Model name: model_name=MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6133156493306164
cohesive_energy=3.540278409752503
mass=63.546
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: 0.013700240922623863
Energy: 0.014469371070297641
Energy: 0.9189652364122551
Energy: 0.014469371070297641
Energy: 0.01446937107092544
Energy: 0.7316223887393972
Energy: 0.01446937107092544
Energy: 0.7316223887393972
Energy: 0.9189652364122551
Energy: 0.014469371070297641
Energy: 0.013700240922623863
Energy: 0.01446937107092544
Energy: 0.01446937107092544
Energy: 0.7316223887393972
Energy: 0.014469371070297641
Energy: 0.7316223887393972

minimum gb energy = 0.013700240922623863 eV
minimum distance =  2.47126484277701 Angstroms
sigma value = 1


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

Energy: 0.9558529591198084
Energy: 1.003019671578429
Energy: 0.916466696379457
Energy: 1.003019671578429
Energy: 0.8945425007607036
Energy: 1.1435577924591123
Energy: 0.8981535634889501
Energy: 1.1435577924598737
Energy: 1.011126046866716
Energy: 0.9949307771273068
Energy: 0.9444495094673471
Energy: 0.9949307771265453
Energy: 0.8904030093326091
Energy: 1.075415695947934
Energy: 0.8653326737432252
Energy: 1.075415695947934
Energy: 0.9350190462917418
Energy: 1.0622483051912273
Energy: 0.9009434606847541
Energy: 1.0622483051912273
Energy: 0.8572548937278361
Energy: 1.1809054852632785
Energy: 0.8399385079737286
Energy: 1.180905485262517
Energy: 0.9329381824821279
Energy: 1.083618372626648
Energy: 0.875836172149547
Energy: 1.083618372626648
Energy: 0.8188205576059499
Energy: 1.062616330357299
Energy: 0.8285155679185466
Energy: 1.062616330356538
Energy: 0.8782774330353814
Energy: 1.1106320784949677
Energy: 1.007945381555052
Energy: 1.1106320752582062
Energy: 0.8324892585207885
Energy: 0.9956611240809169
Energy: 0.8125915269168906
Energy: 0.9956611240801556
Energy: 1.0238323126343984
Energy: 0.9577890932968072
Energy: 0.8783736592145412
Energy: 0.9577890932975686
Energy: 0.9184523069870105
Energy: 1.0636210991745307
Energy: 0.8429243356713076
Energy: 1.0636210991745307
Energy: 0.897337306391012
Energy: 1.11821571864385
Energy: 0.9328555228290866
Energy: 1.11821571864385
Energy: 0.9468608363242312
Energy: 0.9984392273074381
Energy: 0.858199482368999
Energy: 0.9984392273066767
Energy: 0.9233345173117432
Energy: 1.062185375347997
Energy: 0.9959511080380015
Energy: 1.0621853753472357
Energy: 0.9224199133572647
Energy: 1.1199664656449342
Energy: 0.8935057681083474
Energy: 1.1199664656441728
Energy: 0.9443324424117657
Energy: 0.9966685016619885
Energy: 0.8562658940020458
Energy: 0.9966685016619885
Energy: 0.8982138552908145
Energy: 1.1194963784201721
Energy: 0.9326373993890394
Energy: 1.1194963784201721
Energy: 0.8213086753923077
Energy: 1.0056855177080684
Energy: 0.8417078993683937
Energy: 1.0056855177088297
Energy: 1.0148312941254667
Energy: 0.8849007127322259
Energy: 0.879826623983516
Energy: 0.8849007127322259
Energy: 0.8351945939365065
Energy: 0.9954793483783624
Energy: 0.8176317600951923
Energy: 0.9954793483776011
Energy: 0.8793069627756118
Energy: 1.1793103763605755
Energy: 1.0043124671567645
Energy: 1.1793103763605755
Energy: 1.025303199425084
Energy: 1.06308676216693
Energy: 0.8822321537644945
Energy: 1.06308676216693
Energy: 0.9638679405562626
Energy: 1.0488139420489218
Energy: 0.8760768681699184
Energy: 1.0488139420489218
Energy: 0.8742329972187259
Energy: 1.174788281004326
Energy: 1.0333128645139065
Energy: 1.1747882810050871
Energy: 0.9341859640513909
Energy: 1.057937942678812
Energy: 0.8612173094423325
Energy: 1.057937942678812
Energy: 0.8926052896975397
Energy: 0.9392183451810591
Energy: 0.8789705457705344
Energy: 0.9392183451802978
Energy: 1.0050547795758362
Energy: 0.9938148960517653
Energy: 0.942263195586137
Energy: 0.9938148960517653
Energy: 0.8938563996045524
Energy: 1.0543521247201693
Energy: 0.8959255250332587
Energy: 1.0543521247201693
Energy: 0.9560320744555952
Energy: 1.0039543495649939
Energy: 0.9201578543339811
Energy: 1.0039543495642327
Energy: 0.8973137674492141
Energy: 1.0862087322260208
Energy: 0.8972574562567234
Energy: 1.0862087322267822
Energy: 0.8685409877348029
Energy: 0.9992379689809772
Energy: 0.9475035843656998
Energy: 0.9992379689802158
Energy: 0.9125103588175121
Energy: 0.8862268686252515
Energy: 0.8649568449200538
Energy: 0.8862268686267744

minimum gb energy = 0.8125915269168906 eV
minimum distance =  2.3292370257068 Angstroms
sigma value = 1


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

Energy: 1.0164720858571525
Energy: 1.0672389869758168
Energy: 0.9829517611103669
Energy: 1.0672389869740806
Energy: 0.9335785959975961
Energy: 1.1970008238752996
Energy: 0.936688597876465
Energy: 1.1970008238735634
Energy: 1.0711729999969852
Energy: 1.0529239088514546
Energy: 0.9829289947027003
Energy: 1.0529239088505864
Energy: 0.903905549560739
Energy: 0.9045711046509659
Energy: 0.8904101528422138
Energy: 0.9045711046509659
Energy: 0.9040205940492532
Energy: 1.1306406003946805
Energy: 1.0069670689691532
Energy: 1.1306406003946805
Energy: 0.9943565065939141
Energy: 1.135837042455962
Energy: 0.9599109345825626
Energy: 1.1358370424550939
Energy: 1.028166703333251
Energy: 1.0877926068898978
Energy: 0.9226407239345134
Energy: 1.0877926068890296
Energy: 0.8473311737972204
Energy: 1.0741673023788703
Energy: 0.8701247675297116
Energy: 1.0741673023780023
Energy: 0.9178827424479445
Energy: 0.9324137257233405
Energy: 1.0868103501980741
Energy: 0.9324137257250767
Energy: 0.8771953629187333
Energy: 1.1449956272242003
Energy: 0.9586337576571399
Energy: 1.1449956272242003
Energy: 0.9190506457336722
Energy: 1.0897386197847059
Energy: 0.9449647632339623
Energy: 1.0897386197855738
Energy: 0.88414228217371
Energy: 1.0594003062614308
Energy: 1.0102595156038285
Energy: 1.0594003062605628
Energy: 0.9820550117694078
Energy: 1.1287329308420402
Energy: 0.9125657001748668
Energy: 1.1287329308420402
Energy: 0.9820175481581813
Energy: 1.128863240754818
Energy: 0.9464136196189511
Energy: 1.1288632407530816
Energy: 0.8841015588227196
Energy: 1.0592463950963755
Energy: 0.9498056729238507
Energy: 1.059246395098112
Energy: 0.9191461897576775
Energy: 1.089562725119472
Energy: 0.9232087523043688
Energy: 1.0895627251159994
Energy: 0.8771905430780462
Energy: 1.14501298127059
Energy: 0.9058603378543659
Energy: 1.1450129812697223
Energy: 0.9178667946270846
Energy: 0.9323805025643478
Energy: 0.9523817896493934
Energy: 0.9323805025617434
Energy: 0.8473115154570432
Energy: 1.0740076361322566
Energy: 0.8690310877133383
Energy: 1.0740076361313886
Energy: 1.028199068908815
Energy: 1.0876963425147865
Energy: 0.920741937059173
Energy: 1.0876963425130504
Energy: 0.9944872815665035
Energy: 1.1355364627401368
Energy: 0.9113654545910976
Energy: 1.1355364627410047
Energy: 0.9040510318164554
Energy: 1.130745839725804
Energy: 0.9129125435892236
Energy: 1.130745839724936
Energy: 0.9039744574068003
Energy: 0.9042676746840166
Energy: 0.9059134809881086
Energy: 0.9042676746831484
Energy: 1.0713379454395544
Energy: 1.0529247931574817
Energy: 0.9504019380888116
Energy: 1.0529247931592178
Energy: 0.9335210087165549
Energy: 1.1970537389390783
Energy: 0.9366172213322089
Energy: 1.1970537389390783
Energy: 1.0164720858580207
Energy: 1.0672389869758168
Energy: 1.0701240822896192
Energy: 1.0672389869732124
Energy: 0.9335785959975961
Energy: 1.1970008238752996
Energy: 0.936688597876465
Energy: 1.1970008238744316
Energy: 1.0711729999961168
Energy: 1.0529239088514546
Energy: 1.0107210456900915
Energy: 1.0529239088505864
Energy: 0.9039055495624752
Energy: 0.9045711046500977
Energy: 0.8904101528422138
Energy: 0.9045711046509659

minimum gb energy = 0.8473115154570432 eV
minimum distance =  2.28511371014234 Angstroms
sigma value = 25


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

Energy: 0.9551754290985579
Energy: 1.1182167699933498
Energy: 1.0306352937610592
Energy: 1.1182167699933498
Energy: 0.9923891242830504
Energy: 1.148482162551702
Energy: 1.015061968573669
Energy: 1.148482162551702
Energy: 0.9456307664699534
Energy: 1.1773035853732945
Energy: 0.9314468921935201
Energy: 1.1773035853743037
Energy: 0.9247080210259325
Energy: 0.9586984756351272
Energy: 0.9347222131703018
Energy: 0.9586984756784754
Energy: 0.9355248665356861
Energy: 1.163436121721768
Energy: 1.0615934560034612
Energy: 1.163436121721768
Energy: 1.041970288483553
Energy: 1.1815568615921723
Energy: 1.0853875326628413
Energy: 1.1815568615921723
Energy: 0.9792988187620084
Energy: 1.1991671430577566
Energy: 0.9795483982484054
Energy: 1.1991671430577566
Energy: 1.137665864756775
Energy: 1.1234285505952637
Energy: 0.8994614788358529
Energy: 1.1234285505952637
Energy: 0.9796555789051324
Energy: 1.111452515489174
Energy: 0.9786735850127428
Energy: 1.111452515489174
Energy: 0.9332396434746657
Energy: 1.1820983980519069
Energy: 0.9151877927325465
Energy: 1.182098398052916
Energy: 0.969832153704893
Energy: 1.1167869669761534
Energy: 0.9904425305151128
Energy: 1.1167869669761534
Energy: 0.9570520901026087
Energy: 1.1537304827825354
Energy: 1.104604040256915
Energy: 1.1537304827825354
Energy: 0.9315121298532765
Energy: 1.0515479459779802
Energy: 0.9281664443274487
Energy: 1.0515479459779802
Energy: 0.9806424002177943
Energy: 1.021131750357714
Energy: 0.9794552617624492
Energy: 1.021131750357714
Energy: 0.9045624065532163
Energy: 1.165184566353822
Energy: 0.8983979775771238
Energy: 1.165184566353822
Energy: 1.0351016216254987
Energy: 0.9759221971321895
Energy: 0.9676707293085633
Energy: 0.9759221971321895
Energy: 0.8853946868591662
Energy: 1.1833113612713266
Energy: 0.8831906736348504
Energy: 1.1833113612713266
Energy: 0.9352769236476461
Energy: 1.173375099497749
Energy: 0.9707164205605635
Energy: 1.1733750994987582
Energy: 0.9083009495636565
Energy: 0.958334477958139
Energy: 0.935449866174393
Energy: 0.9583344779359373
Energy: 0.9793114391441448
Energy: 1.1786929020007222
Energy: 0.9566749543919113
Energy: 1.1786929020007222
Energy: 0.9601775800877718
Energy: 1.0892695161413037
Energy: 0.9569112947471118
Energy: 1.0892695161413037
Energy: 0.9572380076516347
Energy: 1.1283643211112673
Energy: 1.0417710355739787
Energy: 1.1283643211112673
Energy: 0.9906127296123671
Energy: 1.1145776600336594
Energy: 1.011064324412879
Energy: 1.11457766003265
Energy: 1.1541596485775074
Energy: 1.1814995627867664
Energy: 0.933288107806482
Energy: 1.1814995627867664
Energy: 1.165349349080184
Energy: 0.9590760269406081
Energy: 0.96259080494136
Energy: 0.9590760269406081

minimum gb energy = 0.8831906736348504 eV
minimum distance =  2.28504140552402 Angstroms
sigma value = 9


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

Energy: 1.0008562416039113
Energy: 1.1890367168553246
Energy: 1.1601086436148145
Energy: 1.1890367168565283
Energy: 1.0270045551146931
Energy: 1.1068173264535641
Energy: 1.0733128937779697
Energy: 1.1068173264463408
Energy: 0.9916590638863506
Energy: 1.050784008216215
Energy: 0.9886665897874166
Energy: 1.050784008216215
Energy: 1.2173571710657989
Energy: 1.0244762852304166
Energy: 0.9793016502747995
Energy: 1.0244762852316205
Energy: 1.1327338016895978
Energy: 1.107398066136491
Energy: 1.154013498265952
Energy: 1.1073980661376948
Energy: 0.9138845858682806
Energy: 1.0513130382076243
Energy: 1.268172242709976
Energy: 1.0513130382076243
Energy: 1.1311466961299081
Energy: 0.9490300016176717
Energy: 1.0148041620952024
Energy: 0.9490300016188755
Energy: 1.0685979991872674
Energy: 1.0603668324392843
Energy: 0.9382224085125734
Energy: 1.0603668324392843
Energy: 1.0795614169096694
Energy: 1.1066614681714873
Energy: 1.0619504741313532
Energy: 1.1064484918068445
Energy: 1.001323182228284
Energy: 1.04877642283934
Energy: 1.0134539942789482
Energy: 1.04877642283934
Energy: 0.9722396857559742
Energy: 1.114225397122823
Energy: 0.9562141917277296
Energy: 1.1142253971240272
Energy: 1.0789873116142785
Energy: 1.2268465237779371
Energy: 0.9803279250733511
Energy: 1.2268465237791413
Energy: 0.9124772500568019
Energy: 1.2622228119114045
Energy: 0.997898260437261
Energy: 1.2622228119114045
Energy: 1.0441406902307189
Energy: 1.0363709702866826
Energy: 1.1156976941061416
Energy: 1.0363709702866826
Energy: 0.912487887478463
Energy: 1.2621668977191336
Energy: 1.0687947274061769
Energy: 1.2621668977191336
Energy: 1.0789664615554064
Energy: 1.2283291620477295
Energy: 0.9806855734066385
Energy: 1.2283291620477295
Energy: 0.9723903494441586
Energy: 1.1143912177818662
Energy: 0.9894076146071146
Energy: 1.1143912177830702
Energy: 1.001281129974395
Energy: 1.0487669329827132
Energy: 1.0131101061886671
Energy: 1.0487669329815092
Energy: 1.0794768584115435
Energy: 1.1066221830866818
Energy: 1.0619463928594868
Energy: 1.106622180936343
Energy: 1.068572650808242
Energy: 1.0603918193251147
Energy: 0.9383087286407471
Energy: 1.0603918193287265
Energy: 1.1311531406075357
Energy: 0.9488335406680053
Energy: 1.0148053387205493
Energy: 0.9488335406680053

minimum gb energy = 0.9124772500568019 eV
minimum distance =  2.38014353030338 Angstroms
sigma value = 25


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

Energy: 0.9650897241076296
Energy: 1.1597827018367604
Energy: 1.2767108805902676
Energy: 1.1597827018367604
Energy: 0.9466874008381135
Energy: 1.173158224275423
Energy: 0.9324964778864252
Energy: 1.173158224275423
Energy: 1.0638777078298431
Energy: 1.29576502212316
Energy: 0.9329557733641161
Energy: 1.29576502212316
Energy: 1.3940733179200526
Energy: 1.1861284384329283
Energy: 1.1332998042020945
Energy: 1.1861284384329283
Energy: 1.1332895008400607
Energy: 1.0625014236884136
Energy: 1.0407534556835398
Energy: 1.0625014236899024
Energy: 0.9323284975147953
Energy: 1.2350769133517046
Energy: 1.3590676093285405
Energy: 1.2350769133517046
Energy: 1.0412914535745061
Energy: 1.1470550302465
Energy: 1.0634166065381527
Energy: 1.1470550302465
Energy: 1.2535752121002572
Energy: 1.2073508834514086
Energy: 1.0179228212608973
Energy: 1.2073508834514086
Energy: 0.9329516112179776
Energy: 1.0607574689762864
Energy: 1.0014409252643868
Energy: 1.0607574689762864
Energy: 1.2083699141825972
Energy: 1.2601832222255316
Energy: 1.0627571936888114
Energy: 1.2601832222255316
Energy: 1.046735044842219
Energy: 1.2635182518088182
Energy: 1.3209995759900686
Energy: 1.263518251810307
Energy: 1.0626230545802324
Energy: 1.0230198871375817
Energy: 1.1577258685858887
Energy: 1.023019887136093
Energy: 1.127127490829301
Energy: 1.2353323562066625
Energy: 0.9317200788809401
Energy: 1.2353323562066625
Energy: 1.0635618111424743
Energy: 1.1310302694607772
Energy: 1.0939324852585122
Energy: 1.1310302694607772
Energy: 1.0871889627383395
Energy: 1.131711585384935
Energy: 1.254337431984969
Energy: 1.1317115853864241
Energy: 1.0007488509021867
Energy: 1.2816873026634308
Energy: 0.9357001032667832
Energy: 1.2816873026634308
Energy: 1.0633614994519232
Energy: 1.0267844729093139
Energy: 1.2068255434509947
Energy: 1.0267844729093139

minimum gb energy = 0.9317200788809401 eV
minimum distance =  2.36426559850708 Angstroms
sigma value = 17


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

Energy: 1.0438401004976443
Energy: 1.3077125070057292
Energy: 1.340075972998146
Energy: 1.3077125070057292
Energy: 1.1256264102888518
Energy: 1.084150739888484
Energy: 0.954251404560164
Energy: 1.0841507398876409
Energy: 1.252944544287194
Energy: 1.2503935458104791
Energy: 0.9544353724365293
Energy: 1.2503935458096358
Energy: 1.0433738099713827
Energy: 1.2581088416698645
Energy: 1.1366526565977235
Energy: 1.2581088416690216
Energy: 1.18351876892509
Energy: 1.1105282312070603
Energy: 1.188307262570335
Energy: 1.110528231205374
Energy: 0.9650030077616202
Energy: 1.0617880418646657
Energy: 1.4056650594084574
Energy: 1.0617880418604497
Energy: 1.06101751029078
Energy: 1.065515552659329
Energy: 1.09240509191438
Energy: 1.0655155526584859
Energy: 1.257944951904233
Energy: 1.0594982006123155
Energy: 0.9646098451376213
Energy: 1.0594982006173745
Energy: 1.0414632001614996
Energy: 1.2375508299467817
Energy: 1.2155400346377865
Energy: 1.2375508299484679
Energy: 1.2969280904030542
Energy: 1.1740826194951823
Energy: 1.0466379503696273
Energy: 1.1740826194960257
Energy: 0.9542727551838204
Energy: 1.1017281129476888
Energy: 1.4023429057566512
Energy: 1.1017281129476888
Energy: 1.0719440227617885
Energy: 1.0650505619068338
Energy: 1.110640112619097
Energy: 1.0650505619076769
Energy: 1.3727917164832235
Energy: 1.0447700463195693
Energy: 1.049384598944514
Energy: 1.0447700463145102
Energy: 0.9545527000549063
Energy: 1.1621319748794225
Energy: 1.1662640463108733
Energy: 1.1621319748120058
Energy: 1.1126123691145766
Energy: 1.065565997417429
Energy: 1.0812969482021888
Energy: 1.0655659974157428
Energy: 1.1621295970209693
Energy: 1.2540565311162646
Energy: 1.1642299693731974
Energy: 1.2540565311171077
Energy: 1.0596551961738938
Energy: 1.151168221011259
Energy: 1.2560941319763559
Energy: 1.151168221010416
Energy: 1.3703623747090796
Energy: 1.28871822315943
Energy: 0.9649681035318907
Energy: 1.28871822315943
Energy: 1.0356867224425044
Energy: 1.1807198761410884
Energy: 1.0255838486932813
Energy: 1.180719876148677
Energy: 1.0721332506610275
Energy: 1.0585351845787818
Energy: 1.0698387082909546
Energy: 1.0585351845787818
Energy: 1.058577324800057
Energy: 1.094162695581537
Energy: 1.162014832227025
Energy: 1.0941626955857142
Energy: 1.0345227808105188
Energy: 1.1092849306148698
Energy: 1.2955518401472272
Energy: 1.1092849306148698
Energy: 1.1724157010493588
Energy: 1.2344093210097713
Energy: 0.9517447171782243
Energy: 1.2344093210097713
Energy: 1.0556463435609442
Energy: 1.182893520657385
Energy: 1.2163863713608227
Energy: 1.1828935206582283
Energy: 1.0436142560156496
Energy: 1.323489365807689
Energy: 1.2181432710316318
Energy: 1.3234893658085318
Energy: 1.2832219634577207
Energy: 1.1021554834907283
Energy: 0.9531293465089274
Energy: 1.1021554835278287
Energy: 1.016243052981325
Energy: 1.2566644564664167
Energy: 1.3137499063287035
Energy: 1.2566644564672598
Energy: 1.1629900661924106
Energy: 1.0588411986982065
Energy: 1.163177104111126
Energy: 1.058841198713384
Energy: 1.255865902777531
Energy: 1.1957594888931644
Energy: 1.0608602713506816
Energy: 1.1957594888931644
Energy: 0.9647042464609381
Energy: 1.183456155157942
Energy: 1.222303908725182
Energy: 1.1834561551570986

minimum gb energy = 0.9517447171782243 eV
minimum distance =  2.27186734589117 Angstroms
sigma value = 53


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

Energy: 0.8986038923103656
Energy: 0.8984620336442185
Energy: 1.4185389803867074
Energy: 0.8984620336461597
Energy: 1.1825732110001554
Energy: 1.2020154320468182
Energy: 0.9310939013885168
Energy: 1.2020154320468182
Energy: 0.917307781218154
Energy: 0.918621624562918
Energy: 1.0499464198991457
Energy: 0.918621624562918
Energy: 0.9173906595498471
Energy: 0.9184651789235847
Energy: 1.1576515440623902
Energy: 0.9184651789235847
Energy: 1.1825386665285074
Energy: 1.2019611297435766
Energy: 0.9310176092748629
Energy: 1.2019611297435766
Energy: 0.8986038923123069
Energy: 0.8984620336461597
Energy: 1.4537980091459217
Energy: 0.8984620336461597
Energy: 1.1825732110001554
Energy: 1.2020154320468182
Energy: 1.0484245868589697
Energy: 1.2020154320468182
Energy: 0.917307781218154
Energy: 0.918621624562918
Energy: 1.165270282948159
Energy: 0.918621624562918
Energy: 0.9173906595498471
Energy: 0.9184651789197025
Energy: 1.1576515440623902
Energy: 0.9184651789197025
Energy: 1.1825386665285074
Energy: 1.2019611297435766
Energy: 1.0501158831268418
Energy: 1.201961129745518
Energy: 0.8986038923103656
Energy: 0.8984620336461597
Energy: 1.4537989695162454
Energy: 0.8984620336442185
Energy: 1.1825732110001554
Energy: 1.2020154320468182
Energy: 1.1507234228272103
Energy: 1.2020154320468182
Energy: 0.917307781218154
Energy: 0.918621624562918
Energy: 1.165270282948159
Energy: 0.918621624562918

minimum gb energy = 0.8984620336442185 eV
minimum distance =  2.34277146865717 Angstroms
sigma value = 9


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

Energy: 0.9906218227643234
Energy: 1.3351527509862515
Energy: 1.493489488090846
Energy: 1.33515275098697
Energy: 1.3219035081034929
Energy: 1.103206825975902
Energy: 1.0711781604040165
Energy: 1.1032068259766208
Energy: 1.2074491215454521
Energy: 1.198027519314218
Energy: 1.011792101627355
Energy: 1.198027519317059
Energy: 1.4272938077022999
Energy: 1.2797419157065066
Energy: 1.095589791866633
Energy: 1.2797419157065066
Energy: 1.3575337084118995
Energy: 1.037741388573282
Energy: 1.0414489739295212
Energy: 1.0377413885740006
Energy: 0.9794379397891272
Energy: 0.979371853314377
Energy: 1.473782510864381
Energy: 0.979371853314377
Energy: 1.4849582647516968
Energy: 1.392841410579292
Energy: 1.0568698127386966
Energy: 1.3928414105785734
Energy: 1.2084777697787803
Energy: 1.3169370218936463
Energy: 1.2563742660339894
Energy: 1.3169370218943648
Energy: 1.2142515929558084
Energy: 1.364802765801365
Energy: 0.9880608241613695
Energy: 1.3648027658006467
Energy: 1.0602654524112862
Energy: 1.0820578416158964
Energy: 1.0437465942379578
Energy: 1.0820578416158964
Energy: 1.11574258261185
Energy: 1.3543896262059494
Energy: 1.4416546244497168
Energy: 1.3543896262059494
Energy: 1.3173656638410933
Energy: 1.3291793705691097
Energy: 1.0226582492824772
Energy: 1.3291793705676727
Energy: 1.0735047035701004
Energy: 1.0846898162432808
Energy: 1.3491746566453293
Energy: 1.0846898162950096
Energy: 1.4267593642961434
Energy: 1.303484358034265
Energy: 0.9940034789201733
Energy: 1.3034843580335467
Energy: 1.059198211031856
Energy: 1.2301313470900392
Energy: 1.2325810746755956
Energy: 1.2301313470921944
Energy: 1.0411751979808812
Energy: 1.2882866087808102
Energy: 1.2486100155068653
Energy: 1.2882866087829656
Energy: 1.1465222761067344
Energy: 1.2305061279042881
Energy: 1.0593374473976895
Energy: 1.2305061279035696
Energy: 1.1038797598600691
Energy: 1.034557064925132
Energy: 1.2719552159490939
Energy: 1.034557064923695
Energy: 1.4697823136040113
Energy: 1.1718813415242535
Energy: 0.9823316787034991
Energy: 1.1718813415235347
Energy: 1.0179179596080528
Energy: 1.1106178829186555
Energy: 1.224651350676338
Energy: 1.110617882919374
Energy: 1.2593418167709323
Energy: 1.368963334266237
Energy: 1.2576950579802535
Energy: 1.368963334266237
Energy: 1.1397930031522656
Energy: 1.1569646957139452
Energy: 1.0573103065749205
Energy: 1.1569646957132271
Energy: 0.9882829358720113
Energy: 1.171395669010704
Energy: 1.142679484317087
Energy: 1.171395669010704
Energy: 1.4375182228119205
Energy: 1.2234086068567895
Energy: 1.1133718491866955
Energy: 1.223408606856071
Energy: 1.056217191913528
Energy: 1.294574639614753
Energy: 1.403139167273764
Energy: 1.2945746396154387
Energy: 1.1897945473142317
Energy: 0.9795939902596869
Energy: 1.1106951644553662
Energy: 0.9795939902589685
Energy: 1.1215633202541326
Energy: 1.2322303561476016
Energy: 1.2729642991151509
Energy: 1.2322303561476016
Energy: 0.9957665290710814
Energy: 1.2637201018906477
Energy: 1.2760924661915671
Energy: 1.2637201018906477
Energy: 1.1292027081477218
Energy: 0.9796051704525864
Energy: 1.1093176001331215
Energy: 0.979605170451868
Energy: 1.0230479501088476
Energy: 1.3980392476205468
Energy: 1.4211629657252944
Energy: 1.398039247619861
Energy: 1.3588427055164278
Energy: 1.3525417005493672
Energy: 1.1125317883720178
Energy: 1.3525417005493672
Energy: 0.9788783757946461
Energy: 1.036354215397504
Energy: 1.1421590944763058
Energy: 1.0363542153967855
Energy: 0.9803052107446881
Energy: 1.1563283746830026
Energy: 1.2063661519998365
Energy: 1.1563283746837212
Energy: 1.261573906870247
Energy: 1.2889863052060757
Energy: 1.2556123644951533
Energy: 1.2889863052060757
Energy: 1.0188386757744932
Energy: 1.2151737608031794
Energy: 1.4890622802522748
Energy: 1.2151737608031794

minimum gb energy = 0.9788783757946461 eV
minimum distance =  2.29894662181315 Angstroms
sigma value = 73


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

Energy: 1.0532084804682589
Energy: 1.0521144490632814
Energy: 1.4846980063348172
Energy: 1.0521144488262877
Energy: 1.2545043509666949
Energy: 1.2029478242656624
Energy: 1.0530759621180108
Energy: 1.2029478242668021
Energy: 1.099699515785962
Energy: 1.0572373629150194
Energy: 1.004958612760396
Energy: 1.0572373629150194
Energy: 1.2513336797252115
Energy: 1.1449447644722033
Energy: 1.1667409670992703
Energy: 1.1449447644733433
Energy: 1.1321920011983828
Energy: 1.1245931833590757
Energy: 0.9906115498527245
Energy: 1.1245931833590757
Energy: 1.1557233655631394
Energy: 1.0082477292499443
Energy: 1.4093600122445382
Energy: 1.008247729254504
Energy: 1.4941382604065276
Energy: 1.2684172473728335
Energy: 1.101387219740053
Energy: 1.2684172473728335
Energy: 1.084984084263999
Energy: 1.2019652223605028
Energy: 1.337563508683405
Energy: 1.2019652223616428
Energy: 1.420087512484788
Energy: 0.9802228923744195
Energy: 0.9805441128791481
Energy: 0.9802228923744195
Energy: 1.0584423718457625
Energy: 1.1657008982696901
Energy: 0.980752726588796
Energy: 1.1657008982696901
Energy: 1.079493851780815
Energy: 1.0568867735876855
Energy: 1.3780827870386783
Energy: 1.0568867735876855
Energy: 1.2789885215558736
Energy: 1.1710976189690119
Energy: 1.0696979039365626
Energy: 1.1710976189690119
Energy: 1.1173257375930032
Energy: 1.1885427612284158
Energy: 1.2854957810507763
Energy: 1.1885427612284158
Energy: 1.379418987635667
Energy: 1.170874169197596
Energy: 1.140826791399245
Energy: 1.170874169197596
Energy: 0.9907096756212627
Energy: 1.2619706698304567
Energy: 1.3846704643503243
Energy: 1.2619706698315967
Energy: 1.3335750539562077
Energy: 1.1904576008974954
Energy: 1.0525207410468107
Energy: 1.1904576008974954
Energy: 1.0526741029799942
Energy: 1.1163158662044037
Energy: 1.0997789735523724
Energy: 1.1163158662044037
Energy: 1.0517576585132913
Energy: 1.0519671590541804
Energy: 1.1051100797279063
Energy: 1.0519671589983517
Energy: 1.0410830692257567
Energy: 0.9796310506313072
Energy: 1.1433629641709115
Energy: 0.9796310506313072
Energy: 1.0604830572569424
Energy: 1.3766959788740363
Energy: 1.455338477831915
Energy: 1.376695978875176
Energy: 1.382970990254115
Energy: 1.1423382229853631
Energy: 1.1548786240009927
Energy: 1.1423382229842232
Energy: 1.125225434369712
Energy: 1.113178305412572
Energy: 1.4164767853516655
Energy: 1.113178305412572

minimum gb energy = 0.9796310506313072 eV
minimum distance =  2.30985272661172 Angstroms
sigma value = 7


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

Energy: 1.0003655759908667
Energy: 0.9998896512126803
Energy: 1.4690518681631757
Energy: 0.9998896512142923
Energy: 1.481782779807053
Energy: 1.12041724667709
Energy: 1.1129002410392357
Energy: 1.120417246675478
Energy: 1.1069753215387232
Energy: 1.164254257228241
Energy: 1.1390703926969625
Energy: 1.1642542572266288
Energy: 1.1366029648859062
Energy: 1.069021433250233
Energy: 1.1191580723652759
Energy: 1.069021433250233
Energy: 1.0629683744465257
Energy: 1.1014284232561218
Energy: 0.9975916068568886
Energy: 1.1014284232553158
Energy: 1.1163162657385544
Energy: 1.1049764972997818
Energy: 1.3688227828855013
Energy: 1.1049764972989757
Energy: 1.2418340036818294
Energy: 1.3421787087702572
Energy: 1.1406039378327668
Energy: 1.342178708769451
Energy: 1.115964557638721
Energy: 1.000933138906148
Energy: 1.5124106228634815
Energy: 1.0009331389005056
Energy: 1.2851995074310374
Energy: 1.0612047538893563
Energy: 1.116433610546506
Energy: 1.0612047538893563
Energy: 1.0669271289659183
Energy: 1.1804433605285836
Energy: 1.2881594565456331
Energy: 1.1804433605269717
Energy: 1.1382128017864959
Energy: 1.1646431165211373
Energy: 1.118463525915813
Energy: 1.164643116519525
Energy: 1.0021291259260912
Energy: 1.1015251069416727
Energy: 1.1174721745478389
Energy: 1.1015251069384486
Energy: 1.0108417918026302
Energy: 1.0002810062956171
Energy: 1.2586693093141295
Energy: 1.0002810062956171
Energy: 1.1387556788583855
Energy: 0.996278556025409
Energy: 1.2196158289414234
Energy: 0.996278556026215
Energy: 1.064971193895657
Energy: 1.3136899075584219
Energy: 1.4089452284179693
Energy: 1.3136899075576156
Energy: 1.4704088889203157
Energy: 0.9956009500151622
Energy: 1.1432281636633088
Energy: 0.9956009500135501
Energy: 1.0733615006189938
Energy: 1.1013749175072105
Energy: 1.2638293197702435
Energy: 1.1013749175080165
Energy: 1.0251050652967504
Energy: 1.069754474552585
Energy: 1.116822188664086
Energy: 1.0697544745574212
Energy: 1.0740364408048388
Energy: 1.1029207505552443
Energy: 1.0359040995816513
Energy: 1.1029207505552443
Energy: 1.0749768858766735
Energy: 1.08765507900321
Energy: 1.1236058218741862
Energy: 1.08765507900321
Energy: 1.1355049039518452
Energy: 1.2082587301480907
Energy: 1.1165461295541002
Energy: 1.2082587301496661
Energy: 1.1060340041568797
Energy: 1.261623509290215
Energy: 1.3307675730780117
Energy: 1.261623509289409
Energy: 1.4388278297712038
Energy: 1.1161673838019486
Energy: 1.1200711924678606
Energy: 1.1161673838027548
Energy: 1.004914589091318
Energy: 1.001050985406096
Energy: 1.5308075534137615
Energy: 1.0010509854109322
Energy: 1.2064484134729767
Energy: 1.1306871519654114
Energy: 1.039987649236566
Energy: 1.1306871519662176
Energy: 1.171555451179199
Energy: 1.162246399406728
Energy: 1.1384091293106136
Energy: 1.162246399406728
Energy: 1.0612555808156174
Energy: 1.1270074090322586
Energy: 1.0472000363999243
Energy: 1.1270074090306466
Energy: 1.2525421270100918
Energy: 1.1009644486446986
Energy: 1.1190425868688718
Energy: 1.1009644486463106
Energy: 1.0933772571687725
Energy: 1.0009816252174442
Energy: 1.2805010855402004
Energy: 1.0009816252174442
Energy: 1.3046921394812743
Energy: 1.2832087359529563
Energy: 1.1524226527768766
Energy: 1.2832087359545683
Energy: 1.0933211739303845
Energy: 1.0007170968472712
Energy: 1.35614670643432
Energy: 1.0007170968496895

minimum gb energy = 0.9956009500135501 eV
minimum distance =  2.29657930080148 Angstroms
sigma value = 29


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

Energy: 0.9428588630434538
Energy: 0.9423441351778792
Energy: 1.7128987765953454
Energy: 0.9423441351781601
Energy: 1.4061195035991059
Energy: 1.174171122562395
Energy: 0.9407663464425913
Energy: 1.174171122562395
Energy: 1.1107407883776772
Energy: 1.126861141020627
Energy: 1.1602095651067246
Energy: 1.1268611410203777
Energy: 0.9410283098419159
Energy: 0.9130031710005745
Energy: 1.1734652434232897
Energy: 0.9130031710025086
Energy: 0.9434760252348289
Energy: 0.9136348289726898
Energy: 1.1615632782331995
Energy: 0.9136348289724091
Energy: 1.1715262135437556
Energy: 0.9923143573858231
Energy: 1.1714964397148955
Energy: 0.9923143573858231
Energy: 0.912642834587158
Energy: 0.9131366980103748
Energy: 0.9434562885223389
Energy: 0.913136698010094
Energy: 1.1748734782675245
Energy: 0.9133163125199188
Energy: 0.9407959216627375
Energy: 0.9133163125199188
Energy: 1.1600489409242676
Energy: 1.126862144633798
Energy: 1.110661223512513
Energy: 1.126862144633798

minimum gb energy = 0.912642834587158 eV
minimum distance =  2.3364186967534 Angstroms
sigma value = 5


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

Energy: 0.9386413720277714
Energy: 0.945367670745037
Energy: 1.339176866392878
Energy: 0.9453676707480825
Energy: 1.1287773586645604
Energy: 1.2304498321592634
Energy: 0.9552213695605416
Energy: 1.2304498321592634
Energy: 0.9239500366625838
Energy: 1.0356034728078918
Energy: 1.1722330579361913
Energy: 1.0356034728177899
Energy: 0.9936353621426656
Energy: 0.9922016960155263
Energy: 0.9265679915021304
Energy: 0.9922016960162878
Energy: 0.936713818233735
Energy: 0.9974400720139519
Energy: 1.1376173854674978
Energy: 0.9974400720139519
Energy: 1.093100696964842
Energy: 1.0393538712257429
Energy: 0.9243456798405424
Energy: 1.0393538712272656
Energy: 0.9209288247023585
Energy: 0.9952954153105602
Energy: 0.9171680118879058
Energy: 0.9952954153097989
Energy: 0.920313289079908
Energy: 0.9467248848651679
Energy: 0.9376179612423935
Energy: 0.9467248848651679
Energy: 0.9236202372633454
Energy: 0.9952419544176313
Energy: 0.9580257481119234
Energy: 0.9952419544183927
Energy: 0.9233226433826631
Energy: 0.9953886821835009
Energy: 0.9241817306234724
Energy: 0.9953886821835009
Energy: 0.9955192441901821
Energy: 1.1725535977924124
Energy: 0.9259742220239395
Energy: 1.1725535977931738
Energy: 0.9573221590725897
Energy: 0.9346291994209989
Energy: 0.9446781331085147
Energy: 0.9346291994209989
Energy: 1.0691905839390043
Energy: 0.9454877766776009
Energy: 0.9479832699077158
Energy: 0.9454877766776009
Energy: 0.935743008105103
Energy: 1.2449274814265114
Energy: 1.2502500725460655
Energy: 1.24492748142575
Energy: 1.491060396306385
Energy: 1.1825154063202632
Energy: 0.9253943679856044
Energy: 1.182515406321786
Energy: 0.9251101238773024
Energy: 0.9417533804071678
Energy: 1.2138426908381397
Energy: 0.9417533804064064
Energy: 1.1372600463264788
Energy: 0.9348772332860523
Energy: 0.9368411541366102
Energy: 0.9348772332875751
Energy: 0.9276580624423792
Energy: 1.0402677134166247
Energy: 1.3153830131962023
Energy: 1.040267713415863
Energy: 0.9223636489331335
Energy: 0.9960172393491717
Energy: 0.9254881510707246
Energy: 0.9960172393484104
Energy: 0.9344764507637556
Energy: 1.1311570424332218
Energy: 0.9325936317501369
Energy: 1.1311570424316988
Energy: 0.942302458889285
Energy: 0.9912806710019328
Energy: 0.9286950197405311
Energy: 0.9912806710019328
Energy: 0.9601153133939602
Energy: 0.9957975314310006
Energy: 0.923467194194206
Energy: 0.9957975314310006
Energy: 0.9278876879753366
Energy: 1.17117868810255
Energy: 0.9685330735212059
Energy: 1.1711786881033115
Energy: 0.9456007714737381
Energy: 0.9501369105355189
Energy: 0.9572247084159853
Energy: 0.9501369105370416
Energy: 0.9517357826302731
Energy: 0.9400425930545957
Energy: 0.9560978373225762
Energy: 0.9400425930545957
Energy: 0.9647937651094193
Energy: 0.9460678621030904
Energy: 0.9388144816414098
Energy: 0.9460678621038519
Energy: 0.9284580551252218
Energy: 0.9185172927179487
Energy: 1.0734173323279066
Energy: 0.9185172927171873
Energy: 1.226165101981605
Energy: 1.1451173496587967
Energy: 0.9250257088395488
Energy: 1.1451173496580354
Energy: 0.9313137594921014
Energy: 1.0777102538834524
Energy: 1.2556551890029324
Energy: 1.0777102539001682
Energy: 1.3130861441410027
Energy: 1.0410862809668533
Energy: 0.9276210308304942
Energy: 1.041086280966092
Energy: 0.9248531394748828
Energy: 0.9317986492529536
Energy: 1.3084328164512877
Energy: 0.9317986492521922
Energy: 1.134790383934507
Energy: 1.0035332505289
Energy: 0.9316364689691732
Energy: 1.003533250526616
Energy: 0.9266570519532488
Energy: 1.1429232369523552
Energy: 1.011796812530581
Energy: 1.1429232369538782

minimum gb energy = 0.9171680118879058 eV
minimum distance =  2.2760965568445 Angstroms
sigma value = 1


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

Energy: 0.907062843813677
Energy: 0.906728459620492
Energy: 1.3497925684143977
Energy: 0.906728459620492
Energy: 1.2609779813839241
Energy: 1.0855751450424573
Energy: 0.894413095241231
Energy: 1.0855751450424573
Energy: 0.8812646474141003
Energy: 0.9064952954002169
Energy: 1.322230255932139
Energy: 0.9064952953897134
Energy: 0.939107283285995
Energy: 0.9739060672259732
Energy: 0.8851469709233141
Energy: 0.9739060672259732
Energy: 0.8956942640907809
Energy: 0.9038873329470923
Energy: 1.1447070779134263
Energy: 0.9038873329418287
Energy: 0.8929709803704753
Energy: 1.177204879104388
Energy: 0.8835940986024977
Energy: 1.177204879104388
Energy: 0.8819146688451227
Energy: 0.99314419514429
Energy: 0.8904856810421956
Energy: 0.99314419514429
Energy: 0.8817790830430163
Energy: 0.9088416245160054
Energy: 0.9243174645318213
Energy: 0.9088416245160054
Energy: 0.9067095866339202
Energy: 0.9056948625348401
Energy: 0.964498353952081
Energy: 0.9056948625348401
Energy: 0.9063039190718747
Energy: 0.9058996657179058
Energy: 0.9376589096123176
Energy: 0.9058996657179058
Energy: 0.8817789218047443
Energy: 0.9092089744102626
Energy: 0.9235487067924645
Energy: 0.9092089744102626
Energy: 0.8817959682595135
Energy: 0.9931351305204097
Energy: 0.8892906802512038
Energy: 0.9931351305225152
Energy: 0.892745282109743
Energy: 1.1773784182602436
Energy: 0.883535398379011
Energy: 1.1773784182591909
Energy: 0.8956560424779921
Energy: 0.9038878499139147
Energy: 1.0648671106376582
Energy: 0.9038878499139147
Energy: 0.9392595675643847
Energy: 0.9738563371266297
Energy: 0.8848876038700658
Energy: 0.9738563371276824
Energy: 0.8812557678804721
Energy: 0.9065295289066301
Energy: 1.0077998915315722
Energy: 0.9065295289055773
Energy: 1.2610468428469592
Energy: 1.0860265547121242
Energy: 0.8940482386813818
Energy: 1.0860265547110715
Energy: 0.907062843813677
Energy: 0.9067284596194393
Energy: 1.2269366698131776
Energy: 0.906728459620492
Energy: 1.260977982224708
Energy: 1.0855751450435098
Energy: 0.894413095241231
Energy: 1.0855751450435098
Energy: 0.8812646474141003
Energy: 0.9064952953697112
Energy: 1.322230255932139
Energy: 0.9064952953812915
Energy: 0.9391072832881004
Energy: 0.9739060672249203
Energy: 0.8851469709233141
Energy: 0.9739060672249203
Energy: 0.8956942640907809
Energy: 0.9038873327219008
Energy: 1.144707078466907
Energy: 0.9038873327071624
Energy: 0.8929709803694225
Energy: 1.1772048791033354
Energy: 0.8835940986024977
Energy: 1.1772048791033354
Energy: 0.8819146688451227
Energy: 0.99314419514429
Energy: 0.8904856810369319
Energy: 0.99314419514429

minimum gb energy = 0.8812557678804721 eV
minimum distance =  2.30547724923962 Angstroms
sigma value = 17


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

Energy: 0.9013678113734893
Energy: 0.9012634943956873
Energy: 1.2561617283762259
Energy: 0.9012634943956873
Energy: 1.0819952118533782
Energy: 0.893753091087676
Energy: 0.8840385627603138
Energy: 0.893753091087676
Energy: 0.8815654466083614
Energy: 0.9796925547160826
Energy: 1.1106526329610462
Energy: 0.9796925547154319
Energy: 1.0106456736907232
Energy: 1.0777752639128821
Energy: 0.8799267647443736
Energy: 1.0777752639122316
Energy: 0.8824978051676096
Energy: 0.89882535114345
Energy: 1.1931367617336925
Energy: 0.8988253511427994
Energy: 0.9444772342500672
Energy: 1.2440227602806677
Energy: 0.8883508028409403
Energy: 1.2440227602813183
Energy: 0.8995504420438863
Energy: 1.0932251332130627
Energy: 0.8926279512446214
Energy: 1.093225133212412
Energy: 0.8801145774014872
Energy: 1.1110777883901597
Energy: 0.8808851197487351
Energy: 1.111077788389509
Energy: 0.903826872281918
Energy: 1.110435352186557
Energy: 0.9308348083710026
Energy: 1.110435352187208
Energy: 0.9052573942414547
Energy: 1.112390747250546
Energy: 0.8903788825578979
Energy: 1.112390747250546
Energy: 0.8862906622169134
Energy: 1.0972831134708005
Energy: 0.8887236150770395
Energy: 1.0972831134708005
Energy: 0.8872131572862098
Energy: 0.9424656766426207
Energy: 0.8755305677837368
Energy: 0.9424656766426207
Energy: 0.890297674520131
Energy: 1.1058344020240571
Energy: 0.8826881611916142
Energy: 1.1058344020253585
Energy: 0.8992692889344339
Energy: 1.1050489674579311
Energy: 0.9015682199457313
Energy: 1.1050489674605337
Energy: 0.8963452685761137
Energy: 1.115290362326985
Energy: 0.9088934254109488
Energy: 1.1152903623276358
Energy: 0.8869644532775355
Energy: 0.8953120561960559
Energy: 1.1895723386377695
Energy: 0.8953120561980081
Energy: 0.8835490507861968
Energy: 1.081690108824903
Energy: 0.8847524632102656
Energy: 1.0816901088294577
Energy: 0.8766507639432009
Energy: 0.9873058203953661
Energy: 1.0822559297559395
Energy: 0.9873058203947154
Energy: 1.4302411603099552
Energy: 1.0085172952346313
Energy: 0.8839256725765177
Energy: 1.0085172952404873
Energy: 0.8853587202070563
Energy: 0.8926240105894704
Energy: 1.0948915759236435
Energy: 0.8926240105888197
Energy: 1.3664629118690992
Energy: 0.8881746392854099
Energy: 0.8975293709452306
Energy: 0.8881746392847591
Energy: 0.8971522558526245
Energy: 0.9895852137594552
Energy: 1.240778815626427
Energy: 0.9895852137601058
Energy: 0.9897624749193282
Energy: 1.0867630289976382
Energy: 0.8864570036365687
Energy: 1.0867630289976382
Energy: 0.8840340390654302
Energy: 0.8874377721553346
Energy: 1.1353522309930515
Energy: 0.8874377721559852
Energy: 0.9483240983867195
Energy: 0.9872644955001011
Energy: 0.8783142845628802
Energy: 0.9872644955007517
Energy: 0.8850958726474276
Energy: 0.9600028342359126
Energy: 0.8830975813640515
Energy: 0.9600028342346113
Energy: 1.074580658813828
Energy: 1.1095490066821745
Energy: 0.8883311730307863
Energy: 1.1095490066834757
Energy: 0.9127738462791659
Energy: 1.1155150893986936
Energy: 0.8964807104833887
Energy: 1.115515089399344
Energy: 0.9011705724185741
Energy: 1.105111400585946
Energy: 0.9012719999903067
Energy: 1.105111400585946
Energy: 0.8845379186198715
Energy: 1.1056830792811358
Energy: 0.9059823746114956
Energy: 1.1056830792817867
Energy: 0.8751442738787616
Energy: 0.9568844306398563
Energy: 0.8762936122352077
Energy: 0.9568844306398563
Energy: 0.8859127534157325
Energy: 1.0965785666634422
Energy: 0.883560904943089
Energy: 1.0965785666634422
Energy: 0.8882227039537357
Energy: 1.1136033680318718
Energy: 1.0863235141097498
Energy: 1.1136033680305704
Energy: 0.9328917417769249
Energy: 1.1276086453128342
Energy: 0.8910340492938913
Energy: 1.127608645310882
Energy: 0.8796961368106725
Energy: 0.9868396801691626
Energy: 0.9075254844618036
Energy: 0.9868396801691626
Energy: 0.8927381797404225
Energy: 1.0937403966829744
Energy: 0.9000763934842172
Energy: 1.093740396683625
Energy: 0.8866264402103395
Energy: 1.2384610509869032
Energy: 0.9447204423613763
Energy: 1.2384610509882046
Energy: 1.1912590241650611
Energy: 0.8989322081750587
Energy: 0.8853850506767217
Energy: 0.8989322081744081

minimum gb energy = 0.8751442738787616 eV
minimum distance =  2.30230698341595 Angstroms
sigma value = 89


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

Energy: 0.800261109280291
Energy: 0.8012494999507208
Energy: 1.0755338929941296
Energy: 0.8012494999507208
Energy: 0.8016506851141237
Energy: 0.8225049744406239
Energy: 0.8119849748259096
Energy: 0.8225049744406239
Energy: 0.8102446609793422
Energy: 1.2083296202482734
Energy: 1.4725299910365788
Energy: 1.2083296202482734
Energy: 0.8629864032851374
Energy: 0.822200898111293
Energy: 0.812124099421179
Energy: 0.8222008981095906
Energy: 0.8097647382809513
Energy: 1.149449304338794
Energy: 1.454198705318105
Energy: 1.149449304338794
Energy: 0.8097598906868311
Energy: 0.8008195295402606
Energy: 0.802909038292926
Energy: 0.8008195295402606
Energy: 0.8104660099116067
Energy: 0.9428873988839093
Energy: 0.800486227494445
Energy: 0.9428873988839093
Energy: 0.8305126309970073
Energy: 1.2076296875353674
Energy: 0.8119855879914688
Energy: 1.2076296875353674
Energy: 0.8110357235931981
Energy: 0.8861943042428726
Energy: 0.803182286476738
Energy: 0.8861943042428726
Energy: 0.8216613362684476
Energy: 1.1492608311474364
Energy: 0.8104665255341033
Energy: 1.1492608311457342
Energy: 0.799928494104922
Energy: 0.8228379579530372
Energy: 0.8096005534356876
Energy: 0.8228379579530372
Energy: 0.8001292910133172
Energy: 0.9439861182223713
Energy: 0.8120700001239826
Energy: 0.9439861182223713
Energy: 0.8111546315692569
Energy: 1.1509252183941174
Energy: 0.8305895856289723
Energy: 1.1509252183924148
Energy: 0.8111280166168807
Energy: 0.8835722486177058
Energy: 0.8097363369999006
Energy: 0.8835722486177058
Energy: 0.8033765281720365
Energy: 1.150844488832134
Energy: 0.8110840257152666
Energy: 1.150844488832134

minimum gb energy = 0.799928494104922 eV
minimum distance =  2.29304036553917 Angstroms
sigma value = 13


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

Energy: 0.7993567823556775
Energy: 1.01267780109667
Energy: 1.2257789243230548
Energy: 1.01267780109667
Energy: 1.2656552764579267
Energy: 1.024890350023758
Energy: 0.7741529938328208
Energy: 1.02489035002019
Energy: 0.7783863068100233
Energy: 1.03481383232847
Energy: 0.9705099707545307
Energy: 1.0348138323270426
Energy: 0.7742298131596416
Energy: 1.0246906290741036
Energy: 0.7720887975522918
Energy: 1.0246906290776712
Energy: 0.7852064861763575
Energy: 1.1980555163300175
Energy: 0.8200197241049881
Energy: 1.1980555163314446
Energy: 0.7743633063354707
Energy: 0.9095091686324678
Energy: 0.7834077212885704
Energy: 0.9095091686331813
Energy: 0.7829465691483543
Energy: 1.0195402328732148
Energy: 1.0508197926658496
Energy: 1.0195402328767178
Energy: 0.7758979817305309
Energy: 1.0457295094011834
Energy: 0.7836519115893639
Energy: 1.0457295093991077
Energy: 0.7829487194197572
Energy: 0.9564528374023371
Energy: 0.9916433843250237
Energy: 0.9564528374030506
Energy: 0.9509620866651863
Energy: 1.246066524952188
Energy: 0.7719816680529074
Energy: 1.246066524954329
Energy: 0.7844660893809087
Energy: 1.0149170082809247
Energy: 0.7706444519690847
Energy: 1.0149170082809247
Energy: 1.0557687702690612
Energy: 1.2295787422072488
Energy: 0.7779022984440258
Energy: 1.2295787422058218
Energy: 0.8076345517820142
Energy: 0.7871007262911685
Energy: 0.7967120849028043
Energy: 0.7871007264823446
Energy: 1.027851697292453
Energy: 0.9658841574285774
Energy: 0.7779353572886861
Energy: 0.9658841574250093
Energy: 0.785073663430364
Energy: 0.9218539139715197
Energy: 0.7878815644563093
Energy: 0.9218539139030155
Energy: 0.7728626511276296
Energy: 0.9660452742699169
Energy: 0.7793300980934561
Energy: 0.9660452742720577
Energy: 0.7824079977991535
Energy: 1.1249447028449968
Energy: 0.7792140300905389
Energy: 1.1249447028449968
Energy: 0.804325292937294
Energy: 0.8369572538465259
Energy: 0.7919623176811668
Energy: 0.8369572538450986
Energy: 0.7833297769149679
Energy: 1.0971561572345678
Energy: 0.792250838976759
Energy: 1.0971561572317783
Energy: 0.7830430061189729
Energy: 1.096996384695824
Energy: 0.7926956723684482
Energy: 1.0969963846965374
Energy: 0.8044887647918942
Energy: 0.8371674163453556
Energy: 0.7922206463420444
Energy: 0.8371674163482099
Energy: 0.7826981420082259
Energy: 1.1248204833480144
Energy: 0.779207087629639
Energy: 1.124820483349442
Energy: 0.7729300032880398
Energy: 0.9660924748026982
Energy: 0.7792430818585228
Energy: 0.9660924748055526
Energy: 0.7845620864953735
Energy: 0.9167005881798201
Energy: 0.7793537100016181
Energy: 0.9167005881855287
Energy: 1.04940737146968
Energy: 0.9660991621042734
Energy: 0.7778495127386541
Energy: 0.9660991621042734
Energy: 0.8078925027517169
Energy: 0.787034348498927
Energy: 0.7855112192489594
Energy: 0.7870343484925046
Energy: 1.0553559060481126
Energy: 1.2295084735134894
Energy: 0.7780289198104213
Energy: 1.2295084735134894
Energy: 0.7834606672099607
Energy: 1.0147746360048329
Energy: 0.7701598983292179
Energy: 1.0147746360019785
Energy: 0.9512775898035443
Energy: 1.2460981056235811
Energy: 0.7719300744327017
Energy: 1.246098105622154
Energy: 0.7860510562916347
Energy: 0.9564128248784867
Energy: 0.9004391446735032
Energy: 0.9564128249611976
Energy: 0.775587120231113
Energy: 1.0461167797055038
Energy: 0.7836175836022718
Energy: 1.046116779703363
Energy: 0.7825965379065132
Energy: 1.0189683313923297
Energy: 1.1360192893804384
Energy: 1.018968331393043
Energy: 0.774573739244781
Energy: 0.9091628494277156
Energy: 0.783680982622037
Energy: 0.9091628494270022
Energy: 0.7847500283707699
Energy: 1.2348299069628261
Energy: 1.0508008010393786
Energy: 1.2348299069649666
Energy: 0.7738894889192699
Energy: 1.0259101566377515
Energy: 0.7720943398110344
Energy: 1.0259101566370379

minimum gb energy = 0.7701598983292179 eV
minimum distance =  2.28380952245966 Angstroms
sigma value = 37


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

Energy: 0.8416339686121896
Energy: 0.8416895168133781
Energy: 0.9127151175068188
Energy: 0.8416895168133781
Energy: 1.2818718374645148
Energy: 0.9251376214178827
Energy: 0.7166684491286998
Energy: 0.9251376214191105
Energy: 0.7297890298105756
Energy: 1.1534865967590366
Energy: 1.00960672230433
Energy: 1.1534865967590366
Energy: 0.8068036630536262
Energy: 0.8313763108482358
Energy: 0.7173269743217419
Energy: 0.8313763108482358
Energy: 0.7164466941640044
Energy: 0.9252586169047509
Energy: 0.7880046185787775
Energy: 0.9252586169035231
Energy: 0.7220181184917093
Energy: 1.0255686327384537
Energy: 0.8083802998836009
Energy: 1.0255686327384537
Energy: 0.723856409121466
Energy: 1.1388523471807608
Energy: 1.0479188005221598
Energy: 1.138852347179533
Energy: 0.7062721431219997
Energy: 0.7332703813908785
Energy: 0.735351526202364
Energy: 0.7332703813908785
Energy: 0.7173468646540738
Energy: 0.9255649248450016
Energy: 0.941689587909299
Energy: 0.9255649248450016
Energy: 1.014660748106735
Energy: 1.154748754191465
Energy: 0.8083065514057407
Energy: 1.154748754191465
Energy: 0.7166637235106733
Energy: 1.069179655828213
Energy: 0.8073432882859727
Energy: 1.069179655828213
Energy: 0.9646763187499772
Energy: 1.0276356302933145
Energy: 0.7172538881616566
Energy: 1.0276356302945424
Energy: 0.8113367462913987
Energy: 1.142050023962256
Energy: 0.7095004135481655
Energy: 1.142050023962256
Energy: 1.0493316880188321
Energy: 1.1399762137907186
Energy: 0.7054626171784781
Energy: 1.1399762137907186
Energy: 0.8406999853278223
Energy: 0.8600942526509754
Energy: 0.7056125113892873
Energy: 0.8600942526509754
Energy: 0.8411869825466207
Energy: 1.027661218669084
Energy: 0.7159973183697911
Energy: 1.027661218669084
Energy: 0.8115380475870635
Energy: 0.9537181887818067
Energy: 0.7217584734235669
Energy: 0.9537181887818067
Energy: 0.8064017506069868
Energy: 1.1826134305282965
Energy: 0.7161927275603257
Energy: 1.1826134305282965
Energy: 0.7167005163180286
Energy: 1.0287177375446932
Energy: 0.7165104943251405
Energy: 1.0287177375446932
Energy: 0.7159698453225851
Energy: 1.1722544989327426
Energy: 0.8059574003812809
Energy: 1.1722544989327426

minimum gb energy = 0.7054626171784781 eV
minimum distance =  2.25879565234059 Angstroms
sigma value = 25


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

Energy: 0.6789193387141541
Energy: 0.9394067855766338
Energy: 0.6634107796849458
Energy: 0.9394067855766338
Energy: 1.162178286193046
Energy: 0.9484668089524873
Energy: 0.6459739169207674
Energy: 0.9484668089534459
Energy: 0.6422939940671009
Energy: 0.6428744170927164
Energy: 1.2393057960351057
Energy: 0.6428744170927164
Energy: 0.7863111667090119
Energy: 0.9482892779480352
Energy: 0.6460406035436181
Energy: 0.9482892779480352
Energy: 0.6472648705254587
Energy: 0.9483448576727549
Energy: 0.6278324423454127
Energy: 0.9483448576727549
Energy: 0.6275142117872072
Energy: 0.9481085868502038
Energy: 0.6459680693587747
Energy: 0.9481085868502038
Energy: 0.6476264199707105
Energy: 0.7914590922141578
Energy: 0.8381458454311544
Energy: 0.7914590922151165
Energy: 0.6302510601526226
Energy: 0.8197176526850919
Energy: 0.6435092890863547
Energy: 0.8197176526850919
Energy: 0.6476159852341216
Energy: 0.9485711487460371
Energy: 0.9711060964034631
Energy: 0.9485711487469959
Energy: 0.6318421848674329
Energy: 0.9395169132554004
Energy: 0.6802569914537019
Energy: 0.9395169132554004
Energy: 0.6476527394319104
Energy: 0.7913786854082375
Energy: 0.9417921577983323
Energy: 0.7913786854082375
Energy: 0.8836925434713419
Energy: 0.9954961686929521
Energy: 0.6437992010774248
Energy: 0.9954961686919933
Energy: 0.6471116833380025
Energy: 0.9486051288621254
Energy: 0.7870435974116856
Energy: 0.9486051288611667
Energy: 0.8553950464990044
Energy: 0.9790618332630602
Energy: 0.6457451774845658
Energy: 0.9790618332640189
Energy: 0.6478124439827356
Energy: 0.7906967711323323
Energy: 0.6274931502152036
Energy: 0.790696771133291
Energy: 0.8387808168362932
Energy: 1.1174116051252585
Energy: 0.6498112242860198
Energy: 1.117411605126217
Energy: 0.6476340440856955
Energy: 0.8199763962472425
Energy: 0.630345725571165
Energy: 0.8199763962472425
Energy: 0.8040576062955181
Energy: 0.99811974215257
Energy: 0.6460375812002006
Energy: 0.9981197421535288
Energy: 0.6830812042488994
Energy: 1.0332527656326602
Energy: 0.6311896323037279
Energy: 1.0332527656317014
Energy: 0.9409183756136769
Energy: 1.0880832636069317
Energy: 0.648815098951242
Energy: 1.0880832636078905
Energy: 0.6475122824584302
Energy: 0.9987169133329538
Energy: 0.6399860915813773
Energy: 0.9987169133329538
Energy: 0.642240744017721
Energy: 0.9488411169538328
Energy: 0.6480479820039381
Energy: 0.9488411169538328
Energy: 0.6477642108090551
Energy: 1.0212249748289306
Energy: 0.8565380646620856
Energy: 1.0212249748289306
Energy: 0.6275512489946827
Energy: 1.085074600678668
Energy: 0.6487104797308707
Energy: 1.0850746006796266
Energy: 0.6460111540147607
Energy: 1.1168532441143282
Energy: 0.8379604047703498
Energy: 1.1168532441143282
Energy: 0.6324140126280237
Energy: 0.8198641490089112
Energy: 0.6484941244645611
Energy: 0.8198641490089112

minimum gb energy = 0.6274931502152036 eV
minimum distance =  2.30150078062684 Angstroms
sigma value = 41


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

Energy: 0.8307203057321697
Energy: 0.8321220791061614
Energy: 0.7961232843375479
Energy: 0.8321220791061614
Energy: 1.1378565220937629
Energy: 0.8258386833574509
Energy: 0.5817128676373464
Energy: 0.8258386833566649
Energy: 0.5984594391492749
Energy: 0.8200665358560228
Energy: 1.156467354235305
Energy: 0.8200665358583807
Energy: 0.8220483227049676
Energy: 0.8258179802639208
Energy: 0.5816095686087253
Energy: 0.8258179802631347
Energy: 0.5780175633971657
Energy: 0.8432999104004536
Energy: 0.5719508590054367
Energy: 0.8432999108270484
Energy: 0.6983227024060304
Energy: 0.8255160234324697
Energy: 0.5817108006044237
Energy: 0.8255160234316837
Energy: 0.5810836248625559
Energy: 0.8251482731929292
Energy: 0.7508669138869016
Energy: 0.8251482731929292
Energy: 0.5704722821992371
Energy: 0.7150897388634292
Energy: 0.5787594471372437
Energy: 0.7150897388626434
Energy: 0.5841164464533045
Energy: 0.9709242507825873
Energy: 0.8964560022079279
Energy: 0.9709242507833732
Energy: 0.5722087401010177
Energy: 0.8205159654519626
Energy: 0.5993051584127833
Energy: 0.8205159654527485
Energy: 0.5810806150062389
Energy: 0.8273935333953307
Energy: 0.9808125566273312
Energy: 0.8273935333976887
Energy: 0.573253697146603
Energy: 0.8333198650690337
Energy: 0.83143398083053
Energy: 0.8333198650690337
Energy: 0.5838283675645369
Energy: 0.9694601616888899
Energy: 1.0751318013388753
Energy: 0.9694601616881041
Energy: 0.7857963597978542
Energy: 1.1001186948519535
Energy: 0.5992030664106531
Energy: 1.1001186948527395
Energy: 0.5810578112621866
Energy: 0.8264449608574109
Energy: 0.8221847309086286
Energy: 0.8264449608574109
Energy: 0.7656404830380859
Energy: 0.8603322211909626
Energy: 0.5786960458527531
Energy: 0.8603322211917485
Energy: 0.5837567754315908
Energy: 0.9694222826762717
Energy: 0.7618521457582484
Energy: 0.9694222826778438
Energy: 0.7496362451959361
Energy: 1.1349285163951037
Energy: 0.5816748978511544
Energy: 1.1349285163951037
Energy: 0.5810736332669467
Energy: 0.7159586116320662
Energy: 0.5706656343170197
Energy: 0.7159586116320662
Energy: 0.7459850445040573
Energy: 0.919137864721035
Energy: 0.5861657165779143
Energy: 0.9191378647186772
Energy: 0.6013458376193016
Energy: 1.0442131995551884
Energy: 0.5726044570958235
Energy: 1.0442131995559742
Energy: 0.9814828443645655
Energy: 1.0977976600829726
Energy: 0.581947731056219
Energy: 1.0977976600837587
Energy: 0.8338473709252187
Energy: 0.8320961591882161
Energy: 0.5731164011693067
Energy: 0.8320961591890019
Energy: 0.8337461118441679
Energy: 0.9681580037439674
Energy: 0.5834784587141116
Energy: 0.9681580037439674
Energy: 0.6014165006903109
Energy: 1.0443807949299848
Energy: 0.5785716135879506
Energy: 1.0443807949284132
Energy: 0.819818351479398
Energy: 1.0965826657932471
Energy: 0.5819106180931639
Energy: 1.0965826657932471
Energy: 0.5810947789589005
Energy: 0.8685585168176915
Energy: 0.7659704789201908
Energy: 0.8685585168161196
Energy: 0.5787571413462178
Energy: 0.9689263117419694
Energy: 0.5836265008203805
Energy: 0.9689263117403976
Energy: 0.5840565424494024
Energy: 1.0595906664882409
Energy: 0.7501212755057307
Energy: 1.0595906664898127
Energy: 0.5711551562288271
Energy: 0.9957028633860997
Energy: 0.5844777656607075
Energy: 0.9957028633860997
Energy: 0.5859286735103674
Energy: 0.9182690680100087
Energy: 0.7457530519968791
Energy: 0.9182690680115805
Energy: 0.5740851055382105
Energy: 1.043498440739751
Energy: 0.6047322061357165
Energy: 1.043498440739751

minimum gb energy = 0.5704722821992371 eV
minimum distance =  2.26371934536578 Angstroms
sigma value = 15


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

Energy: 0.7541161715433398
Energy: 0.9840877060650026
Energy: 0.9228463459280583
Energy: 0.9840877060663342
Energy: 1.1156921705915732
Energy: 0.8679957007232418
Energy: 0.5442870340382704
Energy: 0.8679957007212443
Energy: 0.561705562446842
Energy: 0.7428023342558817
Energy: 0.6756631738366693
Energy: 0.7428023342418997
Energy: 1.0851432508309695
Energy: 0.8713895511823614
Energy: 0.5441382840547384
Energy: 0.871389551180364
Energy: 0.5418726422941913
Energy: 1.0461175785554353
Energy: 0.5264817305774426
Energy: 1.0461175785587644
Energy: 0.7355974031323088
Energy: 0.8675259613904263
Energy: 0.5444223663989489
Energy: 0.8675259613890947
Energy: 0.5437556171921538
Energy: 0.7479757070715409
Energy: 0.6817527233208491
Energy: 0.7479757070708751
Energy: 0.6317254100524586
Energy: 0.7472958803589763
Energy: 0.5443110278580401
Energy: 0.7472958803596422
Energy: 0.5456756741876179
Energy: 0.9875644959904004
Energy: 0.8328746403599422
Energy: 0.9875644959904004
Energy: 0.5259496479780073
Energy: 1.0326049546863767
Energy: 0.5424152330047096
Energy: 1.0326049546857108
Energy: 0.543857536125888
Energy: 0.8636751423049922
Energy: 0.9267127562655801
Energy: 0.8636751423043264
Energy: 0.5276535234950116
Energy: 0.7402386855603251
Energy: 0.5623855817837458
Energy: 0.7402386855616568
Energy: 0.5456989097044745
Energy: 0.9896590222580501
Energy: 0.9941400927636111
Energy: 0.9896590222573843
Energy: 0.5276924812752023
Energy: 0.9836620849447604
Energy: 0.7542999185434935
Energy: 0.9836620849440946
Energy: 0.5438008778309115
Energy: 0.8671806167058755
Energy: 1.0138994736382096
Energy: 0.867180616703878
Energy: 0.7107519334180157
Energy: 0.7417268427390664
Energy: 0.5621013805293369
Energy: 0.7417268427364031
Energy: 0.5454543779572429
Energy: 0.9893000329922176
Energy: 0.8717865566017666
Energy: 0.9893000329922176
Energy: 0.6945572226877256
Energy: 1.0447371330893982
Energy: 0.5424145534798156
Energy: 1.044737133087401
Energy: 0.543810887001465
Energy: 0.8669008694929986
Energy: 0.7376129652268233
Energy: 0.8669008694923328
Energy: 0.6801351801687661
Energy: 0.7651204230249816
Energy: 0.5442383956748303
Energy: 0.7651204230243158
Energy: 0.5454917575508365
Energy: 0.8832929628886884
Energy: 0.6304327490920923
Energy: 0.8832929628853594
Energy: 0.678795990667305
Energy: 0.9842085196237585
Energy: 0.5477459239060095
Energy: 0.984208519622427
Energy: 0.543824293655941
Energy: 0.9421547950633531
Energy: 0.5255560814606324
Energy: 0.9421547950633531
Energy: 0.9223606494510808
Energy: 0.8634817831865133
Energy: 0.5443958196886891
Energy: 0.8634817831858475
Energy: 0.5636085834653046
Energy: 1.049039133198699
Energy: 0.5284606705037944
Energy: 1.0490391331967017
Energy: 0.8961833794321512
Energy: 0.9862692103115334
Energy: 0.5476678197210151
Energy: 0.9862692103108675
Energy: 0.7559100396218267
Energy: 0.977409611115824
Energy: 0.5463934905325083
Energy: 0.9774096111164898
Energy: 1.0129374340384603
Energy: 0.867705493280083
Energy: 0.5441924075353481
Energy: 0.8677054932814146
Energy: 0.5634983192068205
Energy: 1.058935866485138
Energy: 0.5316102226572023
Energy: 1.058935866485804
Energy: 0.7412091252942669
Energy: 0.986258366255478
Energy: 0.5479852385935015
Energy: 0.9862583662548122
Energy: 0.5439199051973389
Energy: 1.0420879254841253
Energy: 0.7082878026914978
Energy: 1.0420879254841253
Energy: 0.7351314690378167
Energy: 0.8672187080926738
Energy: 0.5441733611604278
Energy: 0.8672187080926738
Energy: 0.5456699185172447
Energy: 1.0374409696737448
Energy: 0.6800222361393163
Energy: 1.0374409696744105
Energy: 0.5312992703997441
Energy: 0.8832066422386429
Energy: 0.5480649917553421
Energy: 0.8832066422366454
Energy: 0.5402897224211884
Energy: 0.9834081697733487
Energy: 0.6788014897018024
Energy: 0.9834081697720171
Energy: 0.5255837706529445
Energy: 0.9401971477272265
Energy: 0.5460471896970315
Energy: 0.9401971477258949
Energy: 0.5455616493290972
Energy: 1.0024029179471075
Energy: 0.9196438964876725
Energy: 1.0024029179477731

minimum gb energy = 0.5255560814606324 eV
minimum distance =  2.31179615571771 Angstroms
sigma value = 85


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

Energy: 0.7069501593187095
Energy: 0.942315530471682
Energy: 0.5851101420362291
Energy: 0.9423155304722595
Energy: 1.0884376234163988
Energy: 0.8129190389561473
Energy: 0.496432208073533
Energy: 0.8129190389555698
Energy: 0.6783215713865365
Energy: 0.67862683865252
Energy: 0.5931493351990236
Energy: 0.67862683865252
Energy: 1.0520167149059476
Energy: 0.8125236476033161
Energy: 0.49652192371199505
Energy: 0.8125236476027387
Energy: 0.5205873986240797
Energy: 0.6590386086217741
Energy: 0.4714485437539132
Energy: 0.6590386086223252
Energy: 0.7709531736624993
Energy: 0.8247956395013534
Energy: 0.4964246471289945
Energy: 0.8247956395019308
Energy: 0.4941669686518623
Energy: 0.6921999921425123
Energy: 0.605463116143044
Energy: 0.6921999921419347
Energy: 0.6503862010551128
Energy: 0.8125797942395155
Energy: 0.4965202627547884
Energy: 0.8125797942395155
Energy: 0.4959017307327133
Energy: 0.6696664832211878
Energy: 0.7291067876199939
Energy: 0.6696664832206104
Energy: 0.5606721162996247
Energy: 0.6937998344104623
Energy: 0.4945444513056423
Energy: 0.693799834420279
Energy: 0.49746807411786215
Energy: 0.8003567573735123
Energy: 0.8131572856231438
Energy: 0.8003567573740897
Energy: 0.47091178546163687
Energy: 0.9576657009898393
Energy: 0.521151327240949
Energy: 0.9576657009898393
Energy: 0.4960494455621291
Energy: 0.668543663301077
Energy: 0.8938717005814861
Energy: 0.6685436633022318
Energy: 0.4730920702811887
Energy: 0.6787170773544011
Energy: 0.6788876799853434
Energy: 0.6787170773538499
Energy: 0.496896614168215
Energy: 0.8120597776157304
Energy: 0.9836372763931124
Energy: 0.8120597776157304
Energy: 0.4724581096082632
Energy: 0.9425070431633764
Energy: 0.7075009326523719
Energy: 0.9425070431633764
Energy: 0.4959904345684476
Energy: 0.6682719811904543
Energy: 0.9835177674066845
Energy: 0.6682719811881445
Energy: 0.6228899218632644
Energy: 0.6801245452105518
Energy: 0.6789270414687197
Energy: 0.6801245452053546
Energy: 0.49775837793357625
Energy: 0.8120722792474495
Energy: 0.8893232138106044
Energy: 0.8120722792474495
Energy: 0.6066935973360074
Energy: 0.9858253410415193
Energy: 0.5212473375118003
Energy: 0.9858253410415193
Energy: 0.4959192769762566
Energy: 0.6678218320975771
Energy: 0.7709762645161812
Energy: 0.6678218320987319
Energy: 0.6067291521460523
Energy: 0.6993510559738535
Energy: 0.49460893756687097
Energy: 0.6993510559738535
Energy: 0.4973739762371334
Energy: 0.8039527689748978
Energy: 0.6502438445382313
Energy: 0.8039527689748978
Energy: 0.6088363406162606
Energy: 0.9581777820366177
Energy: 0.4964742537651522
Energy: 0.9581777820366177
Energy: 0.49604277327819757
Energy: 0.6001670314695896
Energy: 0.5606025379670204
Energy: 0.6001670314695896
Energy: 0.8117134466669319
Energy: 0.799990996599087
Energy: 0.4975255465183545
Energy: 0.7999909965996644
Energy: 0.5223880690862273
Energy: 0.8798267205523926
Energy: 0.4720448168996456
Energy: 0.8798267205529701
Energy: 0.8126406958704706
Energy: 0.9492559948478959
Energy: 0.4963433879176523
Energy: 0.9492559948478959
Energy: 0.6801935425225627
Energy: 0.67964630833336
Energy: 0.47288532833735714
Energy: 0.6796463083339375
Energy: 0.982902760713693
Energy: 0.8048237712291437
Energy: 0.49837943382781
Energy: 0.8048237712291437
Energy: 0.7090446654059295
Energy: 0.9177281417665814
Energy: 0.4723564793494722
Energy: 0.9177281417654264
Energy: 0.9055357851198073
Energy: 0.9495457153878718
Energy: 0.4964632526599044
Energy: 0.9495457153878718
Energy: 0.6803064759104072
Energy: 0.6795695934665876
Energy: 0.4793730677659891
Energy: 0.6795695934665876
Energy: 0.8894012852465449
Energy: 0.8047611037942373
Energy: 0.49782918371282503
Energy: 0.8047611037948148
Energy: 0.5224268283194207
Energy: 0.9641403567465452
Energy: 0.6069159412940456
Energy: 0.9641403567471226
Energy: 0.6595672494824292
Energy: 0.9483671632464643
Energy: 0.49634674005396695
Energy: 0.9483671632470417
Energy: 0.495963272023418
Energy: 0.699107369010702
Energy: 0.6060236622481711
Energy: 0.6991073690101246
Energy: 0.6502129200497867
Energy: 0.8043497925083419
Energy: 0.49831821884338307
Energy: 0.8043497925083419
Energy: 0.4975664050436412
Energy: 0.9279454508907912
Energy: 0.6081533047356796
Energy: 0.9279454508907912
Energy: 0.4770655508718793
Energy: 0.8395963303430898
Energy: 0.4975682894606817
Energy: 0.8395963303430898
Energy: 0.49596462145718134
Energy: 0.7540116803404061
Energy: 0.8119344408904543
Energy: 0.7540116803271507
Energy: 0.47083347360875377
Energy: 0.8660587354892001
Energy: 0.5248370363247987
Energy: 0.8660587354892001
Energy: 0.4978650795870987
Energy: 0.9257757825110168
Energy: 0.8122752557549319
Energy: 0.9257757825110168

minimum gb energy = 0.47083347360875377 eV
minimum distance =  2.27201389795741 Angstroms
sigma value = 113


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

Energy: 0.015499874879999945
Energy: 0.01616662780483507
Energy: 0.8070359363763363
Energy: 0.01616662780441581
Energy: 0.806406308970506
Energy: 0.25588575715484896
Energy: 0.25544475329820365
Energy: 0.2558857571552929
Energy: 0.015499874879999945
Energy: 0.01616662780483507
Energy: 0.8070281804960241
Energy: 0.01616662780397189
Energy: 0.8064063089709254
Energy: 0.25588575715484896
Energy: 0.2554447532986476
Energy: 0.2558857571552929
Energy: 0.015499874879999945
Energy: 0.01616662780483507
Energy: 0.8070266466712614
Energy: 0.01616662780441581
Energy: 0.8064063089709254
Energy: 0.25588575715484896
Energy: 0.25544475329820365
Energy: 0.2558857571552929

minimum gb energy = 0.015499874879999945 eV
minimum distance =  2.54253963520832 Angstroms
sigma value = 1