Model name: model_name=MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999997019768
cohesive_energy=3.3532637301406303
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010347036369676698
Energy: 0.010950041039417468
Energy: 0.8861548967740455
Energy: 0.010950041039917185
Energy: 0.010950041039917185
Energy: 0.7294730739129667
Energy: 0.010950041039417468
Energy: 0.7294730739129667
Energy: 0.917838814982757
Energy: 0.010950041039417468
Energy: 0.010347036369676698
Energy: 0.010950041039917185
Energy: 0.010950041039917185
Energy: 0.7294730739129667
Energy: 0.010950041039917185
Energy: 0.7294730739129667

minimum gb energy = 0.010347036369676698 eV
minimum distance =  2.59843694529263 Angstroms
sigma value = 1


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

Energy: 0.6938873401722795
Energy: 0.6814348591051905
Energy: 0.7786970981643206
Energy: 0.6814348591033723
Energy: 0.6974103318218241
Energy: 0.7611966936886887
Energy: 0.6971140535118849
Energy: 0.7611966936886887
Energy: 0.6851928193565642
Energy: 0.6630242550082223
Energy: 0.6807940884407178
Energy: 0.6630242550076162
Energy: 0.6761361569782085
Energy: 0.6992323873289852
Energy: 0.6732686261501617
Energy: 0.6992323873289852
Energy: 0.6562632166417998
Energy: 0.6876903544967603
Energy: 0.7867457182899779
Energy: 0.6876903544967603
Energy: 0.6760054678582702
Energy: 0.7461394312526607
Energy: 0.6368171675274129
Energy: 0.7461394312526607
Energy: 0.6927935554846674
Energy: 0.6686757480247867
Energy: 0.6793880283500435
Energy: 0.6686757480253926
Energy: 0.6408534300355565
Energy: 0.6851668741120915
Energy: 0.6098234513379938
Energy: 0.6851668741126975
Energy: 0.6706036301165795
Energy: 0.7998517568350632
Energy: 0.7456423127493679
Energy: 0.799851755568394
Energy: 0.6255222882344857
Energy: 0.6624656580690079
Energy: 0.6266894887962629
Energy: 0.6624656580695865
Energy: 0.6758642185640482
Energy: 0.6809299042835522
Energy: 0.6712479401732996
Energy: 0.6809211415331897
Energy: 0.6901448520085154
Energy: 0.6852172792013147
Energy: 0.6372155745353033
Energy: 0.6852172792007087
Energy: 0.6984637297602534
Energy: 0.6615858895063155
Energy: 0.8217507709858874
Energy: 0.6615858895063155
Energy: 0.6717398084866677
Energy: 0.6744725992478781
Energy: 0.6948328818759337
Energy: 0.6744725992478781
Energy: 0.6723606692320169
Energy: 0.6877381452396374
Energy: 0.74222595134078
Energy: 0.6877381452396374
Energy: 0.7436609965913283
Energy: 0.6885473563469996
Energy: 0.7114716177977941
Energy: 0.6885473563469996
Energy: 0.6834874329003799
Energy: 0.6629779805151168
Energy: 0.6560076754943984
Energy: 0.6629779805157227
Energy: 0.6979821394517775
Energy: 0.6696095145289642
Energy: 0.8139369236750047
Energy: 0.6696095145253279
Energy: 0.6654225563650246
Energy: 0.6836311240101817
Energy: 0.6357284115049443
Energy: 0.6836311240101817
Energy: 0.7689912598600748
Energy: 0.7741212904909247
Energy: 0.6688295885559417
Energy: 0.7741212898760609
Energy: 0.640050387860922
Energy: 0.6630485002697344
Energy: 0.6432344823535351
Energy: 0.6630485002697344
Energy: 0.6704339920191168
Energy: 0.832576883101462
Energy: 0.7325483183477381
Energy: 0.832576883101462
Energy: 0.706477783932474
Energy: 0.6874328165412922
Energy: 0.644905228130216
Energy: 0.6874328165412922
Energy: 0.7108387893894015
Energy: 0.6653057824185794
Energy: 0.674142320696068
Energy: 0.6653057824185794
Energy: 0.6796532910241968
Energy: 0.7695318220809468
Energy: 0.718087564750251
Energy: 0.7695318220809468
Energy: 0.6578354108666838
Energy: 0.6852025655945894
Energy: 0.6992863707543943
Energy: 0.6852025655945894
Energy: 0.6839714881742797
Energy: 0.7893295296538704
Energy: 0.6696468949015847
Energy: 0.7893295413611588
Energy: 0.6889591635266656
Energy: 0.6613640062601074
Energy: 0.6658545055028221
Energy: 0.6613640062601074
Energy: 0.6978431248538535
Energy: 0.7247678485202751
Energy: 0.678476342277491
Energy: 0.7247678486347632
Energy: 0.6865901486779774
Energy: 0.6819715814217019
Energy: 0.7065596555175245
Energy: 0.6819715814223078
Energy: 0.6948849117250361
Energy: 0.6739618142162728
Energy: 0.6988388138152042
Energy: 0.6739618142162728
Energy: 0.7475361279129263
Energy: 0.6655013076393532
Energy: 0.6761362571503545
Energy: 0.6655013076405654
Energy: 0.6749830551704166
Energy: 0.6998838984867831
Energy: 0.6729650831177888
Energy: 0.6998838984867831

minimum gb energy = 0.6098234513379938 eV
minimum distance =  2.40856150300424 Angstroms
sigma value = 1


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

Energy: 0.706096703916692
Energy: 0.7410134943031912
Energy: 0.8237383281943499
Energy: 0.7410134943031912
Energy: 0.6947803654062529
Energy: 0.7429960412373183
Energy: 0.7141973592029168
Energy: 0.7429960412380096
Energy: 0.7291250841404981
Energy: 0.7434426452266056
Energy: 0.6948581337373715
Energy: 0.7434426452266056
Energy: 0.6844738353111387
Energy: 0.7036598958879806
Energy: 0.6874560129538749
Energy: 0.7036598948781759
Energy: 0.6998197365189979
Energy: 0.7134732120280374
Energy: 0.7323593281891658
Energy: 0.7134732120273464
Energy: 0.7395819174782496
Energy: 0.7133727402736901
Energy: 0.7767320676708579
Energy: 0.7133727402743812
Energy: 0.6999363550878217
Energy: 0.7943328120976132
Energy: 0.7067044079372689
Energy: 0.7943328120983041
Energy: 0.6641456695107142
Energy: 0.7432570170323801
Energy: 0.7105090313414616
Energy: 0.7432570170323801
Energy: 0.66118735448486
Energy: 0.8782906019983662
Energy: 0.7117558593622472
Energy: 0.8782906017379842
Energy: 0.6582675475293122
Energy: 0.7433593727917979
Energy: 0.7345560398383904
Energy: 0.743359372790416
Energy: 0.7263739097143295
Energy: 0.7196398911105552
Energy: 0.7127740557998512
Energy: 0.7196398911112462
Energy: 0.6622892360255652
Energy: 0.7237472937046331
Energy: 0.6961315657960424
Energy: 0.7237472937060151
Energy: 0.7341589753256936
Energy: 0.7062683685156163
Energy: 0.7269226894038194
Energy: 0.7062683685156163
Energy: 0.7356562143502102
Energy: 0.7063858980709395
Energy: 0.8080200573336365
Energy: 0.7063858980730127
Energy: 0.6623224692606442
Energy: 0.7237591637202333
Energy: 0.6998712175443599
Energy: 0.7237591637216152
Energy: 0.6959712485123284
Energy: 0.7196226059072612
Energy: 0.7153759542647473
Energy: 0.7196226059079522
Energy: 0.6642342748346607
Energy: 0.7430536361876897
Energy: 0.6869917230451003
Energy: 0.7430536361876897
Energy: 0.6600202565718151
Energy: 0.9195455540003604
Energy: 0.7169714647810986
Energy: 0.9195455540003604
Energy: 0.6640238067336491
Energy: 0.7432617630996883
Energy: 0.7038064465225594
Energy: 0.7432617630996883
Energy: 0.6990254805993068
Energy: 0.7577844156577628
Energy: 0.6843946472778742
Energy: 0.7577531112801099
Energy: 0.7716049712359608
Energy: 0.7133875893262446
Energy: 0.6813516843414374
Energy: 0.7133875893276265
Energy: 0.6981900483451914
Energy: 0.7134483649544329
Energy: 0.8232886366208803
Energy: 0.7134483649537419
Energy: 0.6696681467437889
Energy: 0.728330280065736
Energy: 0.7043655852136484
Energy: 0.728330280064354
Energy: 0.7291437088734068
Energy: 0.7434386926441289
Energy: 0.6974053317573551
Energy: 0.7434386926434379
Energy: 0.6954230442138362
Energy: 0.7430676111410489
Energy: 0.7132916681539112
Energy: 0.7430676111396669
Energy: 0.7060967040506835
Energy: 0.7410134943031912
Energy: 0.8041130944583181
Energy: 0.7410134943031912
Energy: 0.6947803654048709
Energy: 0.7429960412373183
Energy: 0.7141973592029168
Energy: 0.7429960412380096
Energy: 0.7291250841411892
Energy: 0.7434426452266056
Energy: 0.6948581337726125
Energy: 0.7434426452259146
Energy: 0.6844738353139027
Energy: 0.7036598966995621
Energy: 0.687456012954566
Energy: 0.7036598966650122

minimum gb energy = 0.6582675475293122 eV
minimum distance =  1.9161266514126 Angstroms
sigma value = 25


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

Energy: 0.7295543040246838
Energy: 0.7643869781006982
Energy: 0.7639107087491667
Energy: 0.7643869781015016
Energy: 0.7386017116029732
Energy: 0.756097442866007
Energy: 0.7356669789828824
Energy: 0.756097442866007
Energy: 0.775129488919896
Energy: 0.8131751124204085
Energy: 0.6945191990067774
Energy: 0.8131751124204085
Energy: 0.6761870462373063
Energy: 0.78308210608288
Energy: 0.7116318678461467
Energy: 0.78308210608288
Energy: 0.7144622306977358
Energy: 0.7675586558140465
Energy: 0.83389937760152
Energy: 0.7675586558140465
Energy: 0.698183293415625
Energy: 0.8108628908205453
Energy: 0.8133578087888521
Energy: 0.8108628908205453
Energy: 0.8284319640723852
Energy: 0.8425542449725276
Energy: 0.7512945839525164
Energy: 0.8425542449982142
Energy: 0.8368075897647835
Energy: 0.7670038814158399
Energy: 0.7169119087880268
Energy: 0.7670038814158399
Energy: 0.7622361178943299
Energy: 0.7308422989268482
Energy: 0.7728046757643202
Energy: 0.7308422440627611
Energy: 0.7148688808468169
Energy: 0.8138485640194305
Energy: 0.697769016570393
Energy: 0.8138485640202336
Energy: 0.7326040506034098
Energy: 0.7639235818189537
Energy: 0.7723173845290692
Energy: 0.7639235818197571
Energy: 0.7376576112614273
Energy: 0.7647749774300364
Energy: 0.7750984794592649
Energy: 0.7647749774300364
Energy: 0.7206834795811475
Energy: 0.7794981811189814
Energy: 0.6988302387341672
Energy: 0.7794981811189814
Energy: 0.7682760813955892
Energy: 0.7657452049221876
Energy: 0.7452748211514376
Energy: 0.7657452049221876
Energy: 0.7266650182474382
Energy: 0.7677542120371923
Energy: 0.7156100655831878
Energy: 0.7677542120371923
Energy: 0.7305577344844196
Energy: 0.8027957738989104
Energy: 0.7111174242788001
Energy: 0.8027957739197956
Energy: 0.7006274754565219
Energy: 0.813087335773233
Energy: 0.6973545041711458
Energy: 0.813087335773233
Energy: 0.7109890921479332
Energy: 0.7505678728636056
Energy: 0.7677977378280989
Energy: 0.7505678728772611
Energy: 0.698282639057738
Energy: 0.7752084715904975
Energy: 0.713891751236016
Energy: 0.7752084715896942
Energy: 0.8711212808190355
Energy: 0.8136251516163019
Energy: 0.6921895117104091
Energy: 0.8136251516163019
Energy: 0.7383272607534604
Energy: 0.7213178845742567
Energy: 0.7330026153411169
Energy: 0.721317883670976
Energy: 0.7559096686308852
Energy: 0.7655118342037945
Energy: 0.8028102743782684
Energy: 0.7655118342037945
Energy: 0.7429834352862786
Energy: 0.7841351528309315
Energy: 0.7586021858587372
Energy: 0.7841351528309315
Energy: 0.774947730518745
Energy: 0.8123771331001821
Energy: 0.7018681940247027
Energy: 0.8123771331001821
Energy: 0.8497398834945159
Energy: 0.7677074731911778
Energy: 0.7126713658175381
Energy: 0.7677074691051464

minimum gb energy = 0.6761870462373063 eV
minimum distance =  1.90376141297653 Angstroms
sigma value = 9


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

Energy: 0.7398843708904559
Energy: 0.7428737158263993
Energy: 0.8040040905905156
Energy: 0.7428737158283156
Energy: 0.7814438416931229
Energy: 0.7622182854941485
Energy: 0.736439293435055
Energy: 0.7622182853188765
Energy: 0.8297495224972852
Energy: 0.7882288499167539
Energy: 0.7414789079193046
Energy: 0.7882288499330223
Energy: 0.88378204511835
Energy: 0.8045498732641806
Energy: 0.7657594605526152
Energy: 0.8045498732373496
Energy: 0.7642144983544003
Energy: 0.7552057177004499
Energy: 0.9075496289311024
Energy: 0.7552057177004499
Energy: 0.7275335541321085
Energy: 0.8079223062572038
Energy: 0.8653988975728538
Energy: 0.8079223062572038
Energy: 0.7627192464245075
Energy: 0.9273351423885119
Energy: 0.7642693925022532
Energy: 0.9273351423875537
Energy: 0.8033804155006485
Energy: 0.8079942083939097
Energy: 0.759346120737952
Energy: 0.8079942083939097
Energy: 0.7737982419566088
Energy: 0.7708654509287138
Energy: 0.8234706477860954
Energy: 0.7708654509287138
Energy: 0.7645112782137131
Energy: 0.8091154849836305
Energy: 0.8027626843749137
Energy: 0.8091154849845887
Energy: 0.7491722208376919
Energy: 0.708281991978884
Energy: 0.7727388279920713
Energy: 0.7082868200430037
Energy: 0.826869359120925
Energy: 0.7771054312058532
Energy: 0.7654750526890122
Energy: 0.777105431204895
Energy: 0.7275309182542156
Energy: 0.8068339633097572
Energy: 0.7682649384523239
Energy: 0.8068339633097572
Energy: 0.8283028535866174
Energy: 0.7803820131515553
Energy: 0.7206543376900424
Energy: 0.78038201261326
Energy: 0.7275326940897832
Energy: 0.7429946516167565
Energy: 0.8274230861970321
Energy: 0.7429950318652001
Energy: 0.8147652832241395
Energy: 0.777498292091082
Energy: 0.7650718085482134
Energy: 0.777498292091082
Energy: 0.7491799022128647
Energy: 0.7175074561139305
Energy: 0.6940821037842193
Energy: 0.7175074561139305
Energy: 0.7893795131421422
Energy: 0.8088576366678971
Energy: 0.8017468439410421
Energy: 0.8088576366678971
Energy: 0.7739216899164615
Energy: 0.752895118060374
Energy: 0.7656597052632849
Energy: 0.7528951180325848
Energy: 0.8055801991379613
Energy: 0.8084514993476797
Energy: 0.7593373281739444
Energy: 0.8084514993476797
Energy: 0.7638316276970291
Energy: 0.9406474392883523
Energy: 0.7640830789641837
Energy: 0.9406474392883523

minimum gb energy = 0.6940821037842193 eV
minimum distance =  2.05055976126961 Angstroms
sigma value = 25


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

Energy: 0.7887856473205515
Energy: 0.7881768127641243
Energy: 0.8356105332949165
Energy: 0.7881768127641243
Energy: 0.7645512548466051
Energy: 0.8169523841966417
Energy: 0.7826872680937351
Energy: 0.8169523841966417
Energy: 0.8845942807173126
Energy: 0.8245063858108848
Energy: 0.7478388557914784
Energy: 0.8245063858096997
Energy: 0.9279787171549577
Energy: 0.7889574647868343
Energy: 0.7398182543551725
Energy: 0.7889574647868343
Energy: 0.8038731936165248
Energy: 0.7640472372040724
Energy: 1.0700393014942673
Energy: 0.7640472649446138
Energy: 0.7492796412554859
Energy: 0.851757195009945
Energy: 0.8834716886952856
Energy: 0.851757195009945
Energy: 0.7936594354557319
Energy: 0.7196827962954359
Energy: 0.7925818773854828
Energy: 0.7196827955562827
Energy: 0.7863947182524511
Energy: 0.7859721334868073
Energy: 0.7911703560121028
Energy: 0.7859721334868073
Energy: 0.7473792578899578
Energy: 0.745342995229012
Energy: 0.765967898412112
Energy: 0.7453429952349373
Energy: 0.8030783494667045
Energy: 0.8602588035285381
Energy: 0.8832660218469177
Energy: 0.8602588035285381
Energy: 0.7906862608220565
Energy: 0.788262879045805
Energy: 0.7467219260587533
Energy: 0.788262879045805
Energy: 0.7656838491874133
Energy: 0.8508174169040995
Energy: 0.7914052565918475
Energy: 0.8508174168958041
Energy: 0.8350517009002474
Energy: 0.8392145502548457
Energy: 0.7465143592530002
Energy: 0.8392145502548457
Energy: 0.7583920522636889
Energy: 0.788499432897028
Energy: 0.7915131393461237
Energy: 0.788499432897028
Energy: 0.7575087327845667
Energy: 0.7880983033489669
Energy: 0.7948820414783787
Energy: 0.7880983033489669
Energy: 0.7846300273540717
Energy: 0.8666702251120897
Energy: 0.7491939584056192
Energy: 0.8666702251120897
Energy: 0.765590830933533
Energy: 0.7928627635780094
Energy: 0.8055201537339138
Energy: 0.7928627635791946

minimum gb energy = 0.7196827955562827 eV
minimum distance =  2.436824220727 Angstroms
sigma value = 17


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

Energy: 0.7673707091063328
Energy: 0.7882669196200573
Energy: 0.9240751213889712
Energy: 0.7882669196200573
Energy: 0.8238016203374007
Energy: 0.7739271053707802
Energy: 0.7925914169828852
Energy: 0.7739271051024382
Energy: 0.9075440658125086
Energy: 0.8353943231351866
Energy: 0.7518806291850071
Energy: 0.8353943231351866
Energy: 0.8576998148651913
Energy: 0.8359239832206536
Energy: 0.8413563451601594
Energy: 0.8359239832206536
Energy: 0.8598899792056898
Energy: 0.7925082275184806
Energy: 0.8795396779569372
Energy: 0.7925082275178096
Energy: 0.7823641201230603
Energy: 0.8131509720031278
Energy: 0.9087968302358723
Energy: 0.8131509720011448
Energy: 0.8369328243025297
Energy: 0.8062226881347089
Energy: 0.7923342300239576
Energy: 0.8062226881347089
Energy: 0.8774725648519149
Energy: 0.8361105747070036
Energy: 0.7871723329200141
Energy: 0.8361105747083459
Energy: 0.7837267177896553
Energy: 0.7419133979821453
Energy: 0.8916023284956636
Energy: 0.7419133982048789
Energy: 0.928791988142327
Energy: 0.8257479910804928
Energy: 0.7523617396365141
Energy: 0.8257479910804928
Energy: 0.7519972359262421
Energy: 0.7877830310114098
Energy: 0.8858049030511838
Energy: 0.7877830296441954
Energy: 0.7836682454855164
Energy: 0.7987605757835625
Energy: 0.8050206171769912
Energy: 0.7987605757835625
Energy: 0.89991957372432
Energy: 0.7881698374078127
Energy: 0.7758234951048117
Energy: 0.7881698374078127
Energy: 0.7535886512083432
Energy: 0.8257347073761435
Energy: 0.8241216176725761
Energy: 0.8257347073761435
Energy: 0.8263160592643113
Energy: 0.7968188695941523
Energy: 0.7699300533225885
Energy: 0.7968188695921389
Energy: 0.837451406704762
Energy: 0.8352203145328404
Energy: 0.8255099783971904
Energy: 0.8352203145328404
Energy: 0.7781466248339118
Energy: 0.8279934642500736
Energy: 0.8370534189820054
Energy: 0.8279934642500736
Energy: 0.8849039673454365
Energy: 0.7310385766685762
Energy: 0.7824519658896287
Energy: 0.7310385766236085
Energy: 0.8060714032913705
Energy: 0.7436870258404338
Energy: 0.908715280178832
Energy: 0.743687025841105
Energy: 0.7401307049118289
Energy: 0.8166329444996803
Energy: 0.9442709303069134
Energy: 0.8166329445003514
Energy: 0.8225885596767633
Energy: 0.7285175052247342
Energy: 0.8069514030043968
Energy: 0.7285175052864507
Energy: 0.7968050394490533
Energy: 0.8346199294774269
Energy: 0.8304372414453067
Energy: 0.8346199294774269
Energy: 0.8963091881288894
Energy: 0.78038254735097
Energy: 0.7493990982190677
Energy: 0.78038254735097
Energy: 0.8254793702728678
Energy: 0.7939223975982933
Energy: 0.909284103807778
Energy: 0.7939223976016492
Energy: 0.7588754286740526
Energy: 0.8189532156218642
Energy: 0.9057551034971508
Energy: 0.8189532156178372
Energy: 0.8943849107806903
Energy: 0.8012117657795476
Energy: 0.7504419380723969
Energy: 0.8012117657795476
Energy: 0.833435025841644
Energy: 0.8224867727323505
Energy: 0.8725891825319689
Energy: 0.8225047802171263
Energy: 0.8288071231604833
Energy: 0.819863653073057
Energy: 0.8132887749755728
Energy: 0.819863653073057
Energy: 0.9256703430140494
Energy: 0.8272600335798707
Energy: 0.8371149369611472
Energy: 0.8272600335778574
Energy: 0.7871287601402739
Energy: 0.7767264536052161
Energy: 0.8865632132690126
Energy: 0.776726453604545

minimum gb energy = 0.7285175052247342 eV
minimum distance =  1.9132510011272 Angstroms
sigma value = 53


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

Energy: 0.7859200701655752
Energy: 0.7620457460614228
Energy: 0.8690123017826115
Energy: 0.7620457460614228
Energy: 0.8375631298741772
Energy: 0.8082775519798223
Energy: 0.7789440647471335
Energy: 0.8082774349220349
Energy: 0.9663730248153193
Energy: 0.7598048906035985
Energy: 0.7444278079862812
Energy: 0.7591172187052927
Energy: 0.8073584147394244
Energy: 0.6793995656481187
Energy: 0.6791358807181784
Energy: 0.6793995656481187
Energy: 0.9556707460887622
Energy: 0.7645708500070212
Energy: 0.8299743998460607
Energy: 0.7645708500054761
Energy: 0.6787745696778029
Energy: 0.6788442752099307
Energy: 0.9623695358156948
Energy: 0.6788442752083855
Energy: 0.9334281829251665
Energy: 0.8082775194925131
Energy: 0.7810018432866541
Energy: 0.808277606217495
Energy: 0.9663730248153193
Energy: 0.755892764302372
Energy: 0.8011543658061538
Energy: 0.7560568265367427
Energy: 0.8073584147394244
Energy: 0.6793995656481187
Energy: 0.6791358807181784
Energy: 0.6793995656481187
Energy: 0.9556707460887622
Energy: 0.7353577198160431
Energy: 0.822998197498997
Energy: 0.7353577198160431
Energy: 0.785920070174846
Energy: 0.7620457460614228
Energy: 0.9623695358156948
Energy: 0.7620457460614228
Energy: 0.8375631298741772
Energy: 0.808277593341497
Energy: 0.7859523354228062
Energy: 0.8082775668311947
Energy: 0.9663730248153193
Energy: 0.7558959025180272
Energy: 0.8011550688973836
Energy: 0.7557666843830692

minimum gb energy = 0.6787745696778029 eV
minimum distance =  1.87164284180056 Angstroms
sigma value = 9


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

Energy: 0.7759923718773557
Energy: 0.8312123139771462
Energy: 0.955814676061013
Energy: 0.8312123139777182
Energy: 0.9180784252761193
Energy: 0.9430250838017376
Energy: 0.7692681723255367
Energy: 0.9430250838011657
Energy: 0.8188265604053283
Energy: 0.8525890371872659
Energy: 0.755706710707698
Energy: 0.8525890375411018
Energy: 0.8858400380138838
Energy: 0.8284100013434472
Energy: 0.7864230743355544
Energy: 0.8284100056408956
Energy: 1.0117100192932593
Energy: 0.8189108311092728
Energy: 0.8039090926441663
Energy: 0.8189108311098446
Energy: 0.7597482096731251
Energy: 0.8961164840342786
Energy: 0.9563527438659061
Energy: 0.8961164840337067
Energy: 0.9814448522880703
Energy: 0.8009772652426074
Energy: 0.8011753589419094
Energy: 0.8009772652431792
Energy: 0.7728373952138257
Energy: 0.8654832279316679
Energy: 0.8602208258265294
Energy: 0.8654832279322399
Energy: 0.9748489512437558
Energy: 0.8855312567385809
Energy: 0.7664073745385055
Energy: 0.8855312567385809
Energy: 0.8525205886013758
Energy: 0.7918983033069424
Energy: 0.8209307564615206
Energy: 0.7918983033075142
Energy: 0.7692906196335658
Energy: 0.8347253298265478
Energy: 0.9416418468633653
Energy: 0.8347253298425342
Energy: 0.8748041183309541
Energy: 0.9005555373207488
Energy: 0.7985672498066636
Energy: 0.9005555373207488
Energy: 0.7572077521942864
Energy: 0.8324289566868665
Energy: 0.8956865042714042
Energy: 0.8324289566874382
Energy: 0.956152488408194
Energy: 0.8436843444219944
Energy: 0.7810208000881803
Energy: 0.8436843444225662
Energy: 0.7757269811516716
Energy: 0.8662273478784939
Energy: 0.8865879598698977
Energy: 0.866227347877922
Energy: 0.7596510975760168
Energy: 0.8379347223059639
Energy: 0.8522422462050524
Energy: 0.8379311033538757
Energy: 0.8423825321013875
Energy: 0.8492271112812384
Energy: 0.7695654390946375
Energy: 0.8492271112989666
Energy: 0.7717724233006672
Energy: 0.7840347421085284
Energy: 1.015379409685313
Energy: 0.7840342982351088
Energy: 0.9462732489401984
Energy: 0.8331725288501288
Energy: 0.7615051695925757
Energy: 0.8331725288501288
Energy: 0.7707900527863553
Energy: 0.8352223687553588
Energy: 0.8299198006537084
Energy: 0.8352223687559307
Energy: 0.8585282789152464
Energy: 0.8205510327720537
Energy: 0.8493999110876294
Energy: 0.8205514823365339
Energy: 0.8887819679591025
Energy: 0.8658705912568748
Energy: 0.85920565212184
Energy: 0.865870591237431
Energy: 0.7656795309941496
Energy: 0.8351234736003021
Energy: 0.9410060618732992
Energy: 0.8351234736003021
Energy: 0.9339909910336529
Energy: 0.844830915893913
Energy: 0.7677695865093741
Energy: 0.8448309158653451
Energy: 0.7694391276585917
Energy: 0.8887954052832272
Energy: 0.9772403460794504
Energy: 0.888795405283799
Energy: 0.8299977118113934
Energy: 0.8405977630073026
Energy: 0.7518002829343884
Energy: 0.8405977630067307
Energy: 0.8788792032481166
Energy: 0.8561356384652135
Energy: 0.9268527662048534
Energy: 0.8561356384960949
Energy: 0.7771087298560472
Energy: 0.8836572911771944
Energy: 0.88481675518774
Energy: 0.8836572911777663
Energy: 0.8136078043619678
Energy: 0.7685392210120167
Energy: 0.7513390581499557
Energy: 0.7719172739787911
Energy: 0.7691051938854268
Energy: 0.9598507399266076
Energy: 0.9935118899963901
Energy: 0.9598507399243201
Energy: 0.9196746900394399
Energy: 0.8713666877853777
Energy: 0.7640496472373876
Energy: 0.8713666877853777
Energy: 0.8006203855179217
Energy: 0.8881486627261708
Energy: 0.9405217908900745
Energy: 0.8881486627261708
Energy: 0.7607170021848771
Energy: 0.8725690939058921
Energy: 0.9230578985190321
Energy: 0.8725690932948414
Energy: 0.8626000849149251
Energy: 0.8342816176260711
Energy: 0.8395536980830417
Energy: 0.8342815062350211
Energy: 0.7680033111756261
Energy: 0.8724892785732951
Energy: 0.9764367192508545
Energy: 0.8724892785732951

minimum gb energy = 0.7513390581499557 eV
minimum distance =  2.32466598086124 Angstroms
sigma value = 73


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

Energy: 0.8292327711146532
Energy: 0.8582484724521985
Energy: 0.9378588371880228
Energy: 0.8582484724521985
Energy: 0.825975288242497
Energy: 0.8384602090086994
Energy: 0.8002631513423168
Energy: 0.8384602090114215
Energy: 0.9077323875536653
Energy: 0.8576253736938365
Energy: 0.8269838011388617
Energy: 0.8576253728404105
Energy: 0.8328919402836671
Energy: 0.8770952369971057
Energy: 0.8176145954402605
Energy: 0.877095236998013
Energy: 0.9288357349683636
Energy: 0.8270723322310494
Energy: 0.8058960456953325
Energy: 0.8270723322310494
Energy: 0.8060586407738475
Energy: 0.8666261496475715
Energy: 0.9115879666493337
Energy: 0.8666261496484787
Energy: 1.0017031293009724
Energy: 0.8928333673856692
Energy: 0.8032734823293388
Energy: 0.8928333673856692
Energy: 0.7732480382412897
Energy: 0.840363350398814
Energy: 0.9101521284133967
Energy: 0.840363350398814
Energy: 0.9450044489018216
Energy: 0.7795330299452653
Energy: 0.7765698123059932
Energy: 0.7795330304767337
Energy: 0.7993240845196075
Energy: 0.8261658724873432
Energy: 0.809172145984631
Energy: 0.8261658724873432
Energy: 0.7630025169438205
Energy: 0.8546345374398244
Energy: 0.9009916136792339
Energy: 0.8546345374407318
Energy: 0.8973717581727896
Energy: 0.8464648565344483
Energy: 0.7685362618349606
Energy: 0.8464648533592892
Energy: 0.805469408926368
Energy: 0.7922375331056201
Energy: 1.0554920923191096
Energy: 0.792237533107414
Energy: 0.9049003772078604
Energy: 0.8395081368431351
Energy: 0.8039610502032289
Energy: 0.8395081368422278
Energy: 0.7976186725350971
Energy: 0.8704346495126332
Energy: 0.8165127254971627
Energy: 0.8704346495126332
Energy: 0.9250628133469908
Energy: 0.8809227109241351
Energy: 0.767513431787671
Energy: 0.8809227109232278
Energy: 0.8428474665514818
Energy: 0.8921229036750004
Energy: 0.9135570878887566
Energy: 0.8921226360209271
Energy: 0.8492929345744996
Energy: 0.8482867407075422
Energy: 0.9155216139441779
Energy: 0.8482867407084494
Energy: 0.8089521431141642
Energy: 0.8535144266680526
Energy: 0.7658896460874843
Energy: 0.8535144266671453
Energy: 0.7943384106928665
Energy: 0.8655313631930426
Energy: 1.019278594416341
Energy: 0.8655313630824102
Energy: 0.8901174530775806
Energy: 0.8745098560446093
Energy: 0.8054913996554407
Energy: 0.8745098560455166
Energy: 0.8303572859876589
Energy: 0.8276528309161036
Energy: 0.900838405435006
Energy: 0.8276528309161036

minimum gb energy = 0.7630025169438205 eV
minimum distance =  1.90767528300179 Angstroms
sigma value = 7


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

Energy: 0.7959682331384194
Energy: 0.8265953348137126
Energy: 0.9428316581760555
Energy: 0.8265953348137126
Energy: 0.9262858428932703
Energy: 0.8894700454234917
Energy: 0.7888195560041369
Energy: 0.8894700454132264
Energy: 0.8377946166820084
Energy: 0.834500575954246
Energy: 0.8674097369481764
Energy: 0.834500575954246
Energy: 0.882653527971912
Energy: 0.8422111518272297
Energy: 0.7987106878064076
Energy: 0.8422111518278712
Energy: 0.935976611170648
Energy: 0.8259199376585674
Energy: 0.8711050365534337
Energy: 0.8259199376585674
Energy: 0.7690236826979101
Energy: 0.8560303682730791
Energy: 0.9277501575517992
Energy: 0.8560303682724375
Energy: 0.9337098472236675
Energy: 0.9024672009552686
Energy: 0.8582099408227394
Energy: 0.902467200959118
Energy: 0.7691834968183318
Energy: 0.8313185084634424
Energy: 0.9413300759555884
Energy: 0.831318508464084
Energy: 0.9904190444139506
Energy: 0.816227532728202
Energy: 0.7885055294053749
Energy: 0.816227532728202
Energy: 0.8403463375516056
Energy: 0.8399716834411736
Energy: 0.8966634120810247
Energy: 0.8399716834398904
Energy: 0.8168803367757292
Energy: 0.8649174757617399
Energy: 0.8044528451041774
Energy: 0.8649174757181417
Energy: 0.8492302521808882
Energy: 0.8239320220067012
Energy: 0.9054253593126637
Energy: 0.8239320220060597
Energy: 0.7961568443340271
Energy: 0.825822271971608
Energy: 0.9134558087728541
Energy: 0.8258222719703249
Energy: 0.8557430582626179
Energy: 0.8803240095904353
Energy: 0.8024710266839421
Energy: 0.880324009589152
Energy: 0.777901236602108
Energy: 0.8829975799982179
Energy: 0.9437813603201455
Energy: 0.8829975799988596
Energy: 0.9048458921205557
Energy: 0.8126158956561185
Energy: 0.7882374331166054
Energy: 0.8126158956561185
Energy: 0.7824925155116265
Energy: 0.8229157982419034
Energy: 0.9305520502913311
Energy: 0.822915798242545
Energy: 0.8258234815588891
Energy: 0.9057440715320615
Energy: 0.9047224429743863
Energy: 0.9057434674028343
Energy: 0.7598763278841861
Energy: 0.8714445951955592
Energy: 0.9075112903491861
Energy: 0.8714445951949177
Energy: 0.8307134295226893
Energy: 0.8304990027441872
Energy: 0.913994436709106
Energy: 0.8304990027441872
Energy: 0.9218400612603193
Energy: 0.8554334405909877
Energy: 0.7911680064528502
Energy: 0.8554334405922708
Energy: 0.7739740596206672
Energy: 0.8253125814769994
Energy: 0.8290462338949277
Energy: 0.8253125814757163
Energy: 0.9007469345383351
Energy: 0.8134097864656982
Energy: 0.8284120454544058
Energy: 0.8134097864656982
Energy: 0.814556833400217
Energy: 0.8131079490047712
Energy: 0.9462695080711307
Energy: 0.8131079490041295
Energy: 0.8212931011548738
Energy: 0.832836282928358
Energy: 0.8312356810762803
Energy: 0.8328362829257917
Energy: 0.7955678051101067
Energy: 0.8450066985588571
Energy: 0.8264399362261199
Energy: 0.8450066985588571
Energy: 0.8567602699506466
Energy: 0.842885671419448
Energy: 0.8839109991490175
Energy: 0.8428856714188067
Energy: 0.9113076583175502
Energy: 0.8136443807670366
Energy: 0.7911456768514592
Energy: 0.8136443807689613
Energy: 0.7697556296662149
Energy: 0.8792903321680616
Energy: 0.9172136600800075
Energy: 0.8792903326182461
Energy: 0.9049019825595788
Energy: 0.8850149220873902
Energy: 0.7935585280548223
Energy: 0.8824961219329187
Energy: 0.7697551220197052
Energy: 0.8797084379274208
Energy: 0.8634529264196569
Energy: 0.8797084379254961

minimum gb energy = 0.7598763278841861 eV
minimum distance =  1.85471884250326 Angstroms
sigma value = 29


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

Energy: 0.7927384885964096
Energy: 0.7132157619141258
Energy: 0.7671614397808041
Energy: 0.7132157619136789
Energy: 0.8085910157806743
Energy: 0.7778906313011111
Energy: 0.8066907247059643
Energy: 0.7778906719864923
Energy: 0.7573337992816596
Energy: 0.7760611804891213
Energy: 0.7665294395424159
Energy: 0.7760611804888979
Energy: 0.7927466298576739
Energy: 0.7188233784436577
Energy: 0.8232086484675707
Energy: 0.7188233784436577
Energy: 0.7928601124921122
Energy: 0.7258912845948269
Energy: 0.8079540156534946
Energy: 0.7258912845946284
Energy: 0.7780724156661146
Energy: 0.7698611445111548
Energy: 0.7780034877867982
Energy: 0.7698611445115771
Energy: 0.7577720301561646
Energy: 0.7258752194139475
Energy: 0.7928484508674237
Energy: 0.7258752194141709
Energy: 0.8231378191521749
Energy: 0.7188487980742528
Energy: 0.7927376783987414
Energy: 0.7188487980740292
Energy: 0.766502025793581
Energy: 0.7761832162992439
Energy: 0.8080298926872519
Energy: 0.7761832162992439

minimum gb energy = 0.7132157619136789 eV
minimum distance =  2.42708796299152 Angstroms
sigma value = 5


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

Energy: 0.781200167125512
Energy: 0.8586722591409321
Energy: 0.8730105919696378
Energy: 0.8586722591154781
Energy: 0.8914819668851528
Energy: 0.8181113221753522
Energy: 0.7492948989779905
Energy: 0.8181126981653702
Energy: 0.7500305585992485
Energy: 0.8282598991941557
Energy: 0.8794031766370026
Energy: 0.8282598991947617
Energy: 0.8469240699102091
Energy: 0.8277739606594969
Energy: 0.7620674081372915
Energy: 0.8277739598653253
Energy: 0.7589385408389256
Energy: 0.8510613679518627
Energy: 0.8471771224084688
Energy: 0.8510613679518627
Energy: 0.8211229151436401
Energy: 0.8253112701926657
Energy: 0.7464931167567088
Energy: 0.8253112698328381
Energy: 0.7653428198344229
Energy: 0.8535913499796323
Energy: 0.819191205715364
Energy: 0.8535913499790262
Energy: 0.748042939357367
Energy: 0.8403685070000284
Energy: 0.8179156978595459
Energy: 0.8403688509252755
Energy: 0.7595989516932141
Energy: 0.8420704320880931
Energy: 0.8187985646222693
Energy: 0.8420704320893052
Energy: 0.7601504376725935
Energy: 0.894141099732507
Energy: 0.8290219316989555
Energy: 0.8941410997331131
Energy: 0.7648259055154745
Energy: 0.8915679084784591
Energy: 0.747933445392557
Energy: 0.8915679084784591
Energy: 0.7464595920985214
Energy: 0.8725284075327766
Energy: 0.8935385016745062
Energy: 0.8725284075321706
Energy: 0.8461474818158538
Energy: 0.8348713999628402
Energy: 0.7650260258316688
Energy: 0.8348713999628402
Energy: 0.7601936522552395
Energy: 0.8589960358544386
Energy: 0.9618676055231543
Energy: 0.8589960358471661
Energy: 0.8686504869550773
Energy: 0.8327140593142659
Energy: 0.7482984690022689
Energy: 0.8327140419356849
Energy: 0.7600640567104229
Energy: 0.8338135798225047
Energy: 0.9200302907215677
Energy: 0.8338135795171939
Energy: 0.8950434553886246
Energy: 0.8570392712999916
Energy: 0.7481224787946634
Energy: 0.8570392712987794
Energy: 0.7651952556894573
Energy: 0.8390336145918138
Energy: 0.879905878240093
Energy: 0.8390336145924199
Energy: 0.829416463824804
Energy: 0.8227630957734269
Energy: 0.7462045217471299
Energy: 0.8227630957728207
Energy: 0.7915705962747771
Energy: 0.8535467850151658
Energy: 0.7708467162429739
Energy: 0.8332221185893925
Energy: 0.7721508953420805
Energy: 0.8527278699493532
Energy: 0.7653260987802271
Energy: 0.8527278699487472
Energy: 0.7631776861211635
Energy: 0.846142261757563
Energy: 0.7583737129884606
Energy: 0.8461422617569571
Energy: 0.7432357119116952
Energy: 0.8462074499171207
Energy: 0.7359434162948939
Energy: 0.8462074499498198
Energy: 0.8476232813428709
Energy: 0.8649946313876407
Energy: 0.8088102445237094
Energy: 0.8649946283890224
Energy: 0.8351956669045607
Energy: 0.8302795439048036
Energy: 0.8282324802258727
Energy: 0.8302795438902584
Energy: 0.7578154319408618
Energy: 0.8397249939310599
Energy: 0.761543688593493
Energy: 0.8397249939298478
Energy: 0.7451334241244868
Energy: 0.8446969056559143
Energy: 0.9126976212435373
Energy: 0.8446969056571263
Energy: 0.8741633100506028
Energy: 0.7913551522957163
Energy: 0.7589156401528754
Energy: 0.8037087634605988
Energy: 0.7480948183784404
Energy: 0.8171639004231064
Energy: 0.8996430319386531
Energy: 0.8171639420571295
Energy: 0.8605092526485513
Energy: 0.8448983420804212
Energy: 0.7640172774639348
Energy: 0.8448983420804212
Energy: 0.7514849587075566
Energy: 0.827980041882213
Energy: 0.9354694571563886
Energy: 0.8279800418840311
Energy: 0.8592420850964579
Energy: 0.8883673475762708
Energy: 0.7470746464876731
Energy: 0.8883673475750588
Energy: 0.7592264911185607
Energy: 0.8267181926080606
Energy: 0.8426608856931947
Energy: 0.8281635221331565

minimum gb energy = 0.7359434162948939 eV
minimum distance =  1.90058943539259 Angstroms
sigma value = 1


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

Energy: 0.7260108627779447
Energy: 0.7939981187447244
Energy: 0.8406569840534308
Energy: 0.7939981187447244
Energy: 0.7808010385222454
Energy: 0.7689685341409372
Energy: 0.7200468732375637
Energy: 0.7689685341870061
Energy: 0.709129159473103
Energy: 0.8189953981926854
Energy: 1.000150995099483
Energy: 0.8189953982052547
Energy: 0.8515274429601584
Energy: 0.8197170396246539
Energy: 0.7267145997580379
Energy: 0.8197170396246539
Energy: 0.7085478322104825
Energy: 0.8678283975915595
Energy: 0.8222320898795463
Energy: 0.8678283975915595
Energy: 0.8205325449228652
Energy: 0.7942442335395185
Energy: 0.7191123730045097
Energy: 0.7942474687131945
Energy: 0.7024063136123321
Energy: 0.8589863090184716
Energy: 0.7379365376696357
Energy: 0.8589863090193096
Energy: 0.7039389061744596
Energy: 0.8191385101040245
Energy: 0.7114599814234903
Energy: 0.8205835634686914
Energy: 0.726088187500827
Energy: 0.771193351312389
Energy: 0.8070690779527007
Energy: 0.7711933211448764
Energy: 0.7261730456150961
Energy: 0.8703776924986503
Energy: 0.7221147978966234
Energy: 0.8703776924978124
Energy: 0.7040819693020125
Energy: 0.8591270128149732
Energy: 0.8338361190644502
Energy: 0.8591270128166493
Energy: 0.7024074628168107
Energy: 0.8599225743665361
Energy: 0.7389336093319797
Energy: 0.8599225743656982
Energy: 0.8181252189643523
Energy: 0.7975728271854718
Energy: 0.7191128998473435
Energy: 0.797572826153559
Energy: 0.7084859501383707
Energy: 0.8674482367292826
Energy: 0.804612269250092
Energy: 0.8674482367292826
Energy: 0.8515691659506062
Energy: 0.7599735095644898
Energy: 0.7266251098840499
Energy: 0.7599732370686135
Energy: 0.7088929491279388
Energy: 0.8138101233325286
Energy: 0.9034421663082793
Energy: 0.8138101237077645
Energy: 0.7817054839014133
Energy: 0.7758533655611393
Energy: 0.726470538056995
Energy: 0.7758533655502459
Energy: 0.7260108627787827
Energy: 0.7939981187455623
Energy: 0.9061562427380452
Energy: 0.7939981187447244
Energy: 0.7808011817217598
Energy: 0.7689685347054765
Energy: 0.7200477479895612
Energy: 0.7689685343411151
Energy: 0.709129159473103
Energy: 0.8189953981968752
Energy: 1.000150995099483
Energy: 0.8189953982211761
Energy: 0.8515274416568598
Energy: 0.8197170396254919
Energy: 0.7267145997571998
Energy: 0.8197170396238159
Energy: 0.7085478322104825
Energy: 0.8678283975923975
Energy: 0.8222320952861958
Energy: 0.8678283975915595
Energy: 0.8205325448064457
Energy: 0.7941946338024856
Energy: 0.7191123730045097
Energy: 0.7941885389922496
Energy: 0.7024063136131702
Energy: 0.8589863090184716
Energy: 0.7379365376696357
Energy: 0.8589863090193096

minimum gb energy = 0.7024063136123321 eV
minimum distance =  1.95989414024495 Angstroms
sigma value = 17


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

Energy: 0.7154685445948779
Energy: 0.8278162622261588
Energy: 0.9337567637554959
Energy: 0.8278162622261588
Energy: 0.8651498407828073
Energy: 0.82266926803612
Energy: 0.7082275983768951
Energy: 0.8226692680185104
Energy: 0.7051236449332027
Energy: 0.8157124953005044
Energy: 0.9275114710306502
Energy: 0.8157124953771107
Energy: 0.9427592898627639
Energy: 0.7942959395708804
Energy: 0.7025061155155619
Energy: 0.7942959523181163
Energy: 0.6936870081110376
Energy: 0.8517749298067628
Energy: 0.8101360126927859
Energy: 0.8517749298109063
Energy: 0.87731991526774
Energy: 0.9027638182207506
Energy: 0.7157599287674625
Energy: 0.9027638182207506
Energy: 0.7196914831574969
Energy: 0.852835484901415
Energy: 0.7142184463751099
Energy: 0.8528354849008971
Energy: 0.7554885129598792
Energy: 0.7890043398006416
Energy: 0.6913010940515364
Energy: 0.7890043627103249
Energy: 0.7116589164809172
Energy: 0.8086231732120825
Energy: 0.7524476217024987
Energy: 0.8086231616544792
Energy: 0.7160250587394275
Energy: 0.8842618738603288
Energy: 0.7832363067511863
Energy: 0.8842618738603288
Energy: 0.705141682796193
Energy: 0.8188520006196208
Energy: 0.7425686441541537
Energy: 0.8188520006071904
Energy: 0.7066508357957565
Energy: 0.8176840172038075
Energy: 0.7408818310424069
Energy: 0.8176840172038075
Energy: 0.7431304242330196
Energy: 0.8295334705613764
Energy: 0.6981662583725864
Energy: 0.8295334728325363
Energy: 0.6964249995321464
Energy: 0.821011865024823
Energy: 0.7345439163719711
Energy: 0.8210118628774479
Energy: 0.7642732557201871
Energy: 0.7633513494796813
Energy: 0.7220764010607995
Energy: 0.76335076828323
Energy: 0.7043435650681291
Energy: 0.8318575012080142
Energy: 0.8749139483753039
Energy: 0.8318575012080142
Energy: 0.8440356510530638
Energy: 0.7872695948384321
Energy: 0.6991467583425344
Energy: 0.7872695949342016
Energy: 0.6996475474524491
Energy: 0.7789597484024844
Energy: 0.8770007941821973
Energy: 0.7790226359419355
Energy: 0.959449190124649
Energy: 0.8583897799741355
Energy: 0.7050232276054966
Energy: 0.8583897799741355
Energy: 0.7123433825091972
Energy: 0.7997233537810082
Energy: 0.8994682866082513
Energy: 0.7997233537820441
Energy: 1.0468160828230069
Energy: 0.8215856156197493
Energy: 0.7013937496307721
Energy: 0.8215856142571757
Energy: 0.7002653447341322
Energy: 0.7889364422201551
Energy: 1.0062684212453705
Energy: 0.7889364462530226
Energy: 0.9122921836569524
Energy: 0.7757464973485944
Energy: 0.7136005777918771
Energy: 0.7757465433191018
Energy: 0.7047795215255563
Energy: 0.7627245574753843
Energy: 0.7845566048003769
Energy: 0.7627246218262504
Energy: 0.8708491105310958
Energy: 0.8436607650428027
Energy: 0.701023620684057
Energy: 0.8436607650422849
Energy: 0.6981127653183683
Energy: 0.8424429016245736
Energy: 0.8218365886642561
Energy: 0.8424429016245736
Energy: 0.7782028795437367
Energy: 0.8289462437816142
Energy: 0.7279919052261388
Energy: 0.8289462437867934
Energy: 0.7245488546957619
Energy: 0.7638614583623021
Energy: 0.7598759936312063
Energy: 0.7638694359869709
Energy: 0.7155386606048627
Energy: 0.8541519749498369
Energy: 0.7481740150810272
Energy: 0.8541519749498369
Energy: 0.6982889563871728
Energy: 0.8149260952084757
Energy: 0.7523976377277493
Energy: 0.8149259818606626
Energy: 0.7009290295578027
Energy: 0.8412521201576604
Energy: 0.6983295443194688
Energy: 0.8412521201571426
Energy: 0.7436069211642765
Energy: 0.8137080415018756
Energy: 0.7022492043259865
Energy: 0.8137080415018756
Energy: 0.7043325939960724
Energy: 0.8585232378430444
Energy: 0.8515181201161337
Energy: 0.8585232378409726
Energy: 0.7624964835695478
Energy: 0.7928320545038521
Energy: 0.7143279924510816
Energy: 0.7928320544303064
Energy: 0.7107236489153136
Energy: 0.8381702616799875
Energy: 0.7935166433148453
Energy: 0.8381702616794696
Energy: 0.733656040307169
Energy: 0.7482634302461373
Energy: 0.7188904073345641
Energy: 0.7482634855466408
Energy: 0.7135500721952135
Energy: 0.7972397668786747
Energy: 0.9327252387842652
Energy: 0.7972407368174688
Energy: 0.8274772410915908
Energy: 0.8843702043423375
Energy: 0.7004416521047266
Energy: 0.8843702043428555

minimum gb energy = 0.6913010940515364 eV
minimum distance =  2.0543530224655 Angstroms
sigma value = 89


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

Energy: 0.7567518177071257
Energy: 0.8044812682459729
Energy: 0.9756285121979025
Energy: 0.8044812682459729
Energy: 1.0504363885475345
Energy: 0.6940608242793962
Energy: 0.6297510640929969
Energy: 0.6940608242915927
Energy: 0.6746751016019834
Energy: 0.7357707556357439
Energy: 0.7346067194213722
Energy: 0.7357707555571751
Energy: 0.9594957553871462
Energy: 0.7006460375072725
Energy: 0.6741884876445591
Energy: 0.7006460375072725
Energy: 0.6417125208070236
Energy: 0.6957256325191238
Energy: 0.9307613886071316
Energy: 0.6957256325570377
Energy: 0.8221094596322709
Energy: 0.7477065884698703
Energy: 0.6290566454930352
Energy: 0.747706588468515
Energy: 0.6691214324308726
Energy: 0.7210664571940809
Energy: 0.6416654458952652
Energy: 0.7210664566712179
Energy: 0.9049711588979296
Energy: 0.7002260536246258
Energy: 0.674174133829081
Energy: 0.7002260536246258
Energy: 0.6742172799073162
Energy: 0.6864435854633053
Energy: 0.8782009137376875
Energy: 0.686443585478212
Energy: 0.6999608885638917
Energy: 0.6966383160367468
Energy: 0.7856845923186245
Energy: 0.6966383160353915
Energy: 0.7490370048524492
Energy: 0.6760326093048888
Energy: 0.6295615887885893
Energy: 0.6760210441103852
Energy: 0.8223113188486515
Energy: 0.7265563236112754
Energy: 0.6432655480152666
Energy: 0.7265563236112754
Energy: 0.6681330552718475
Energy: 0.727885184435833
Energy: 0.6967384629386589
Energy: 0.7278851844344778
Energy: 0.7538188960734923
Energy: 0.7015004574362483
Energy: 0.8520440431457998
Energy: 0.7015004574186621
Energy: 0.8160071919081977
Energy: 0.6831792063407528
Energy: 0.6685054409352352
Energy: 0.6831789526877706

minimum gb energy = 0.6290566454930352 eV
minimum distance =  1.9147372925013 Angstroms
sigma value = 13


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

Energy: 0.6402474037742407
Energy: 0.6580780254145054
Energy: 1.0142190867578582
Energy: 0.6586017978213766
Energy: 0.9589395093288884
Energy: 0.7398089240533215
Energy: 0.6241721425790291
Energy: 0.7398089240561616
Energy: 0.6314379243011047
Energy: 0.6390188811633111
Energy: 0.9849387128882615
Energy: 0.6527482326274306
Energy: 0.8847568788540207
Energy: 0.71341839571682
Energy: 0.6213594831716894
Energy: 0.7134183932380168
Energy: 0.6368393369487028
Energy: 0.707551167531428
Energy: 0.9700675450147765
Energy: 0.7075447302822319
Energy: 0.8441581162328043
Energy: 0.736230803384886
Energy: 0.6243654674245002
Energy: 0.7362308033065537
Energy: 0.6368659880018862
Energy: 0.7918217047452603
Energy: 0.7810740146985934
Energy: 0.7918217047446922
Energy: 0.9181791793384266
Energy: 0.7988800745112921
Energy: 0.6243708280536799
Energy: 0.7988800743483536
Energy: 0.6367997599733851
Energy: 0.69694440537447
Energy: 0.7669478392252935
Energy: 0.6969446375685197
Energy: 0.6367523603037947
Energy: 0.7938175585876073
Energy: 0.6213744442367108
Energy: 0.7938175639278391
Energy: 0.6336451572766075
Energy: 0.7308304318912352
Energy: 0.7593588692075512
Energy: 0.7308304316794488
Energy: 0.8351684380935541
Energy: 0.7971645331852867
Energy: 0.6206352158661058
Energy: 0.7971645331807428
Energy: 0.648473921062081
Energy: 0.7216751602282093
Energy: 0.8395144659583239
Energy: 0.7216755419829081
Energy: 0.7937925437551246
Energy: 0.81283962047257
Energy: 0.6205935642911681
Energy: 0.8128396204691619
Energy: 0.6337838001532744
Energy: 0.7705457013320842
Energy: 0.7999801210182498
Energy: 0.7705457013309482
Energy: 0.619375884996304
Energy: 0.6734587813770693
Energy: 0.6193429174987263
Energy: 0.6742408179456733
Energy: 0.6109970660444023
Energy: 0.7822455938255233
Energy: 0.6200546103361706
Energy: 0.7822455938272272
Energy: 0.6198082477860426
Energy: 0.7234037082793703
Energy: 0.62224995265973
Energy: 0.7234037082782343
Energy: 0.6356176460087373
Energy: 0.7601833896513718
Energy: 0.6222663779512339
Energy: 0.7601833896473957
Energy: 0.6355670085956978
Energy: 0.7113793193290887
Energy: 0.6222817659994178
Energy: 0.7100594746549844
Energy: 0.6198248985744381
Energy: 0.6935413138686116
Energy: 0.6222621593397724
Energy: 0.6940259113274256
Energy: 0.611242633616544
Energy: 0.6784216246373531
Energy: 0.6197298075833907
Energy: 0.682291445495493
Energy: 0.6196131334808027
Energy: 0.7881634103313613
Energy: 0.6193995879722808
Energy: 0.7881634111591179
Energy: 0.6338485006042758
Energy: 0.6652387504402615
Energy: 0.7135632768174008
Energy: 0.662915557299247
Energy: 0.7888643826043354
Energy: 0.7392091533018041
Energy: 0.6201451821035622
Energy: 0.7392091529566152
Energy: 0.6486805661970814
Energy: 0.6975275809274586
Energy: 0.7118432236739938
Energy: 0.6975275816076384
Energy: 0.7481887450261719
Energy: 0.8103508347647048
Energy: 0.6208024386001724
Energy: 0.8103508347624327
Energy: 0.6336402893916834
Energy: 0.7037886355322466
Energy: 0.6116017803497654
Energy: 0.7037676861600167
Energy: 0.6365787515177198
Energy: 0.8043851562253995
Energy: 0.6213649229409415
Energy: 0.8043851562242635
Energy: 0.6366981123692522
Energy: 0.6550964944598149
Energy: 0.8726157072659475
Energy: 0.6551372189799289
Energy: 0.9230245229499047
Energy: 0.6695185704260942
Energy: 0.6243620640488191
Energy: 0.6693977206422779
Energy: 0.6368562206919582
Energy: 0.657108474341289
Energy: 0.7696679871255294
Energy: 0.6644930552424332
Energy: 0.8290649627717902
Energy: 0.6978088123309918
Energy: 0.6244441182763198
Energy: 0.69781148336831
Energy: 0.6368259480884435
Energy: 0.711763427173465
Energy: 0.8271459984981363
Energy: 0.6745233026678489
Energy: 0.8778713761893655
Energy: 0.6554339242342284
Energy: 0.6213558050248665
Energy: 0.6555060122288879

minimum gb energy = 0.6109970660444023 eV
minimum distance =  1.92160372419853 Angstroms
sigma value = 37


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

Energy: 0.5988660368988167
Energy: 0.5989338611484701
Energy: 0.9254907791628113
Energy: 0.5989338611484701
Energy: 0.7880449907407134
Energy: 0.6341431942292436
Energy: 0.5703158896116463
Energy: 0.6342097399670927
Energy: 0.5794060036056615
Energy: 0.779260753132359
Energy: 0.9299063024375515
Energy: 0.779260753132359
Energy: 0.962052847536733
Energy: 0.6329798013930751
Energy: 0.5702958251302874
Energy: 0.6329798015386148
Energy: 0.5690509739717453
Energy: 0.6163047189501504
Energy: 0.9633148442044073
Energy: 0.6225372809293459
Energy: 0.927727050027282
Energy: 0.6470041176536477
Energy: 0.5641933663503494
Energy: 0.6470041201991606
Energy: 0.5941237872369421
Energy: 0.6522400770940119
Energy: 0.7264138683445535
Energy: 0.6522400711111801
Energy: 0.813222494539255
Energy: 0.5990175456859206
Energy: 0.6011870530840613
Energy: 0.5990175456859206
Energy: 0.569012629621204
Energy: 0.6460587093828116
Energy: 0.868720236890094
Energy: 0.6460587091190723
Energy: 0.8329145235507057
Energy: 0.725104514136976
Energy: 0.5641996271403772
Energy: 0.725104472417285
Energy: 0.5939365302198828
Energy: 0.6303928847351978
Energy: 0.5689540719430548
Energy: 0.6364723683838119
Energy: 0.7870197915721788
Energy: 0.6549267036976297
Energy: 0.5701860051117634
Energy: 0.6549267023750459
Energy: 0.5618352506876528
Energy: 0.6136437508835777
Energy: 0.7580248346470123
Energy: 0.6256646785246276
Energy: 0.7134506965088387
Energy: 0.7849986646957879
Energy: 0.5623594586767583
Energy: 0.7849986646957879
Energy: 0.5988198147358986
Energy: 0.669484463097352
Energy: 0.5692188567151739
Energy: 0.6694844630963748
Energy: 0.5989303499679353
Energy: 0.6238591723865656
Energy: 0.5701080548344349
Energy: 0.6099683965793682
Energy: 0.5618349704788019
Energy: 0.6831724078637789
Energy: 0.7256658216372476
Energy: 0.6831724078715967
Energy: 0.5691107935347658
Energy: 0.7558460146749256
Energy: 0.5690841913971008
Energy: 0.7558460146944701
Energy: 0.5690404359896792
Energy: 0.6947266860713837
Energy: 0.5690391957983365
Energy: 0.6947266860704064
Energy: 0.6616305075733122
Energy: 0.5908994491204724
Energy: 0.5618555753585407
Energy: 0.5908994490706563

minimum gb energy = 0.5618349704788019 eV
minimum distance =  1.9131003422065 Angstroms
sigma value = 25


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

Energy: 0.553843253361442
Energy: 0.532538593568899
Energy: 0.865319824472355
Energy: 0.5325400215441355
Energy: 0.8461815213930947
Energy: 0.5938079449301161
Energy: 0.5254609253579133
Energy: 0.5938079449011537
Energy: 0.52081812072015
Energy: 0.5208704150800603
Energy: 0.8143172858388015
Energy: 0.5208704150800603
Energy: 0.8073148555491498
Energy: 0.5889558765884195
Energy: 0.5254929047515209
Energy: 0.5889558770964252
Energy: 0.5256469696946995
Energy: 0.5861537647011934
Energy: 0.8812163077444262
Energy: 0.5861537646989041
Energy: 0.7217572742834475
Energy: 0.5959570205001319
Energy: 0.5253008764236241
Energy: 0.5959570204864311
Energy: 0.5263415474972175
Energy: 0.5901015985200135
Energy: 0.8482425258908636
Energy: 0.5901015982202603
Energy: 0.8141817070322148
Energy: 0.5894571715030917
Energy: 0.5220193256385735
Energy: 0.5894571319822222
Energy: 0.5256471055121228
Energy: 0.5719915829973071
Energy: 0.8951637563199142
Energy: 0.5719915828294979
Energy: 0.7128724066978664
Energy: 0.5510034874620607
Energy: 0.5548490440074131
Energy: 0.5510034736144497
Energy: 0.5264135787573968
Energy: 0.5934598290471298
Energy: 0.8146418184175676
Energy: 0.5934598290463666
Energy: 0.7911099852900878
Energy: 0.6560173511008126
Energy: 0.5220090748652274
Energy: 0.6557710477390317
Energy: 0.5257356821974416
Energy: 0.5591543772630169
Energy: 0.6800957503083692
Energy: 0.5328108157878313
Energy: 0.7843786926953206
Energy: 0.6848998528492567
Energy: 0.5253346085700266
Energy: 0.6848998528484936
Energy: 0.5264616767585777
Energy: 0.5522688472137951
Energy: 0.50622150586865
Energy: 0.5477865595359347
Energy: 0.7115385647633117
Energy: 0.6689792706222205
Energy: 0.5257011161252152
Energy: 0.6689792706946788
Energy: 0.5258076589350802
Energy: 0.6283744163890627
Energy: 0.5438769489076674
Energy: 0.6283744163882996
Energy: 0.7427649995561314
Energy: 0.5587846471584725
Energy: 0.5254405832317609
Energy: 0.5575132995607367
Energy: 0.5579164823174211
Energy: 0.5288132223929968
Energy: 0.7409149557191366
Energy: 0.5312070041102108
Energy: 0.7113369507495821
Energy: 0.6910739426449443
Energy: 0.5257041147875382
Energy: 0.6910739433847886
Energy: 0.5257046890139775
Energy: 0.7073020637528663
Energy: 0.7442592892129152
Energy: 0.7073020637528663
Energy: 0.5212381977747338
Energy: 0.6438491421225013
Energy: 0.5252710337455261
Energy: 0.6438491425115008
Energy: 0.5262452078539858
Energy: 0.6776790044132212
Energy: 0.7541483672623992
Energy: 0.6776790044132212
Energy: 0.5040181909841098
Energy: 0.6932552962369462
Energy: 0.5255159959149471
Energy: 0.693288032945511
Energy: 0.5252771189941018
Energy: 0.6820705229196198
Energy: 0.6769154490571981
Energy: 0.6820699809260453
Energy: 0.5740388325297539
Energy: 0.603660097255426
Energy: 0.5208365520367371
Energy: 0.6036600972470321

minimum gb energy = 0.5040181909841098 eV
minimum distance =  1.92661530835344 Angstroms
sigma value = 41


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

Energy: 0.7772864181896659
Energy: 0.5829720273382636
Energy: 0.7771869596971196
Energy: 0.582972028390671
Energy: 0.9074983026072783
Energy: 0.5432771129454829
Energy: 0.4687534192323018
Energy: 0.543277113042423
Energy: 0.5524432104130139
Energy: 0.5094405915462484
Energy: 0.8259362570008872
Energy: 0.5094404761661285
Energy: 0.7945473573329573
Energy: 0.5159504688533036
Energy: 0.4690132130363154
Energy: 0.5159505432764387
Energy: 0.5689083474845983
Energy: 0.6684033644802707
Energy: 0.712414634323965
Energy: 0.6684033644827732
Energy: 0.7634062946091269
Energy: 0.5160435022100893
Energy: 0.47431805256848675
Energy: 0.5160435021131777
Energy: 0.4727952981820042
Energy: 0.5076196791051527
Energy: 0.8305230111885571
Energy: 0.5076196793308819
Energy: 0.7422789191183173
Energy: 0.5173660881465127
Energy: 0.5248797421193336
Energy: 0.5173566852900373
Energy: 0.4709714817898574
Energy: 0.5458524540898343
Energy: 0.8505518316884969
Energy: 0.5458518817778943
Energy: 0.7007365784761739
Energy: 0.5044667578369152
Energy: 0.5742644649866648
Energy: 0.4939801089809071
Energy: 0.468013460417897
Energy: 0.5241758963206921
Energy: 0.7557318440130835
Energy: 0.5241762315165727
Energy: 0.854212369420413
Energy: 0.4931083147553247
Energy: 0.6030184855070664
Energy: 0.5210797437667971
Energy: 0.4709518037624706
Energy: 0.6102860413213231
Energy: 0.8507416831119519
Energy: 0.6102860413213231
Energy: 0.8567497930914438
Energy: 0.704589780307635
Energy: 0.5707915758301051
Energy: 0.7045898505604968
Energy: 0.46972253485423243
Energy: 0.5611970506958558
Energy: 0.8039630714659801
Energy: 0.5611970506958558
Energy: 0.9653637895790784
Energy: 0.5628569709736893
Energy: 0.5217789070421441
Energy: 0.565985558772116
Energy: 0.47672229104269476
Energy: 0.5402633483226164
Energy: 0.6457056634838466
Energy: 0.5418300358767792
Energy: 0.9180640687279406
Energy: 0.7019766464429037
Energy: 0.47430496665937777
Energy: 0.7019766464560414
Energy: 0.5220158106795709
Energy: 0.5048546356786171
Energy: 0.5557959577994546
Energy: 0.5048545426851514
Energy: 0.7231930968325941
Energy: 0.5373214242730983
Energy: 0.46945088829357956
Energy: 0.5373170301974873
Energy: 0.5385039369021578
Energy: 0.640432912932518
Energy: 0.7795505961497898
Energy: 0.6404329245022878
Energy: 0.8495219864471566
Energy: 0.6012979184660373
Energy: 0.46877050779371376
Energy: 0.6012978693066788
Energy: 0.6877271842437332
Energy: 0.5244268853784679
Energy: 0.6696580579834558
Energy: 0.5231321000337831
Energy: 0.8389083122129285
Energy: 0.5765610251415042
Energy: 0.4693917841573571
Energy: 0.5765532736460508
Energy: 0.5791624178346059
Energy: 0.644668097028284
Energy: 0.8907456663956468
Energy: 0.6446712493594144
Energy: 0.7171137954221227
Energy: 0.6884196815721612
Energy: 0.47184922943961055
Energy: 0.6884196943713274
Energy: 0.5353073659628401
Energy: 0.6453636995464538
Energy: 0.8217553597475746
Energy: 0.6453636995452023
Energy: 0.5830893588903175
Energy: 0.5612911001875613
Energy: 0.47445802389277497
Energy: 0.5612803607553726
Energy: 0.477144183161194
Energy: 0.6908820768653707
Energy: 0.7513768739317488
Energy: 0.6908820768659963
Energy: 0.5746121784453482
Energy: 0.7184433092547435
Energy: 0.531915248804159
Energy: 0.7184433092547435
Energy: 0.46810738735457763
Energy: 0.5817879397448688
Energy: 0.6768535400808307
Energy: 0.5817884483673813
Energy: 0.5037525224841984
Energy: 0.5805708853104757
Energy: 0.5864086134237437
Energy: 0.5805708003424517

minimum gb energy = 0.468013460417897 eV
minimum distance =  1.87042667777228 Angstroms
sigma value = 15


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

Energy: 0.6873309613581067
Energy: 0.5493894958388987
Energy: 0.7874332964500264
Energy: 0.5493894939376408
Energy: 0.8387929168500587
Energy: 0.49494682503849236
Energy: 0.437686246432974
Energy: 0.49495396214818915
Energy: 0.4517819148555927
Energy: 0.5117032490400385
Energy: 0.8263882955998256
Energy: 0.5117032490405683
Energy: 0.7981619670330423
Energy: 0.543670115697657
Energy: 0.43756197177808553
Energy: 0.5436701161643235
Energy: 0.43518848908644714
Energy: 0.6378407486451827
Energy: 0.8761952808812757
Energy: 0.6378407491759758
Energy: 0.7113272701619932
Energy: 0.4999596296989884
Energy: 0.43754242931031245
Energy: 0.511923462031675
Energy: 0.43698894828352924
Energy: 0.47734134865892347
Energy: 0.7750402866431512
Energy: 0.47734320367765426
Energy: 0.7050113346537286
Energy: 0.4856951887773623
Energy: 0.43760269108342015
Energy: 0.4748319151806389
Energy: 0.43888020906028025
Energy: 0.532983620246832
Energy: 0.8388784940565565
Energy: 0.5329836416985944
Energy: 0.6604974944170409
Energy: 0.5815996737376284
Energy: 0.43561857231911666
Energy: 0.5815996737381585
Energy: 0.43688873989222204
Energy: 0.5515043980578398
Energy: 0.8076498460733265
Energy: 0.5515043980827005
Energy: 0.9004676566661554
Energy: 0.5120751210497282
Energy: 0.45228309757282104
Energy: 0.5120751210491982
Energy: 0.4388750574190706
Energy: 0.5141739102070892
Energy: 0.8914008751485814
Energy: 0.5160140288012115
Energy: 0.7558945686409545
Energy: 0.6058380824398162
Energy: 0.5793971849741982
Energy: 0.6058380824403462
Energy: 0.43704450786441035
Energy: 0.506480780706473
Energy: 0.8834863773578964
Energy: 0.5064765827360543
Energy: 0.8186003031428202
Energy: 0.4805480626029583
Energy: 0.4522681965802117
Energy: 0.48054810941860737
Energy: 0.43902670204519495
Energy: 0.6031140973792363
Energy: 0.803948969470713
Energy: 0.6031141003770109
Energy: 0.9260468780805452
Energy: 0.5917593150099435
Energy: 0.4356754200415013
Energy: 0.5917593149697137
Energy: 0.43708584009984397
Energy: 0.5155529033630911
Energy: 0.7185286690588217
Energy: 0.5155529040501303
Energy: 0.8235956205678961
Energy: 0.5320660162728346
Energy: 0.4374662039462487
Energy: 0.532066013809563
Energy: 0.4389808316755998
Energy: 0.49005206685207015
Energy: 0.5581152031714842
Energy: 0.4920043637820904
Energy: 0.6220833790188303
Energy: 0.6516407972191122
Energy: 0.44113848621561697
Energy: 0.651640797219642
Energy: 0.4371570390614118
Energy: 0.548474625598979
Energy: 0.6599095759477314
Energy: 0.5488396012022312
Energy: 0.816437107669539
Energy: 0.6073847692284416
Energy: 0.4375965314758604
Energy: 0.6073847692284416
Energy: 0.4535873078260536
Energy: 0.59597788931622
Energy: 0.8712873708364824
Energy: 0.5959778893178098
Energy: 0.80958069710072
Energy: 0.6196034311041393
Energy: 0.4411949722567315
Energy: 0.6196034311195086
Energy: 0.6302977236184001
Energy: 0.5803654905482604
Energy: 0.7397329008381074
Energy: 0.5803654915028401
Energy: 0.8354537585369772
Energy: 0.5001813009985309
Energy: 0.43760262704009517
Energy: 0.5000056164315798
Energy: 0.4536021476026053
Energy: 0.5817553325464225
Energy: 0.8621202218749487
Energy: 0.5839348759248117
Energy: 0.7513658061677689
Energy: 0.6114728790301158
Energy: 0.44106162149916095
Energy: 0.6114728796483547
Energy: 0.43714743962186353
Energy: 0.580161236197188
Energy: 0.9454807478267847
Energy: 0.5801612328137369
Energy: 0.5612697630230509
Energy: 0.5045885459948407
Energy: 0.43748203216509685
Energy: 0.5045861130824071
Energy: 0.4389134240266379
Energy: 0.6235337067164505
Energy: 0.776159792321861
Energy: 0.6235337072520134
Energy: 0.42950542351626
Energy: 0.5278200702871193
Energy: 0.44119108886112257
Energy: 0.5278114519731412
Energy: 0.4341014326271153
Energy: 0.6196612839689313
Energy: 0.5891706182129565
Energy: 0.619661277122051
Energy: 0.42389357725503335
Energy: 0.530076986963147
Energy: 0.43927100064326347
Energy: 0.5300769873482454
Energy: 0.4389117164246887
Energy: 0.6709820538276721
Energy: 0.8344410278364486
Energy: 0.6709820538276721

minimum gb energy = 0.42389357725503335 eV
minimum distance =  1.90644699185911 Angstroms
sigma value = 85


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

Energy: 0.5442905056683153
Energy: 0.4934038766016861
Energy: 0.9220547404831592
Energy: 0.4934038785768332
Energy: 0.8143943843749945
Energy: 0.5047925957111724
Energy: 0.40262559933563524
Energy: 0.5047925957033583
Energy: 0.5493175963003241
Energy: 0.4706353099251646
Energy: 0.7678855064222122
Energy: 0.4706353099150733
Energy: 0.7471082404985632
Energy: 0.4769174284602364
Energy: 0.4025766699682671
Energy: 0.4769174284519628
Energy: 0.4213660053135147
Energy: 0.4292378598539
Energy: 0.7400938108370178
Energy: 0.42923725049133366
Energy: 0.7191426737961937
Energy: 0.4670869279498907
Energy: 0.4026059432426782
Energy: 0.4670869100182896
Energy: 0.40026162475600063
Energy: 0.4927447524371088
Energy: 0.6835639843007565
Energy: 0.4927447524375685
Energy: 0.6897700975938463
Energy: 0.4911832437337572
Energy: 0.4025676595241234
Energy: 0.49118324373513617
Energy: 0.4021858332340285
Energy: 0.4906866611603699
Energy: 0.6944291186357548
Energy: 0.4906866611603699
Energy: 0.6496258938483601
Energy: 0.5012266640049553
Energy: 0.4006884258019402
Energy: 0.5012266641358922
Energy: 0.4037323137721736
Energy: 0.462553980795445
Energy: 0.8019996376103607
Energy: 0.46255380829372916
Energy: 0.7383617725823974
Energy: 0.516325482355244
Energy: 0.4217682912176212
Energy: 0.5163255057468934
Energy: 0.4022019378347804
Energy: 0.4313006376705283
Energy: 0.8398618380279524
Energy: 0.4313006398129244
Energy: 0.756216579471561
Energy: 0.47577030949956334
Energy: 0.49728953314423435
Energy: 0.47577030949910365
Energy: 0.4039319560880483
Energy: 0.4893919862320837
Energy: 0.8854077253481443
Energy: 0.48939198634279607
Energy: 0.7867604049884024
Energy: 0.4865488040256796
Energy: 0.526242096761473
Energy: 0.4865488082227
Energy: 0.4022489391193063
Energy: 0.43804094733708937
Energy: 0.8874513015767367
Energy: 0.4380409480685139
Energy: 0.8728367822788506
Energy: 0.44685851651705044
Energy: 0.5401088127878559
Energy: 0.4477400229307385
Energy: 0.40392793089911383
Energy: 0.46958087328059356
Energy: 0.8157415142000828
Energy: 0.46958175286250753
Energy: 0.8809219875966461
Energy: 0.5743422498549234
Energy: 0.4217591886252065
Energy: 0.5743422500906182
Energy: 0.40225728112978676
Energy: 0.45940195190426564
Energy: 0.7302518631726719
Energy: 0.45940201145916243
Energy: 0.803529796238012
Energy: 0.5456985901681507
Energy: 0.4006893836509798
Energy: 0.545698590167691
Energy: 0.4026856677168209
Energy: 0.48371310165015896
Energy: 0.5623189466137751
Energy: 0.48371310168736953
Energy: 0.678432874293895
Energy: 0.5235536090174105
Energy: 0.40260672007559617
Energy: 0.5235535888161535
Energy: 0.4022035732346959
Energy: 0.4528742996637099
Energy: 0.48084939014258593
Energy: 0.46605552181404053
Energy: 0.7744749986033255
Energy: 0.47310407427393225
Energy: 0.40248475627945585
Energy: 0.4730853545983652
Energy: 0.4232450321745167
Energy: 0.5219149699576886
Energy: 0.6298631864914208
Energy: 0.5219149708586602
Energy: 0.7945807472895499
Energy: 0.517619243880022
Energy: 0.40267466298542665
Energy: 0.517619242859145
Energy: 0.5828301435388481
Energy: 0.48857251565670595
Energy: 0.7418681640551085
Energy: 0.48857251565670595
Energy: 0.8477094687879242
Energy: 0.5088434509830294
Energy: 0.40292280064896296
Energy: 0.5088434509825698
Energy: 0.5314899155395577
Energy: 0.4899083221176348
Energy: 0.6331124762362843
Energy: 0.4878892598298583
Energy: 0.7835240305503245
Energy: 0.5738525683808254
Energy: 0.40260607534461734
Energy: 0.5738525683569446
Energy: 0.5075377200807594
Energy: 0.4521400745144886
Energy: 0.8291806353071381
Energy: 0.45213990857041736
Energy: 0.75994848426052
Energy: 0.5313964409855354
Energy: 0.40291789085732216
Energy: 0.531396440985995
Energy: 0.42312520931628694
Energy: 0.5314715219724627
Energy: 0.7695835356758828
Energy: 0.5314715046211248
Energy: 0.6951613936886958
Energy: 0.503828998442937
Energy: 0.40267673095774414
Energy: 0.5089874105578551
Energy: 0.40218085429063616
Energy: 0.539447240178078
Energy: 0.7304320713349219
Energy: 0.539447240178078
Energy: 0.5279779895786528
Energy: 0.47618200760676344
Energy: 0.40246503700063757
Energy: 0.4763673357113238
Energy: 0.40387880524467157
Energy: 0.554209737253354
Energy: 0.7121882158367548
Energy: 0.554209604268829
Energy: 0.38644824304689307
Energy: 0.5744215529159444
Energy: 0.40048105310507015
Energy: 0.5744215529159444
Energy: 0.4023717238494319
Energy: 0.5354798142407262
Energy: 0.6488268836849419
Energy: 0.5354798142434841
Energy: 0.37710548383719356
Energy: 0.4583435416156515
Energy: 0.42145661063703055
Energy: 0.45829431231949413
Energy: 0.40389951925021544
Energy: 0.541056045390566
Energy: 0.6092906401548109
Energy: 0.5410560396544158

minimum gb energy = 0.37710548383719356 eV
minimum distance =  1.85594615474669 Angstroms
sigma value = 113


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

Energy: 0.011687468563621005
Energy: 0.012385247679378916
Energy: 0.640192525271396
Energy: 0.012385247679025562
Energy: 0.5446054475856892
Energy: 0.1926094382669329
Energy: 0.19225074623412178
Energy: 0.1926094382669329
Energy: 0.011687468563621005
Energy: 0.012385247679378916
Energy: 0.6401931526855373
Energy: 0.012385247679025562
Energy: 0.5446054475860426
Energy: 0.1926094382669329
Energy: 0.1922507501168643
Energy: 0.1926094382669329
Energy: 0.011687468563621005
Energy: 0.012385247679378916
Energy: 0.6401929170977901
Energy: 0.012385247679025562
Energy: 0.5446054475856892
Energy: 0.1926094382669329
Energy: 0.19225067516125885
Energy: 0.19260943826726662

minimum gb energy = 0.011687468563621005 eV
minimum distance =  2.82634481588152 Angstroms
sigma value = 1