176
Energy: 0.9925531592592409
Energy: 1.1164046240965413
Energy: 1.1150215598567113
Energy: 1.1212173023567555
Energy: 1.1150215598550366
Energy: 1.109969271023806
Energy: 0.9936495581415759
Energy: 1.1086557739331115
Energy: 0.9936495581432504
Energy: 1.1165499430713057
Energy: 0.9927378260466142
Energy: 0.9263331608770458
Energy: 0.9927378260466142
Energy: 1.1096368539149244
Energy: 0.9953010921229677
Energy: 0.9268646750969125
Energy: 0.9953010921246422
Energy: 1.281947833588153
Energy: 1.1094174350630495
Energy: 1.1111920546871612
Energy: 1.1094174350630495
Energy: 1.2805895720868425
Energy: 0.9951587513695197
Energy: 1.1074540564098436
Energy: 0.9951587513695197
Energy: 1.115340000763024
Energy: 1.1105638058315581
Energy: 1.1204242466742802
Energy: 1.1105638058298837
Energy: 1.1078366939887963
Energy: 0.9945248116258057
Energy: 1.114187308038322
Energy: 0.9945248116241313
Energy: 1.1153519550026543
Energy: 0.9960246746433268
Energy: 0.9432074597770373
Energy: 0.9960246746433268
Energy: 1.1117426690275505
Energy: 0.9926393762297121
Energy: 0.9286441372788153
Energy: 0.9926393762297121
Energy: 1.2806091590511268
Energy: 0.9967308362092742
Energy: 1.1064225166352195
Energy: 0.9967308362075997

minimum gb energy = 0.9263331608770458 eV
minimum distance =  2.49562376281282 Angstroms
sigma value = 9


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

Energy: 1.3967656332824425
Energy: 1.252403374444691
Energy: 1.2526898175157393
Energy: 1.151839435325666
Energy: 1.051960446370555
Energy: 1.020329206832997
Energy: 1.2444434596774807
Energy: 1.020329206832997
Energy: 1.0213578732186577
Energy: 1.0212683929765065
Energy: 1.2248944108812359
Energy: 1.021268392975267
Energy: 1.0244647017105815
Energy: 1.020382065019357
Energy: 1.3161065709223525
Energy: 1.020382065019357
Energy: 1.0229013695044227
Energy: 1.0206147703201434
Energy: 1.314955092654
Energy: 1.020614770320763
Energy: 1.019578995045725
Energy: 1.0203750798372477
Energy: 1.315446517792126
Energy: 1.0203750798372477
Energy: 1.248251944204805
Energy: 1.227323662749724
Energy: 1.2437712708394975
Energy: 1.2273236627509636
Energy: 1.2466632582553743
Energy: 1.130337633167693
Energy: 1.2258603362578946
Energy: 1.130337633165834
Energy: 1.0783494196161778
Energy: 1.1453681480802809
Energy: 1.105491258662683
Energy: 1.1453681480802809
Energy: 1.0206289795027312
Energy: 1.1109649027378767
Energy: 1.2269091413686832
Energy: 1.1109649027353978
Energy: 1.0759249340844763
Energy: 1.0765550536741435
Energy: 1.136426367438823
Energy: 1.0765550536747635
Energy: 1.0904916369046438
Energy: 1.078000057242735
Energy: 1.3129147261803156
Energy: 1.0780000572439747
Energy: 1.2410397987178863
Energy: 1.076504620472428
Energy: 1.093181669806038
Energy: 1.0765046204749071
Energy: 1.2504284122330567
Energy: 1.0774631169445539
Energy: 1.0779113583020241
Energy: 1.0774631169464133
Energy: 1.2247993488869742
Energy: 1.1119847771867886
Energy: 1.0902508316292716
Energy: 1.1119847771849294
Energy: 1.1869875166348727
Energy: 1.1480174005464987
Energy: 1.0893977472754768
Energy: 1.148017400548978
Energy: 1.2273672079069555
Energy: 1.0201242675937836
Energy: 1.079387423836336
Energy: 1.0201242675950233
Energy: 1.2508382100422395
Energy: 1.227247010302011
Energy: 1.3130904836723
Energy: 1.227247010301391
Energy: 1.2447344447865853
Energy: 1.0209719336460934
Energy: 1.0810601032146954
Energy: 1.0209719336460934
Energy: 1.2944316687760153
Energy: 1.0223384185458744
Energy: 1.0271829689163012
Energy: 1.022338418546494
Energy: 1.3191854057112438
Energy: 1.0202521536940676
Energy: 1.0215449183369865
Energy: 1.0202521536953069
Energy: 1.3164619000819704
Energy: 1.0201838265101277
Energy: 1.0204992220054396
Energy: 1.020183826509508
Energy: 1.31545313068883
Energy: 1.02075771796296
Energy: 1.0196915142481415
Energy: 1.0207577179635798
Energy: 1.2452991650095242
Energy: 1.2269019422509893
Energy: 1.2494719108316832
Energy: 1.2269019422509893
Energy: 1.226366258338191
Energy: 1.2263857048093552
Energy: 1.24811217097969
Energy: 1.2263857048087354
Energy: 1.091017182327564
Energy: 1.1451142407144306
Energy: 1.076733578323674
Energy: 1.1451142407231072
Energy: 1.2287039685252212
Energy: 1.1105071674765796
Energy: 1.0199183510067324
Energy: 1.1105071674765796
Energy: 1.135689102181197
Energy: 1.0790255132381048
Energy: 1.077155390216578
Energy: 1.0790255132387245
Energy: 1.3131586028258153
Energy: 1.093663595342801
Energy: 1.0897756734547335
Energy: 1.093663595342801
Energy: 1.0923372345534368
Energy: 1.0664757250469104
Energy: 1.250186339989981
Energy: 1.0664757250462906
Energy: 1.0802196898587875
Energy: 1.078266395368705
Energy: 1.2237031780705523
Energy: 1.0782663953693248
Energy: 1.0851175572840603
Energy: 1.0656591091854406
Energy: 1.2250086729073688
Energy: 1.0656591091860603
Energy: 1.0903043666217025
Energy: 1.1475358278738133
Energy: 1.1352844691445434
Energy: 1.1475358278738133
Energy: 1.07818851025626
Energy: 1.0203759114006412
Energy: 1.1401699529047122
Energy: 1.0203759114025004
Energy: 1.3126850042835756
Energy: 1.2266744870369648
Energy: 1.2275293473743007
Energy: 1.2266744870382045

minimum gb energy = 1.019578995045725 eV
minimum distance =  2.47016829802815 Angstroms
sigma value = 73


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

Energy: 1.4986232271905426
Energy: 1.2138440517619682
Energy: 1.2131653806400633
Energy: 1.105641400683953
Energy: 1.0944142671230925
Energy: 1.044344007210394
Energy: 1.1755130285407294
Energy: 1.0443440072084273
Energy: 1.0450493629853341
Energy: 1.0444539181842398
Energy: 1.2147859831822385
Energy: 1.044453918185223
Energy: 1.0446895559539262
Energy: 1.0463033518031999
Energy: 1.3015865315562414
Energy: 1.0463033518012332
Energy: 1.0488756023387917
Energy: 1.0484556464437451
Energy: 1.2948062884462759
Energy: 1.0484556464417785
Energy: 1.1177534961114515
Energy: 1.0486568356197483
Energy: 1.2950236164091968
Energy: 1.0486568356207315
Energy: 1.1682576841052346
Energy: 1.2071403955327744
Energy: 1.2259099227563917
Energy: 1.2071403955317912
Energy: 1.109653936747908
Energy: 1.1508989179308513
Energy: 1.206653633394381
Energy: 1.150898917929868
Energy: 1.0879272441080123
Energy: 1.1657063153966765
Energy: 1.2093399512102214
Energy: 1.1657063153976601
Energy: 1.1031194387725753
Energy: 1.072044913943394
Energy: 1.2079057672083078
Energy: 1.0720449139414276
Energy: 1.0888595820780387
Energy: 1.0216779945738876
Energy: 1.0304487872581376
Energy: 1.0216779945729044
Energy: 1.0872865862018917
Energy: 1.0238471912761566
Energy: 1.2755207829382915
Energy: 1.0238471912761566
Energy: 1.2120001131474276
Energy: 1.094735559120839
Energy: 1.0817236823340075
Energy: 1.0947355591218222
Energy: 1.2124135924835064
Energy: 1.0971156600719956
Energy: 1.0891650818685774
Energy: 1.0971156600719956
Energy: 1.2286923803780265
Energy: 1.1545555877404376
Energy: 1.0856651359852072
Energy: 1.1545555877394542
Energy: 1.295188757040924
Energy: 1.0832425519148414
Energy: 1.083883769567333
Energy: 1.0832425519148414
Energy: 1.2967081070461977
Energy: 1.153020847988837
Energy: 1.088096618436714
Energy: 1.1530208479878539
Energy: 1.1780529669215376
Energy: 1.1769374683772542
Energy: 1.162321817246581
Energy: 1.1769374683782374
Energy: 1.1733178395655408
Energy: 1.1195674364761057
Energy: 1.1695336085052053
Energy: 1.119567436477089
Energy: 1.1840353328809705
Energy: 1.123014393326526
Energy: 1.1702976123106583
Energy: 1.1230143933255428
Energy: 1.173709263821032
Energy: 1.1205532174530297
Energy: 1.1020381808047126
Energy: 1.120553217451063
Energy: 1.2942830800891878
Energy: 1.1682448098307319
Energy: 1.170613139501208
Energy: 1.168244809831715

minimum gb energy = 1.0216779945729044 eV
minimum distance =  2.46216681086292 Angstroms
sigma value = 7


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

Energy: 1.7591719750697847
Energy: 1.2178106122276704
Energy: 1.2239518576755564
Energy: 1.0620062627299218
Energy: 1.1003346249986148
Energy: 1.0481121058734866
Energy: 1.2845342744240356
Energy: 1.0481121058783538
Energy: 1.0586393454883605
Energy: 1.0556671021214994
Energy: 1.1630540657594524
Energy: 1.0556671021152415
Energy: 1.0506141983006214
Energy: 1.048758277728861
Energy: 1.2781011065640322
Energy: 1.0487582777316422
Energy: 1.0506443185052445
Energy: 1.0502743453521388
Energy: 1.2534733535994904
Energy: 1.050274345352834
Energy: 1.0494644849284378
Energy: 1.0493795966986699
Energy: 1.2523212613136545
Energy: 1.049379596695193
Energy: 1.2767036928742157
Energy: 1.052785193722071
Energy: 1.0474959067327014
Energy: 1.0527851937255475
Energy: 1.2831920914111046
Energy: 1.048844360518592
Energy: 1.0493379580093727
Energy: 1.0488443605178965
Energy: 1.1640629446495177
Energy: 1.0480093769270007
Energy: 1.0472528942972044
Energy: 1.048009376929782
Energy: 1.2700048885703983
Energy: 1.0536294066168705
Energy: 1.050354592109005
Energy: 1.053629406613394
Energy: 1.2837755766128918
Energy: 1.16241292937965
Energy: 1.1681314405002636
Energy: 1.1624129293761736
Energy: 1.161337143967713
Energy: 1.1615548664463167
Energy: 1.2417569358600478
Energy: 1.1615548664400588
Energy: 1.1615232371963435
Energy: 1.1183160698674326
Energy: 1.1651837487277181
Energy: 1.1183160698632606
Energy: 1.1610979971690185
Energy: 1.113877989307936
Energy: 1.0671052506107526
Energy: 1.1138779893093265
Energy: 1.1641951181914172
Energy: 1.1195466148490223
Energy: 1.0737080788545843
Energy: 1.1195466148434599
Energy: 1.297475744483847
Energy: 1.162440775777768
Energy: 1.1633379780129198
Energy: 1.1624407757749866
Energy: 1.2991912745794123
Energy: 1.1630657773579722
Energy: 1.283291178790905
Energy: 1.1630657773948239
Energy: 1.0505970577414572
Energy: 1.085678285825835
Energy: 1.1638111708923622
Energy: 1.0856782858265301
Energy: 1.0450639261391275
Energy: 1.0469409119337467
Energy: 1.286238502110978
Energy: 1.04694091193027
Energy: 1.0494617932953405
Energy: 1.04945258943285
Energy: 1.0808026797858439
Energy: 1.049452589434936
Energy: 1.0475051018423156
Energy: 1.0523532514750191
Energy: 1.2581743441979552
Energy: 1.0523532514757143
Energy: 1.2814517211520229
Energy: 1.0499107900695202
Energy: 1.0487472115889906
Energy: 1.0499107900757778
Energy: 1.2804001029263177
Energy: 1.0505910907061817
Energy: 1.0507922281718716
Energy: 1.0505910907006193
Energy: 1.2777398103426922
Energy: 1.0487522981508322
Energy: 1.0500928828752547
Energy: 1.0487522981529183
Energy: 1.2546464806289306
Energy: 1.0564115523359776
Energy: 1.0588232598365164
Energy: 1.0564115523422357
Energy: 1.2525687041065054
Energy: 1.0485860808387069
Energy: 1.0552683816692177
Energy: 1.0485860808352305
Energy: 1.2244525227313636
Energy: 1.2176004803472305
Energy: 1.5136821398457436
Energy: 1.2176004803430585
Energy: 1.1602428820591917
Energy: 1.1161278134471257
Energy: 1.1608637198630158
Energy: 1.116127813455438
Energy: 1.1633160032431107
Energy: 1.1179316578922909
Energy: 1.1641935859127208
Energy: 1.1179316578902048
Energy: 1.1607280139744913
Energy: 1.1171541180481774
Energy: 1.0667025861812363
Energy: 1.117154118045396
Energy: 1.2999217588415322
Energy: 1.1622320986487948
Energy: 1.1600339757318066
Energy: 1.1622320986522714

minimum gb energy = 1.0450639261391275 eV
minimum distance =  2.46126683816687 Angstroms
sigma value = 29


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

Energy: 0.9833966474581428
Energy: 1.1889890644173329
Energy: 1.1407929821589515
Energy: 0.9855833753090921
Energy: 1.0168036598501828
Energy: 1.0901573621638392
Energy: 1.0150502639629124
Energy: 1.0901573621631393
Energy: 1.015389204443522
Energy: 1.057039324010642
Energy: 0.9903097630761786
Energy: 1.057039324008973
Energy: 0.9900714078240755
Energy: 1.0043233497292108
Energy: 1.0258717478343948
Energy: 1.0043233497275692
Energy: 1.0136590945564337
Energy: 1.0087486201803633
Energy: 0.9925536168450713
Energy: 1.0087486201772955
Energy: 1.025651317373198
Energy: 1.08111949763057
Energy: 0.9897499411534539
Energy: 1.081119497630328
Energy: 0.9893121494910134
Energy: 1.0570561218071681
Energy: 1.01767523611345
Energy: 1.0570561218071681
Energy: 1.015019730386535
Energy: 1.0180756360912204
Energy: 1.0214520170352839
Energy: 1.0180756360938306
Energy: 1.0294676237573348
Energy: 1.0095164977321243
Energy: 1.0123291163117962
Energy: 1.0095164977382869

minimum gb energy = 0.9833966474581428 eV
minimum distance =  2.47363845544558 Angstroms
sigma value = 5


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

Energy: 1.501750451945231
Energy: 0.9892935258923876
Energy: 1.1597923598895117
Energy: 0.9671789003233349
Energy: 1.0648272892601065
Energy: 0.9895476389122145
Energy: 1.140496482616717
Energy: 0.9895476389082738
Energy: 1.1418624736069831
Energy: 1.0652982586116178
Energy: 1.1442780388687992
Energy: 1.0652982586135882
Energy: 1.0966882127724589
Energy: 1.064617105139075
Energy: 1.1309084313296587
Energy: 1.0646171051403885
Energy: 1.0755982852460622
Energy: 0.9858565762013682
Energy: 1.09821952222765
Energy: 0.9858565762033387
Energy: 0.9874137162632676
Energy: 0.9872692133460241
Energy: 1.0992214623549943
Energy: 0.9872692133466809
Energy: 0.9853549131968029
Energy: 0.9851262433464943
Energy: 1.1322926308749226
Energy: 0.9851262433451807
Energy: 0.9916238914995509
Energy: 0.990608107994178
Energy: 1.2213517390574293
Energy: 0.990608107990894
Energy: 1.1108317067430635
Energy: 1.0141334145713978
Energy: 1.1923148348745014
Energy: 1.0141334145700842
Energy: 1.289557775315669
Energy: 0.969945059237384
Energy: 0.9763452371460204
Energy: 0.9699450592400113
Energy: 1.112022877379393
Energy: 0.9672319452502933
Energy: 0.9699704205904333
Energy: 0.9672319452489797
Energy: 1.2411233692922443
Energy: 0.9691859591564314
Energy: 0.9672535491004777
Energy: 0.9691859591623426
Energy: 1.255046912564965
Energy: 0.9672877468638733
Energy: 0.9814580670213512
Energy: 0.9672877468619029
Energy: 1.1120825784157884
Energy: 0.9551228336947009
Energy: 1.2524175005643323
Energy: 0.955122833697985
Energy: 1.0501240674393737
Energy: 0.9525250874118377
Energy: 1.2490083709245885
Energy: 0.9525250874105241
Energy: 1.0503120946373634
Energy: 0.9539017758175562
Energy: 1.0059560593064647
Energy: 0.9539017758155859
Energy: 1.0434343703807047
Energy: 0.9539733574587991
Energy: 1.004111600744
Energy: 0.9539733574640535
Energy: 1.1748312709807724
Energy: 0.9572709100486994
Energy: 1.0058968074918417
Energy: 0.9572709100513266
Energy: 1.2006685117502187
Energy: 1.0350890778955268
Energy: 1.0063011669049318
Energy: 1.035089077891586
Energy: 1.1713422256372061
Energy: 1.110049244690904
Energy: 1.0989800349351886
Energy: 1.1100492446902475
Energy: 1.0932126705968983
Energy: 1.0002878612582469
Energy: 1.0093651610948067
Energy: 1.000287861260874
Energy: 1.0980658906895804
Energy: 0.992589676907761
Energy: 0.9931375126568912
Energy: 0.992589676911045
Energy: 1.2281183128211344
Energy: 0.9927432483653376
Energy: 0.99502135222046
Energy: 0.9927432483633671
Energy: 1.2561299430877064
Energy: 0.9957520310854248
Energy: 1.0010882707725157
Energy: 0.9957520310847681
Energy: 1.1882765304431187
Energy: 1.0750159063491451
Energy: 1.0146043192887917
Energy: 1.0750159063484883
Energy: 0.9693600932675642
Energy: 0.9657465640360632
Energy: 1.2897194630152802
Energy: 0.9657465640360632
Energy: 0.9660419529516929
Energy: 0.9622538623700734
Energy: 1.0365358256319093
Energy: 0.9622538623700734
Energy: 0.9664744897989398
Energy: 0.9640547884497745
Energy: 1.0643520725462834
Energy: 0.9640547884478041
Energy: 0.9604128238983058
Energy: 0.9621677736508637
Energy: 1.2182823535103342
Energy: 0.9621677736443254
Energy: 1.2496992711037618
Energy: 1.0095718995822425
Energy: 1.0137091820169697
Energy: 1.00957189958684
Energy: 1.2505313756335543
Energy: 0.986159176532203
Energy: 0.9905573952986494
Energy: 0.9861591765341733
Energy: 1.1293978604277892
Energy: 0.9860350046992644
Energy: 0.9893363615156926
Energy: 0.9860350046953236
Energy: 0.9950845051541367
Energy: 0.9855359734415741
Energy: 0.9847720293010898
Energy: 0.9855359734422309

minimum gb energy = 0.9525250874105241 eV
minimum distance =  2.43346492254753 Angstroms
sigma value = 1


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

Energy: 1.487118972172376
Energy: 0.9317763950786837
Energy: 1.1216084048692114
Energy: 0.8994801961380069
Energy: 1.0560739549055747
Energy: 0.9367624816234901
Energy: 1.148101197258838
Energy: 0.9367624816234901
Energy: 1.1480765209895314
Energy: 1.0339766581830152
Energy: 1.1512345152404555
Energy: 1.0339766581848315
Energy: 0.958737025727175
Energy: 1.0347075303140054
Energy: 1.1345403413887873
Energy: 1.0347075303140054
Energy: 0.9323433596142942
Energy: 0.9311428706931858
Energy: 1.1439626346667529
Energy: 0.931142870694094
Energy: 0.9308768586415013
Energy: 0.9325468306875121
Energy: 1.1440100343720103
Energy: 0.9325468306866039
Energy: 0.9295860497903857
Energy: 0.929944751256128
Energy: 1.1359696954043892
Energy: 0.9299447512552197
Energy: 0.9395167972605547
Energy: 0.9384265090599446
Energy: 1.3031122947028928
Energy: 0.9384265090617608
Energy: 1.1350781039431828
Energy: 0.9727423793308364
Energy: 1.3029282926132784
Energy: 0.9727423793308364
Energy: 1.144266384644896
Energy: 0.9392708978679811
Energy: 0.9404199511658764
Energy: 0.9392708978661649
Energy: 1.1372233582050981
Energy: 0.9315401907999649
Energy: 0.929869589104898
Energy: 0.9315401907990567
Energy: 1.2992971804275477
Energy: 0.9440995498943899
Energy: 0.9313325531863212
Energy: 0.9440995498952981
Energy: 1.2992325023391993
Energy: 0.9324851749532952
Energy: 0.9312797184079942
Energy: 0.9324851749542034
Energy: 1.1335043631007302
Energy: 1.034032752308312
Energy: 1.149471177995244
Energy: 1.03403275230922
Energy: 0.9623294425563328
Energy: 1.0326666982238257
Energy: 1.1479095344957873
Energy: 1.0326666982220096
Energy: 0.9582809879853394
Energy: 0.9345770314115821
Energy: 1.1354940545825707
Energy: 0.9345770313888784
Energy: 0.9314196167821772
Energy: 0.9318795635012908
Energy: 1.1465145655419366
Energy: 0.9318795634985662
Energy: 0.9399713258387067
Energy: 0.9382676508546635
Energy: 1.159908976820256
Energy: 0.9382676508546635
Energy: 0.9304985095464287
Energy: 0.9313040773764215
Energy: 1.3030443175311575
Energy: 0.9313040773791459
Energy: 0.9339725700671128
Energy: 0.9394986216881943
Energy: 1.3032676731910442
Energy: 0.9394986216854698
Energy: 1.1443377798180856
Energy: 0.9684098194953429
Energy: 1.1362313387447907
Energy: 0.9684098194944347
Energy: 1.1460377162709618
Energy: 0.9341420746471155
Energy: 0.9351336755622924
Energy: 0.9341420746452993
Energy: 1.1353508976884097
Energy: 0.9305265541273181
Energy: 0.9319580030063488
Energy: 0.9305265541300425
Energy: 1.2994041315003733
Energy: 0.9324627254707255
Energy: 0.9313096502731524
Energy: 0.9324627254707255

minimum gb energy = 0.8994801961380069 eV
minimum distance =  2.45205209972739 Angstroms
sigma value = 17


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

Energy: 1.5968360359037976
Energy: 0.9240786556655378
Energy: 1.1229557014007905
Energy: 0.8997333305201551
Energy: 0.95207830905508
Energy: 0.922147572137349
Energy: 1.0571787146854494
Energy: 0.9221475721395942
Energy: 1.163880781358462
Energy: 0.9196574004200179
Energy: 1.088072465654059
Energy: 0.9196574004211404
Energy: 1.2308750814277971
Energy: 0.9683630494718092
Energy: 1.0477599243445703
Energy: 0.968363049471248
Energy: 1.030294040306382
Energy: 0.9006246025331964
Energy: 1.232738696078265
Energy: 0.9006246025315126
Energy: 0.901147616978875
Energy: 0.9005681481203639
Energy: 1.178570832626603
Energy: 0.9005681481209252
Energy: 0.9021460075415046
Energy: 0.9000958925888035
Energy: 0.9406118371345091
Energy: 0.9000958925876809
Energy: 0.9108351288022296
Energy: 0.9022660155029553
Energy: 1.1985670792920373
Energy: 0.9022660155029553
Energy: 1.1890338419558737
Energy: 0.9019611951035164
Energy: 1.1629566055649183
Energy: 0.9019611951052005
Energy: 1.0955313562855427
Energy: 0.9727191583533995
Energy: 1.0731126791077068
Energy: 0.9727191583545222
Energy: 1.184328857019799
Energy: 0.9201276712571314
Energy: 0.9360290177633932
Energy: 0.92012767125657
Energy: 1.1947855878211084
Energy: 0.9270006982896362
Energy: 1.0490112950640422
Energy: 0.9270006982890748
Energy: 1.177607099112016
Energy: 0.9202832740250515
Energy: 0.9199762448490653
Energy: 0.9202832740256129
Energy: 1.0708805158673147
Energy: 0.9196088722854799
Energy: 0.9222209497032109
Energy: 0.9196088722854799
Energy: 1.2278707904219037
Energy: 0.922224164639371
Energy: 0.9259320057086847
Energy: 0.922224164639371
Energy: 1.1986650060583173
Energy: 0.920396345522609
Energy: 0.9238878463482191
Energy: 0.920396345524854
Energy: 0.919726842630616
Energy: 0.923951455736685
Energy: 1.2197625510563581
Energy: 0.9239514557333172
Energy: 0.9202247712971875
Energy: 0.9188550302476602
Energy: 1.1902679752417926
Energy: 0.9188550302482215
Energy: 0.9408822214685189
Energy: 0.9217199831888293
Energy: 1.1592572522349736
Energy: 0.921719983188268
Energy: 0.9213579284051722
Energy: 0.919045075465316
Energy: 1.199220942591528
Energy: 0.9190450754641933
Energy: 1.0572966730380047
Energy: 0.921691227860657
Energy: 0.9207528097450316
Energy: 0.9216912278629024
Energy: 1.087944884942551
Energy: 0.9188124850916829
Energy: 1.1662979996735603
Energy: 0.9188124850967347
Energy: 1.0486069266011682
Energy: 0.9661702929531529
Energy: 1.230084473291641
Energy: 0.9661702929537141
Energy: 1.2370385446310364
Energy: 0.9023074477473384
Energy: 1.0290255500338625
Energy: 0.9023074477445319
Energy: 1.1782748739566071
Energy: 0.9004222781259064
Energy: 0.9001678649981363
Energy: 0.9004222781242224
Energy: 1.0497336725856625
Energy: 0.9012338479186949
Energy: 0.9082742559547453
Energy: 0.9012338479164496
Energy: 1.1978973396128603
Energy: 0.901134577972759
Energy: 0.9005689664782646
Energy: 0.9011345779710752
Energy: 1.051705375040361
Energy: 0.9014934714136003
Energy: 1.1858382259482714
Energy: 0.9014934714147229
Energy: 1.0591666407387756
Energy: 0.9701617302542025
Energy: 1.084417022385801
Energy: 0.9701617302542025
Energy: 0.9376182339686128
Energy: 0.9191393099623513
Energy: 1.182311587626075
Energy: 0.9191393099657191
Energy: 1.0481859111659486
Energy: 0.9206796710035923
Energy: 1.1999141887505704
Energy: 0.9206796710035923
Energy: 0.9192156927235662
Energy: 0.9206742421493121
Energy: 1.178292180621724
Energy: 0.9206742421498735
Energy: 0.9195387757972439
Energy: 0.9188029085946818
Energy: 1.0722053909208915
Energy: 0.9188029085952432
Energy: 0.9305211013058929
Energy: 0.921688022016396
Energy: 1.2302446233077062
Energy: 0.9216880220158346
Energy: 1.0780462003395814
Energy: 0.9431836705223666
Energy: 1.1984182719392993
Energy: 0.9431836705195601
Energy: 1.4264513951346132
Energy: 0.9260320785390712
Energy: 0.9205886058876475
Energy: 0.9260320785407552
Energy: 1.1860695319358983
Energy: 0.9198987583187239
Energy: 0.9201492024777135
Energy: 0.9198987583164787
Energy: 1.1630040415407115
Energy: 0.925387794141119
Energy: 0.9204469924164708
Energy: 0.9253877941433643

minimum gb energy = 0.8997333305201551 eV
minimum distance =  2.446209765939 Angstroms
sigma value = 89


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

Energy: 1.703362977173652
Energy: 0.84012107947606
Energy: 0.8395797068809663
Energy: 0.870281342307267
Energy: 0.8401168642321158
Energy: 0.9153352367372356
Energy: 0.8389401286810896
Energy: 0.9153352367357669
Energy: 0.8304284347152253
Energy: 0.9162788070356976
Energy: 0.8610894558067087
Energy: 0.9162788070371662
Energy: 0.8327163210781191
Energy: 0.9168778311698141
Energy: 0.8380806659569536
Energy: 0.9168778311698141
Energy: 0.8368446306718078
Energy: 0.837571721495959
Energy: 0.8544214924496784
Energy: 0.837571721495959
Energy: 0.8370375608659383
Energy: 0.8366479959420465
Energy: 0.8535647806067169
Energy: 0.8366479959405778
Energy: 0.8359846602208891
Energy: 0.8356836898628048
Energy: 0.8393704822803535
Energy: 0.8356836898613361
Energy: 0.8372101738783758
Energy: 0.8408450080059126
Energy: 0.8297065131432231
Energy: 0.8408450080059126
Energy: 0.8384105805446969
Energy: 0.8386445910078236
Energy: 0.8295288458419171
Energy: 0.8386445910063549
Energy: 0.8611144727555984
Energy: 0.9177985960071783
Energy: 0.840397216507696
Energy: 0.9177985960071783
Energy: 0.8393249110871152
Energy: 0.9067233451856208
Energy: 0.8291528189705393
Energy: 0.9067233451856208
Energy: 0.8526154798127712
Energy: 0.8358397094044524
Energy: 0.838958970949364
Energy: 0.8358397094044524
Energy: 0.8545329528986487
Energy: 0.8389481297138928
Energy: 0.8373891800828291
Energy: 0.8389481297138928
Energy: 0.8390114398023581
Energy: 0.8352630595221239
Energy: 0.8355251897047985
Energy: 0.8352630595235925
Energy: 0.829554618616823
Energy: 0.8378807285229914
Energy: 0.8385351124723304
Energy: 0.8378807285229914

minimum gb energy = 0.8291528189705393 eV
minimum distance =  2.47883651491143 Angstroms
sigma value = 13


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

Energy: 1.4911921167884679
Energy: 0.7974792755766704
Energy: 1.0390619761079394
Energy: 0.7890185425856376
Energy: 0.871582026664989
Energy: 0.7954400237183018
Energy: 0.952163842512973
Energy: 0.7954400237146084
Energy: 0.8001442401382789
Energy: 0.7935421810377798
Energy: 0.9623000412084471
Energy: 0.7935421810328553
Energy: 1.1251678629337731
Energy: 0.7970749167614779
Energy: 0.9430449683921329
Energy: 0.7970749167620933
Energy: 1.1045706343485335
Energy: 0.7961072564761064
Energy: 0.9593624401537812
Energy: 0.7961072564348629
Energy: 0.9444673937701997
Energy: 0.7950364110734975
Energy: 0.9380063641906904
Energy: 0.7950364110784222
Energy: 0.9442188306040993
Energy: 0.793998405003324
Energy: 0.9395792965110817
Energy: 0.7939984050070175
Energy: 0.9427593268340455
Energy: 0.7938380528675103
Energy: 0.9657834528239859
Energy: 0.7938380528656634
Energy: 0.7926510011326253
Energy: 0.7964231861729081
Energy: 0.9465148529861497
Energy: 0.7964231861704457
Energy: 0.7930400538383465
Energy: 0.7939819495506502
Energy: 0.9449080888969148
Energy: 0.7939819495488035
Energy: 0.7963530008311996
Energy: 0.794451897935288
Energy: 1.491331267371181
Energy: 0.7944518979248233
Energy: 0.9388072440206429
Energy: 0.7929317775905974
Energy: 0.9457376279790998
Energy: 0.7929317775856729
Energy: 0.9421008638408005
Energy: 0.8359033205582933
Energy: 0.9377740053033908
Energy: 0.8359033205638334
Energy: 1.101840257376406
Energy: 0.8389552718193154
Energy: 1.1210161545991797
Energy: 0.8389552718217776
Energy: 0.9640246785239956
Energy: 0.7955663860549451
Energy: 1.101618874923023
Energy: 0.7955663860487893
Energy: 0.9495051709461704
Energy: 0.7954457071031982
Energy: 0.798290623529625
Energy: 0.7954457070939644
Energy: 1.0994420222267036
Energy: 0.794582657936755
Energy: 0.7947843937322436
Energy: 0.7945826579342927
Energy: 0.8000985829599956
Energy: 0.7934173479771967
Energy: 0.7960571772508191
Energy: 0.7934173479808901
Energy: 1.0723539382437905
Energy: 0.7961981770204876
Energy: 0.9381937950484908
Energy: 0.7961981770167941
Energy: 0.9445044231849495
Energy: 0.792806059676539
Energy: 0.9640144973553346
Energy: 0.7928060596746922
Energy: 1.1259619808035932
Energy: 0.7950400175316512
Energy: 0.9383104881537286
Energy: 0.7950400175334978
Energy: 0.944775874981936
Energy: 0.8518498860500431
Energy: 0.9382687460084356
Energy: 0.8518498860475807
Energy: 0.9456189598093632
Energy: 0.7973465186977029
Energy: 0.9597820466883674
Energy: 0.7973465186977029
Energy: 0.8006065588074124
Energy: 0.7928307717380171
Energy: 1.1032752762752855
Energy: 0.7928307717417106
Energy: 0.9406241031002172
Energy: 0.7948246457774464
Energy: 0.9642961975300404
Energy: 0.7948246457805243
Energy: 0.7953331582589134
Energy: 0.7935129435401523
Energy: 0.9468272075114703
Energy: 0.79351294353215
Energy: 0.793850144747871
Energy: 0.7933155389177398
Energy: 1.1064261149133654
Energy: 0.7933155389195865
Energy: 0.8101699246716649
Energy: 0.7972386722079725
Energy: 0.8285902717927821
Energy: 0.7972386722116661
Energy: 0.9372056306547714
Energy: 0.7934933771875229
Energy: 1.0734677299137967
Energy: 0.7934933771881384
Energy: 0.9630483434726684
Energy: 0.8396209685118479
Energy: 0.9376314483513818
Energy: 0.839620968501383
Energy: 0.9390978675273856
Energy: 0.8350580484131694
Energy: 1.1267929644247268
Energy: 0.8350580484076852
Energy: 0.9491995837640013
Energy: 0.7945285787284337
Energy: 0.9376760594907148
Energy: 0.7945285787296649
Energy: 0.9644633625278408
Energy: 0.7955808539193407
Energy: 0.8110443096201728
Energy: 0.7955808539230342
Energy: 1.1042034542844543
Energy: 0.793231789904628
Energy: 0.794218264988326
Energy: 0.7932317899132459
Energy: 1.072134188439944
Energy: 0.7953438382489255
Energy: 0.797222858647822
Energy: 0.795343838252619

minimum gb energy = 0.7890185425856376 eV
minimum distance =  2.47594879991268 Angstroms
sigma value = 37


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

Energy: 1.2892901778187345
Energy: 0.7274441254624
Energy: 0.7254097138905404
Energy: 0.7274770129415981
Energy: 1.118834876337599
Energy: 0.7255651327508013
Energy: 0.9738718323163559
Energy: 0.7255651327518604
Energy: 1.2160184663124656
Energy: 0.7244927163632497
Energy: 0.9784937541293268
Energy: 0.7244927163632497
Energy: 1.214930012527979
Energy: 0.8088997102445514
Energy: 0.9723557421183656
Energy: 0.8088997102445514
Energy: 1.2241496353519075
Energy: 0.8103676032206454
Energy: 0.9754222201209206
Energy: 0.8103676032206454
Energy: 0.7214502121652473
Energy: 0.7258954754922681
Energy: 1.224393712024068
Energy: 0.7258954754922681
Energy: 0.7210367357595258
Energy: 0.7242030495536554
Energy: 1.2257758829622392
Energy: 0.7242030495525964
Energy: 0.7364988221935201
Energy: 0.7262255455251813
Energy: 1.21849085987081
Energy: 0.7262255455251813
Energy: 0.72438116565936
Energy: 0.7286737813286499
Energy: 1.2184326795728562
Energy: 0.7286737813286499
Energy: 0.7236642289982896
Energy: 0.7260935138075264
Energy: 1.214757860211506
Energy: 0.7260935138075264
Energy: 0.7254097138937176
Energy: 0.7274770129405389
Energy: 1.2892901778176753
Energy: 0.7274441259165494
Energy: 0.9738718323174149
Energy: 0.7255651327508013
Energy: 1.2253100275259177
Energy: 0.7255651327508013
Energy: 0.9784937541303861
Energy: 0.7244927163632497
Energy: 1.2160184663124656
Energy: 0.7244927163632497
Energy: 0.9723557421300154
Energy: 0.8088997102456105
Energy: 1.214930012527979
Energy: 0.8088997102445514
Energy: 0.9754222201198615
Energy: 0.8103676032217043
Energy: 1.2241496353519075
Energy: 0.8103676032217043
Energy: 1.224393712026186
Energy: 0.7258954754922681
Energy: 0.7214502121673655
Energy: 0.7258954754922681
Energy: 1.2257758829643572
Energy: 0.7242030495536554
Energy: 0.7210367357605848
Energy: 0.7242030495525964
Energy: 1.21849085987081
Energy: 0.7262255455251813
Energy: 0.7364988221924611
Energy: 0.7262255455262403
Energy: 1.2184326795749743
Energy: 0.7286737813286499
Energy: 0.7243811656583008
Energy: 0.7286737813286499
Energy: 1.214757860211506
Energy: 0.7260935138085853
Energy: 0.7236642289993487
Energy: 0.7260935138085853

minimum gb energy = 0.7210367357595258 eV
minimum distance =  2.48504466014879 Angstroms
sigma value = 25


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

Energy: 1.5549696214790414
Energy: 0.6506107144561366
Energy: 0.9256915920663519
Energy: 0.6561334578634788
Energy: 1.1476195680427532
Energy: 0.6479808341435451
Energy: 0.8510008682030749
Energy: 0.6479808341435451
Energy: 1.3864919714540533
Energy: 0.6471957407604882
Energy: 0.8550169750647144
Energy: 0.6471957407596612
Energy: 1.0698477933244934
Energy: 0.651807014284483
Energy: 0.8506564052895856
Energy: 0.651807014284483
Energy: 1.0651121656900675
Energy: 0.7133379025630205
Energy: 1.2217680869518692
Energy: 0.7133379025630205
Energy: 1.0538896253597738
Energy: 0.7114243562961455
Energy: 1.2239587396763414
Energy: 0.7114243562953185
Energy: 1.057880934720778
Energy: 0.7153969204691781
Energy: 1.2237944911403937
Energy: 0.7153969204700051
Energy: 0.8504304355512299
Energy: 0.6519146924931709
Energy: 1.218467430529486
Energy: 0.6519146924931709
Energy: 0.8549240936546876
Energy: 0.6470973020514569
Energy: 1.2209849093521896
Energy: 0.6470973020514569
Energy: 0.8562520882014077
Energy: 0.648123401298032
Energy: 1.2209570425567247
Energy: 0.6481234012972049
Energy: 0.6479019621530211
Energy: 0.6519925530963006
Energy: 1.31226846230308
Energy: 0.6519925530971276
Energy: 0.652059297973887
Energy: 0.6479839130305549
Energy: 1.2215210890931538
Energy: 0.6479839130322087
Energy: 0.6494844995889941
Energy: 0.6505906694392195
Energy: 1.0566749405755735
Energy: 0.6505906694392195
Energy: 0.6641842556498668
Energy: 0.6541661153766251
Energy: 1.3821763873014279
Energy: 0.6541661153782791
Energy: 0.8549537343467447
Energy: 0.64665193115698
Energy: 1.3897354459327167
Energy: 0.64665193115698
Energy: 0.8567684263705023
Energy: 0.6485746902217544
Energy: 1.3827533572354629
Energy: 0.6485746902209274
Energy: 1.0658293591102364
Energy: 0.6492151679747449
Energy: 1.3826998755725648
Energy: 0.6492151679755719
Energy: 0.8586861223015838
Energy: 0.7169481519983688
Energy: 1.2267611682950983
Energy: 0.7169481519991958
Energy: 1.2205902463217244
Energy: 0.7123874474291255
Energy: 1.0568758366571491
Energy: 0.7123874474291255
Energy: 1.2221909790628318
Energy: 0.7122751565684557
Energy: 1.0544243039785146
Energy: 0.7122751565676287
Energy: 1.3132101721584526
Energy: 0.6506455054984621
Energy: 0.8587052140374859
Energy: 0.6506455054976351
Energy: 1.2230285215770131
Energy: 0.6465196764122454
Energy: 0.6479980359965805
Energy: 0.6465196764122454
Energy: 1.2205952708133738
Energy: 0.6498378687374622
Energy: 0.8504476713209265
Energy: 0.6498378687374622
Energy: 1.217503247806029
Energy: 0.6500522014953067
Energy: 0.6478043926660514
Energy: 0.6500522014953067
Energy: 1.3904781296018185
Energy: 0.6465871962439337
Energy: 0.6475756773863341
Energy: 0.6465871962431067
Energy: 1.3806253117265685
Energy: 0.6489736685259776
Energy: 0.6538937217824041
Energy: 0.6489736685259776

minimum gb energy = 0.6465196764122454 eV
minimum distance =  2.48593242546799 Angstroms
sigma value = 41


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

Energy: 1.7235924610318096
Energy: 0.592888019945942
Energy: 0.5936167051743222
Energy: 0.600718056239554
Energy: 1.2941478026669713
Energy: 0.5902524755569074
Energy: 0.7595606136383265
Energy: 0.5902524755569074
Energy: 1.503439464737524
Energy: 0.5889822164947848
Energy: 0.7628947498929692
Energy: 0.5889822164941068
Energy: 1.2286511577292385
Energy: 0.5916448157233427
Energy: 0.9434627983099764
Energy: 0.5916448157226647
Energy: 1.226641451635297
Energy: 0.588063387573834
Energy: 1.0797716882534578
Energy: 0.588063387573834
Energy: 1.2199728269894279
Energy: 0.5893263567604664
Energy: 1.076639857770529
Energy: 0.589326356921091
Energy: 1.2257722525218844
Energy: 0.6454307071659953
Energy: 1.2268153088149574
Energy: 0.6454307071659953
Energy: 1.0855818599740563
Energy: 0.6426655716529337
Energy: 1.0831780007186218
Energy: 0.6426655716515777
Energy: 0.9314122617576319
Energy: 0.589477286371282
Energy: 1.3621536749093255
Energy: 0.5894772863706041
Energy: 0.9312001448067834
Energy: 0.5881461322437024
Energy: 1.2281665869861662
Energy: 0.5881461323013017
Energy: 0.7706626957661078
Energy: 0.593161881770114
Energy: 1.357240103965459
Energy: 0.593161881766724
Energy: 0.761688567998587
Energy: 0.5880303549064783
Energy: 1.3601312257949512
Energy: 0.5880303549078344
Energy: 0.7605130436729113
Energy: 0.5908398300626115
Energy: 1.3581967942721027
Energy: 0.5908398300612556
Energy: 0.5888582634396308
Energy: 0.5921035691189561
Energy: 1.3574929254006793
Energy: 0.5921035691189561
Energy: 0.5906840982058081
Energy: 0.5889281074941399
Energy: 1.3614871468597494
Energy: 0.5889281074954961
Energy: 0.595902279468121
Energy: 0.5905238735660375
Energy: 1.5058308387520838
Energy: 0.5905238735667157
Energy: 0.7680905571463318
Energy: 0.5928637482850584
Energy: 1.4956432776708384
Energy: 0.5928637482837025
Energy: 0.7604363489903809
Energy: 0.587675064513404
Energy: 1.5024381622330583
Energy: 0.587675064512726
Energy: 0.7613514649332015
Energy: 0.5917708591487878
Energy: 1.2229728754728966
Energy: 0.5917708591460756
Energy: 1.0781781952930793
Energy: 0.59013019839585
Energy: 1.2203374394075008
Energy: 0.59013019839585
Energy: 1.083116085164575
Energy: 0.5909987827176737
Energy: 1.3599728482195177
Energy: 0.5909987827230976
Energy: 1.0786585919143121
Energy: 0.6418497921820429
Energy: 1.226579342380006
Energy: 0.6418497921786529
Energy: 1.3627851000815654
Energy: 0.6412351871596592
Energy: 1.2183406488883417
Energy: 0.6412351871596592
Energy: 1.0823838957058551
Energy: 0.6418181610730164
Energy: 1.077183640622252
Energy: 0.6418181610689483
Energy: 1.3613553681330943
Energy: 0.5902862578252461
Energy: 0.9290966548094615
Energy: 0.5902862578205001
Energy: 1.3631681422807254
Energy: 0.5901197476118769
Energy: 1.0751355268256888
Energy: 0.5901197476118769
Energy: 1.3679398267007339
Energy: 0.5924278555381325
Energy: 0.761131920915249
Energy: 0.5924278555367765
Energy: 1.5007979002932497
Energy: 0.588347464025057
Energy: 0.7590560515959505
Energy: 0.588347464024379
Energy: 1.3667056312631825
Energy: 0.5922262442121103
Energy: 0.7668602365653882
Energy: 0.5922262442121103
Energy: 1.3637527363112527
Energy: 0.5908973135382092
Energy: 0.5964300915691737
Energy: 0.5908973135388871
Energy: 1.5014605411583961
Energy: 0.5888299566848572
Energy: 0.590205849953111
Energy: 0.5888299566848572
Energy: 1.4959695796564099
Energy: 0.5949025096290597
Energy: 0.5981702849564613
Energy: 0.5949025096304157

minimum gb energy = 0.587675064512726 eV
minimum distance =  2.48745979673508 Angstroms
sigma value = 15


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

Energy: 1.4805142329543604
Energy: 0.5493557099486396
Energy: 0.8423454799024076
Energy: 0.5579311781719584
Energy: 1.4004801949078536
Energy: 0.5448959954659646
Energy: 0.6904482717361067
Energy: 0.544895995466539
Energy: 1.5863083912234333
Energy: 0.5441275398852947
Energy: 0.6946330661022562
Energy: 0.5441275398870178
Energy: 1.3496503465708107
Energy: 0.5473965234434034
Energy: 0.9746666285819376
Energy: 0.547396523444552
Energy: 1.345011043484239
Energy: 0.5418900832086383
Energy: 0.965667776832254
Energy: 0.541890083236782
Energy: 1.3409585243712479
Energy: 0.5425855331762401
Energy: 0.9639100603621668
Energy: 0.5425855331745172
Energy: 1.0924705926250444
Energy: 0.5489202151666389
Energy: 1.216535546883044
Energy: 0.5489202151626185
Energy: 1.2210918818601488
Energy: 0.5918112810167203
Energy: 0.9631277451025395
Energy: 0.591811281017869
Energy: 1.090513026429806
Energy: 0.5879717054635202
Energy: 1.2128866100652083
Energy: 0.5879717054589252
Energy: 1.0892011869901477
Energy: 0.588518395648682
Energy: 1.461543956534671
Energy: 0.5885183956423639
Energy: 0.9718914524259938
Energy: 0.545105578667268
Energy: 1.2276110960641229
Energy: 0.5451055786678425
Energy: 0.8339655880020457
Energy: 0.5418763942211737
Energy: 1.4592219566930913
Energy: 0.5418763942269174
Energy: 0.9640708734171506
Energy: 0.5427444681327822
Energy: 1.461545710797379
Energy: 0.5427444681299105
Energy: 0.6992365309019185
Energy: 0.5474003888768233
Energy: 1.2246992896133102
Energy: 0.5474003888728027
Energy: 0.6875459009265705
Energy: 0.5424840996507242
Energy: 1.5822553405272721
Energy: 0.5424840996524473
Energy: 0.6934512412707103
Energy: 0.5459229377686897
Energy: 1.4640983302509645
Energy: 0.5459229377681155
Energy: 0.5508157001287839
Energy: 0.5465673103857468
Energy: 1.4689872951387648
Energy: 0.546567310386321
Energy: 0.5429811892936426
Energy: 0.5435535296440197
Energy: 1.5812411044508823
Energy: 0.5435535296440197
Energy: 0.5560127728292749
Energy: 0.5459950173550571
Energy: 1.3449803725192062
Energy: 0.5459950173539084
Energy: 0.6967351703658723
Energy: 0.5456489873173589
Energy: 1.5888093349882866
Energy: 0.5456489873185076
Energy: 0.6851403720188309
Energy: 0.5427006492936424
Energy: 1.4598549935966798
Energy: 0.5427006492947912
Energy: 0.70033163007543
Energy: 0.5467995079678373
Energy: 1.347877978568175
Energy: 0.5467995079672628
Energy: 0.9640829317224147
Energy: 0.5431066177222795
Energy: 1.3381017821487495
Energy: 0.5431066177228538
Energy: 0.9662920181953267
Energy: 0.5421602857750503
Energy: 1.4604176624649268
Energy: 0.5421602857756247
Energy: 0.9704171206922874
Energy: 0.545310372871944
Energy: 1.1002402468564672
Energy: 0.5453103728707952
Energy: 1.215966178149059
Energy: 0.5906867278911064
Energy: 1.3497432601212964
Energy: 0.5906867278893831
Energy: 0.9642509519208531
Energy: 0.588102075331581
Energy: 1.2143131012422226
Energy: 0.5881020753350271
Energy: 1.2200997815018289
Energy: 0.592252623517846
Energy: 1.096751340620877
Energy: 0.5922526235143999
Energy: 1.2188485838729475
Energy: 0.5466293248807932
Energy: 1.2158669950995538
Energy: 0.5466293248848136
Energy: 1.2155394351099293
Energy: 0.5429345222591024
Energy: 0.9645225143821018
Energy: 0.5429345222924155
Energy: 1.342790797913326
Energy: 0.5418336484078278
Energy: 0.833887420449191
Energy: 0.5418336484055304
Energy: 1.2229591512982787
Energy: 0.548260298937191
Energy: 0.9722400263878587
Energy: 0.5482602989383397
Energy: 1.4625256988608328
Energy: 0.543927152748865
Energy: 0.6934746034689271
Energy: 0.5439271527505881
Energy: 1.4582673399398902
Energy: 0.5441294641838349
Energy: 0.6944279750840254
Energy: 0.5441294641832606
Energy: 1.4562567294050315
Energy: 0.5477710847420351
Energy: 0.560139994787504
Energy: 0.5477710847391632
Energy: 1.4586155377004462
Energy: 0.5448697321631732
Energy: 0.5476951515597541
Energy: 0.5448697321608759
Energy: 1.5823954711170998
Energy: 0.5440493798296978
Energy: 0.5467101445477579
Energy: 0.5440493798314208

minimum gb energy = 0.5418336484055304 eV
minimum distance =  2.4920613591752 Angstroms
sigma value = 85


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

Energy: 1.669022339212474
Energy: 0.49364836665163747
Energy: 0.4944571519161097
Energy: 0.5191223179252077
Energy: 1.5214907647955376
Energy: 0.49424995392828247
Energy: 0.6258212111005025
Energy: 0.49424995392629
Energy: 1.4657310266726755
Energy: 0.4935873136627981
Energy: 0.6262517807337663
Energy: 0.4935873136603074
Energy: 1.2446526443849584
Energy: 0.49843971304158874
Energy: 0.8633061725037228
Energy: 0.4984397130420869
Energy: 1.4195594835284293
Energy: 0.49237784627479975
Energy: 0.863295762819862
Energy: 0.49237784627479975
Energy: 1.2485505070464278
Energy: 0.49280596630408346
Energy: 0.8645523878037867
Energy: 0.49280596631551815
Energy: 1.2455325840318445
Energy: 0.4930542995919265
Energy: 1.0844817450003514
Energy: 0.49305429958246166
Energy: 1.304908552686417
Energy: 0.4923906497343541
Energy: 0.9164785873206699
Energy: 0.49239064973833924
Energy: 1.2472934901069657
Energy: 0.49338101978373244
Energy: 1.0847530523586992
Energy: 0.4933810197807436
Energy: 1.2472117776433898
Energy: 0.5732537007854754
Energy: 1.3033572283855934
Energy: 0.5732537007864716
Energy: 1.0854713691340536
Energy: 0.492149676975085
Energy: 1.1364725361195696
Energy: 0.4921496956099193
Energy: 1.026832489375531
Energy: 0.4917563901158705
Energy: 1.3037242812979264
Energy: 0.4917563901258334
Energy: 1.0849876068540933
Energy: 0.4921472853280354
Energy: 1.3575158130024152
Energy: 0.49214728532554475
Energy: 0.8634068215448297
Energy: 0.4934602854620853
Energy: 1.1346689355787405
Energy: 0.49346028546557236
Energy: 0.8042007681843727
Energy: 0.491691264856045
Energy: 1.5186030938680883
Energy: 0.4916912648555469
Energy: 0.8668853098172404
Energy: 0.493548456628475
Energy: 1.3543605026872945
Energy: 0.4935484566279769
Energy: 0.616865335216622
Energy: 0.49612505315905187
Energy: 1.354522636753324
Energy: 0.49612505315905187
Energy: 0.6203272000423369
Energy: 0.49255195746093494
Energy: 1.4157919206767817
Energy: 0.49255195746292757
Energy: 0.612574255538917
Energy: 0.4912779355898526
Energy: 1.568092253111993
Energy: 0.4912779355923433
Energy: 0.5553348804356548
Energy: 0.4916921098955395
Energy: 1.56841181390434
Energy: 0.49169210989504136
Energy: 0.5529022935073227
Energy: 0.4897584174753889
Energy: 1.4144041845919761
Energy: 0.4897584174768833
Energy: 0.5551829853161888
Energy: 0.4947626567936729
Energy: 1.408007077148241
Energy: 0.4947626567981562
Energy: 0.689764761217309
Energy: 0.4934090722895715
Energy: 1.6222572847922756
Energy: 0.4934090722890733
Energy: 0.6812578822143299
Energy: 0.491832613902171
Energy: 1.6245478074938005
Energy: 0.49183261390117466
Energy: 0.6847651036731914
Energy: 0.49196927813067615
Energy: 1.2442724914990595
Energy: 0.49196927813067615
Energy: 0.8593515688088973
Energy: 0.4916123932599716
Energy: 1.5727706064866374
Energy: 0.491612393261466
Energy: 0.8585995323509809
Energy: 0.4915658482096836
Energy: 1.4658502739826829
Energy: 0.49156584820719285
Energy: 0.9912966678341887
Energy: 0.4912580205878452
Energy: 1.245308882121108
Energy: 0.4912580205798749
Energy: 1.0882678307180724
Energy: 0.4914470850227685
Energy: 1.4110645450650492
Energy: 0.491447084974471
Energy: 1.0861544690387763
Energy: 0.4913398557355113
Energy: 1.2481294735883508
Energy: 0.4913398557245522
Energy: 1.307560999101889
Energy: 0.5717985105601401
Energy: 1.025332608922529
Energy: 0.5717985105342366
Energy: 1.136394901495274
Energy: 0.6277365596449723
Energy: 1.259300967483267
Energy: 0.6277365596424815
Energy: 1.306284698298414
Energy: 0.6323962564437252
Energy: 1.027482422177808
Energy: 0.632396256446216
Energy: 1.4192950998690985
Energy: 0.49235960822299574
Energy: 1.0292292471514966
Energy: 0.4923596081224156
Energy: 1.1354164571705996
Energy: 0.49373093962921616
Energy: 0.86315939362103
Energy: 0.493730939628718
Energy: 1.5219035415089883
Energy: 0.49238030422000145
Energy: 0.862716136981791
Energy: 0.4923803042195033
Energy: 1.5701966244625587
Energy: 0.49293773318386624
Energy: 0.8639127795562277
Energy: 0.4929377331828926
Energy: 1.3542994635143648
Energy: 0.49666889846059664
Energy: 0.6218408764501034
Energy: 0.4966688984615929
Energy: 1.5213665002487184
Energy: 0.4924779016550358
Energy: 0.6188822379939743
Energy: 0.4924779016540395
Energy: 1.568533117385177
Energy: 0.49486335678839466
Energy: 0.627111134376051
Energy: 0.49486335679038723
Energy: 1.353845987304615
Energy: 0.4947063547194236
Energy: 0.49307794958636403
Energy: 0.4947063547194236
Energy: 1.4188702572446439
Energy: 0.4927456244698222
Energy: 0.49336581678550595
Energy: 0.4927456244733093
Energy: 1.4617161062632824
Energy: 0.4932671652613699
Energy: 0.492802996275964
Energy: 0.49326716526236614

minimum gb energy = 0.4897584174753889 eV
minimum distance =  2.48390529861731 Angstroms
sigma value = 113


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

Energy: 0.01473175293091369
Energy: 0.42298919448340644
Energy: 1.2554702214918687
Energy: 0.0163791933466644
Energy: 0.931003127006807
Energy: 0.10765006195381796
Energy: 0.9316704317794107
Energy: 0.10765006195417964
Energy: 0.015608081200531934
Energy: 0.1063144941196172
Energy: 0.9313016534333993
Energy: 0.10631449412036183
Energy: 0.01677017318812045
Energy: 0.10594173756993638
Energy: 0.9298275836387396
Energy: 0.10594173756955343
Energy: 0.9332372466252895
Energy: 0.10839226009703393
Energy: 0.9324394080037907
Energy: 0.10839226009816151
Energy: 0.015429927860678672
Energy: 0.10592603227985113
Energy: 0.9300839036776803
Energy: 0.10592603227836189

minimum gb energy = 0.01473175293091369 eV
minimum distance =  2.71823817098671 Angstroms
sigma value = 1