Model name: model_name=EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855312779545784
cohesive_energy=4.013297914062382
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -1.0020108799634038e-16, -3.0671268392978995e-16]
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: 0.012404569351011866
Energy: 0.9400963191312547
Energy: 1.6628227793118773
Energy: 0.012632325068059237
Energy: 0.9400963191312547
Energy: 0.21446708708762596
Energy: 0.9395645856406574
Energy: 0.21446708708762596
Energy: 1.6628227793099224
Energy: 0.9395645856406574
Energy: 1.2680603303209734
Energy: 0.9395645856406574
Energy: 0.012632325069036682
Energy: 0.21446708708762596
Energy: 0.9395645856396799
Energy: 0.21446708708762596

minimum gb energy = 0.012404569351011866 eV
minimum distance =  2.43119951355059 Angstroms
sigma value = 1


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

Energy: 2.0015174764105454
Energy: 0.8975596355416425
Energy: 0.8985790776177932
Energy: 1.0146484781547034
Energy: 1.769706651364215
Energy: 0.9657181547630862
Energy: 0.9690525738528867
Energy: 0.9657181547643056
Energy: 1.7824312361662102
Energy: 0.8995604809870552
Energy: 0.8995822484336082
Energy: 0.8995604809894938
Energy: 1.7746880196726234
Energy: 0.9258530063602434
Energy: 0.8988184926245542
Energy: 0.9258530063614625
Energy: 1.850445285693203
Energy: 0.8979799196565048
Energy: 1.2947365709523708
Energy: 0.8979799196577242
Energy: 1.7761423139068935
Energy: 0.9260205597105337
Energy: 1.2115869023143508
Energy: 0.9260205597117529
Energy: 1.6972062013987563
Energy: 0.899042046652191
Energy: 1.2277838407664141
Energy: 0.899042046652191
Energy: 1.5197107716644505
Energy: 0.8977525258849925
Energy: 1.1914143057956803
Energy: 0.8977525258825539
Energy: 1.4545854263523834
Energy: 0.8972634188304384
Energy: 1.1913570614934004
Energy: 0.8972634188279999
Energy: 1.5291180254334893
Energy: 0.9634747849793355
Energy: 1.5260218701341701
Energy: 0.963474784976897
Energy: 1.515568195986794
Energy: 0.8976388600757239
Energy: 1.4379610016170141
Energy: 0.8976388600745047
Energy: 1.1939399981909606
Energy: 0.8977328085833546
Energy: 1.525854287538557
Energy: 0.8977328085833546
Energy: 1.2591983725521472
Energy: 0.90059122191291
Energy: 1.5169704026920907
Energy: 0.9005912219153486
Energy: 1.2166470029726195
Energy: 0.9256008291418202
Energy: 1.7766955328725682
Energy: 0.9256008291406008
Energy: 1.221262323637334
Energy: 0.898038798841376
Energy: 1.5949133328971947
Energy: 0.8980387988438148
Energy: 0.8976303599219646
Energy: 0.9257502879208124
Energy: 1.780402520040492
Energy: 0.9257502879183738
Energy: 0.8994761798885719
Energy: 0.8990117558820996
Energy: 1.7833641525192023
Energy: 0.899011755879661
Energy: 0.967225472324895
Energy: 0.9650879295345721
Energy: 1.7664292949282336
Energy: 0.9650879295333529
Energy: 0.8980909442699123
Energy: 0.8980894900876107
Energy: 1.6764123677240024
Energy: 0.8980894900851724
Energy: 1.0129500973706491
Energy: 0.9654898639995726
Energy: 1.7664433916956928
Energy: 0.9654898639934762
Energy: 1.0064030342230794
Energy: 0.8984850761563524
Energy: 1.7768866489136144
Energy: 0.898485076158791
Energy: 1.0040656735262627
Energy: 0.897514853704949
Energy: 1.6979770488290913
Energy: 0.8975148537073876
Energy: 1.0065724242443541
Energy: 0.897266674699329
Energy: 1.5155393452181167
Energy: 0.8972666747005482
Energy: 1.358635089900236
Energy: 0.8978565278270751
Energy: 1.69940535198516
Energy: 0.8978565278258558
Energy: 1.383668280865441
Energy: 1.0501097146416953
Energy: 1.6872913215459233
Energy: 1.0501097146392566
Energy: 1.3590600936543011
Energy: 1.157438415282415
Energy: 1.3550949038701299
Energy: 1.1574384152811958
Energy: 1.3589385964672465
Energy: 1.1575407354612015
Energy: 1.3588034478558764
Energy: 1.1575407354624208
Energy: 1.6984628076110895
Energy: 0.8999686568718126
Energy: 1.3542966369120923
Energy: 0.8999686568766897
Energy: 1.5913500050272018
Energy: 0.8973828385224332
Energy: 1.3646859946348213
Energy: 0.8973828385224332
Energy: 1.5916568206606065
Energy: 0.897792479015937
Energy: 1.0055525491754473
Energy: 0.897792479015937
Energy: 1.6875773614076433
Energy: 0.8980146068757131
Energy: 1.0211836916232946
Energy: 0.8980146068781517
Energy: 1.7689514297329516
Energy: 0.898990827179487
Energy: 1.0454401458324682
Energy: 0.8989908271880221
Energy: 1.7662927345574002
Energy: 0.8977202339993724
Energy: 0.9887619065233689
Energy: 0.8977202340030302

minimum gb energy = 0.8972634188279999 eV
minimum distance =  2.3118170223717 Angstroms
sigma value = 1


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

Energy: 2.217737538679075
Energy: 0.9327073329553802
Energy: 0.9321364655958967
Energy: 1.0962013801619825
Energy: 1.7300169885253258
Energy: 1.0092853855327402
Energy: 1.0088298646819824
Energy: 1.0092853855313502
Energy: 1.7271492110852655
Energy: 0.9321093612968698
Energy: 0.9317425360396776
Energy: 0.9321093612968698
Energy: 1.7145325292167206
Energy: 1.0091803429303496
Energy: 1.0129661737292825
Energy: 1.0091803429303496
Energy: 1.8680090285269801
Energy: 0.9326042594830881
Energy: 1.091455222833598
Energy: 0.9326042594441937
Energy: 1.7160256048501437
Energy: 1.009185228383062
Energy: 1.2317076008102217
Energy: 1.0091852283844522
Energy: 1.7271023191111028
Energy: 0.9345028027567657
Energy: 1.1567846134667317
Energy: 0.9345028027567657
Energy: 1.543485219817974
Energy: 1.087033133770289
Energy: 1.1624025911663896
Energy: 1.087033133768899
Energy: 1.5300581340884292
Energy: 0.9319806023904567
Energy: 1.1631912748352846
Energy: 0.9319806023890664
Energy: 1.5430352786904815
Energy: 1.0120062356777464
Energy: 1.535252111815369
Energy: 1.0120062356777464
Energy: 1.5444470278879683
Energy: 0.9320991307793856
Energy: 1.4860541686488102
Energy: 0.9320991307793856
Energy: 1.1542903956207105
Energy: 1.0868619168887133
Energy: 1.3477420031675835
Energy: 1.0868619168887133
Energy: 1.2256826599593753
Energy: 0.9321738435288653
Energy: 1.5356832529920053
Energy: 0.9321738435274752
Energy: 1.2271098620933274
Energy: 0.9322876345196945
Energy: 1.7287737663174692
Energy: 0.9322876345210848
Energy: 1.043750700415947
Energy: 0.9330316317316877
Energy: 1.704674005430087
Energy: 0.9330316317316877
Energy: 1.0086574477442551
Energy: 1.009402439613243
Energy: 1.7159924195480638
Energy: 1.009402439613243
Energy: 0.9315491071152441
Energy: 0.9322377936910473
Energy: 1.7277903511338308
Energy: 0.9322377936924376
Energy: 1.0121637136799204
Energy: 1.0132829878877148
Energy: 1.7146591884195472
Energy: 1.0132829878877148
Energy: 1.0122739700398777
Energy: 0.9328904413150135
Energy: 1.5234060101866476
Energy: 0.9328904413150135
Energy: 1.2345706869867958
Energy: 1.0093652851636246
Energy: 1.7164283104255653
Energy: 1.0093652851622341
Energy: 1.156298568823949
Energy: 0.9346195726979782
Energy: 1.727438987978851
Energy: 0.9346195726993686
Energy: 1.1610157456295633
Energy: 1.0871125143046194
Energy: 1.5477107514357926
Energy: 1.0871125143032292
Energy: 1.1633010228250455
Energy: 1.0879227396843947
Energy: 1.5288462589074967
Energy: 1.087922739685785
Energy: 1.5361024876051776
Energy: 1.0123406246000084
Energy: 1.545199998640671
Energy: 1.0123406246000084
Energy: 1.3474155232211562
Energy: 0.9335662996533608
Energy: 1.5445264359335675
Energy: 0.9335662996519706
Energy: 1.3463088750783174
Energy: 1.0871068510457074
Energy: 1.2270840556280556
Energy: 1.087106851042927
Energy: 1.5352561397921058
Energy: 0.9319360947538657
Energy: 1.2267182440569868
Energy: 0.931936094755256
Energy: 1.7281638220909896
Energy: 0.932360135890643
Energy: 1.228993812780215
Energy: 0.932360135890643
Energy: 1.7183521301965161
Energy: 0.9330500184705021
Energy: 1.1523543070898785
Energy: 0.9330500184705021

minimum gb energy = 0.9315491071152441 eV
minimum distance =  2.31663231242894 Angstroms
sigma value = 25


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

Energy: 2.1038753545553797
Energy: 0.9987726068262885
Energy: 0.998371199852146
Energy: 1.103298724735435
Energy: 1.638874773737002
Energy: 1.0812688594310382
Energy: 1.116675899789726
Energy: 1.0812688594326545
Energy: 1.6420821688671616
Energy: 0.9970139801834569
Energy: 1.0003487604032864
Energy: 0.9970139801834569
Energy: 1.6414244308617918
Energy: 1.0276064194857601
Energy: 1.0282504058935955
Energy: 1.0276064194841443
Energy: 1.5533108782323197
Energy: 0.9978476611507248
Energy: 1.4114559731095455
Energy: 0.9978476611507248
Energy: 1.6635872736791915
Energy: 1.0277422482157725
Energy: 1.37321586145198
Energy: 1.0277422482157725
Energy: 1.6420423729801656
Energy: 1.1528439555191878
Energy: 1.3571368269644852
Energy: 1.1528439555208039
Energy: 1.3469241148487106
Energy: 1.2459720171398678
Energy: 1.3573649223174475
Energy: 1.245972017141484
Energy: 1.3587316476960234
Energy: 1.153208772768224
Energy: 1.356838964142876
Energy: 1.153208772766608
Energy: 1.3781871331514421
Energy: 0.9988058820899657
Energy: 1.642340486254223
Energy: 0.9988058820883495
Energy: 1.311533800998957
Energy: 0.9976988811505535
Energy: 1.6519206911207125
Energy: 0.9976988811521695
Energy: 1.0286650364253567
Energy: 1.0280883661190863
Energy: 1.6527605885718897
Energy: 1.028088366115854
Energy: 0.9931439621135771
Energy: 0.9946608150033944
Energy: 1.6407415160276557
Energy: 0.9946608150033944
Energy: 1.0772605730450033
Energy: 0.9980215771737576
Energy: 1.6390004821638713
Energy: 0.9980215771737576
Energy: 1.0286713429695606
Energy: 0.9987802984809581
Energy: 1.551284409630659
Energy: 0.9987802984793419
Energy: 1.2445937094768627
Energy: 1.116561741047416
Energy: 1.6391289072902866
Energy: 1.116561741047416
Energy: 1.1377740541214578
Energy: 0.9978728632649678
Energy: 1.6416443807999181
Energy: 0.9978728632633517
Energy: 1.137728165313782
Energy: 0.9942058432699894
Energy: 1.5465710423268266
Energy: 0.9942058432667572
Energy: 1.2088651566907342
Energy: 0.9988962210823548
Energy: 1.5164033239290096
Energy: 0.9988962210742744
Energy: 1.5642797284825127
Energy: 1.0870589376829138
Energy: 1.5473247212087382
Energy: 1.0870589376829138
Energy: 1.451872747758541
Energy: 0.9933662697142049
Energy: 1.5475858965444549
Energy: 0.9933662697158211
Energy: 1.4512634801771862
Energy: 0.998112731132005
Energy: 1.1801569632409965
Energy: 0.9981127311303889
Energy: 1.5469128399093612
Energy: 0.9993315537488987
Energy: 1.168203725584083
Energy: 0.9993315537472827
Energy: 1.6417520533813612
Energy: 0.993854167465884
Energy: 1.2424438723101743
Energy: 0.9938541674691161
Energy: 1.6493864940185878
Energy: 0.9983638170924921
Energy: 1.1581773365226917
Energy: 0.9983638170924921

minimum gb energy = 0.9931439621135771 eV
minimum distance =  2.30240876784931 Angstroms
sigma value = 9


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

Energy: 1.8774589654257767
Energy: 1.1371998545098674
Energy: 1.1351990337529687
Energy: 1.3349455345873589
Energy: 1.532710721308649
Energy: 1.039579015367738
Energy: 1.1383394917531793
Energy: 1.039579015368877
Energy: 1.5701997164199257
Energy: 1.0396393856876287
Energy: 1.0393313853210262
Energy: 1.0396393856864896
Energy: 1.570318004678338
Energy: 1.1376332247980512
Energy: 1.1372221405142642
Energy: 1.1376332247982264
Energy: 1.4450073952883062
Energy: 1.0439288251321897
Energy: 1.1782194602032092
Energy: 1.0439288251323868
Energy: 1.5705144271444424
Energy: 1.1896877958932113
Energy: 1.4215152291863395
Energy: 1.1896877958932113
Energy: 1.5703326111636589
Energy: 1.1985178677154076
Energy: 1.0172653050118483
Energy: 1.1985178677154076
Energy: 1.38430208534688
Energy: 1.1942596493707007
Energy: 1.3486888511579074
Energy: 1.1942596493683786
Energy: 1.3158045501099107
Energy: 1.1975771555609684
Energy: 1.3478771668648164
Energy: 1.1975771555605959
Energy: 1.3829723233005216
Energy: 1.1937069569289651
Energy: 1.5321292469391172
Energy: 1.1937069569274317
Energy: 1.317001135888305
Energy: 1.137166918650631
Energy: 1.5074881904396533
Energy: 1.1371669186533258
Energy: 1.137937825967441
Energy: 1.1379437840748734
Energy: 1.5067514063548901
Energy: 1.1379437840727484
Energy: 1.0420905173971249
Energy: 1.039719917043965
Energy: 1.5719802284740862
Energy: 1.039719917043395
Energy: 1.1371878072889485
Energy: 1.0400314048545174
Energy: 1.5719272793465473
Energy: 1.040031404847967
Energy: 1.138654689428113
Energy: 1.0402889602393095
Energy: 1.444768055494709
Energy: 1.0402889602369871
Energy: 1.4208952060895073
Energy: 1.2794219900010384
Energy: 1.5693735074159618
Energy: 1.2794219900010384
Energy: 1.0168677418801997
Energy: 1.0407844045215624
Energy: 1.570477087959614
Energy: 1.0407844045213652
Energy: 1.0169300974850137
Energy: 1.1975607314245367
Energy: 1.3853833218405007
Energy: 1.1975607314245367
Energy: 1.3485006815770286
Energy: 1.1986446947629825
Energy: 1.4597322892763158
Energy: 1.1986446947639466
Energy: 1.5315532221957027
Energy: 1.191115039245671
Energy: 1.3844468593137225
Energy: 1.1911150392449046
Energy: 1.5074053936693568
Energy: 1.1383040243798477
Energy: 1.3859471570778554
Energy: 1.1383040243798477

minimum gb energy = 1.0168677418801997 eV
minimum distance =  2.3097770702805 Angstroms
sigma value = 25


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

Energy: 1.6447256424488923
Energy: 1.214853819453164
Energy: 1.2225975347311184
Energy: 1.2010865518434868
Energy: 1.4604241302844916
Energy: 1.1453540269652465
Energy: 1.2211582649526493
Energy: 1.1453540269647589
Energy: 1.466149012566933
Energy: 1.1318121956739446
Energy: 1.1299034568389241
Energy: 1.131812195673484
Energy: 1.4546560777930042
Energy: 1.1329007546476804
Energy: 1.1328509783646672
Energy: 1.132900754646949
Energy: 1.3767884638994425
Energy: 1.1315024478608728
Energy: 1.5708060648577893
Energy: 1.1315024478591929
Energy: 1.4696181758832634
Energy: 1.2528603168066963
Energy: 1.4443424800101623
Energy: 1.2528603168064796
Energy: 1.4703058457943539
Energy: 1.132304857723059
Energy: 1.5193400148028613
Energy: 1.1323048577142265
Energy: 1.1324020559881653
Energy: 1.1331774117794848
Energy: 1.5126988602694027
Energy: 1.133177411779024
Energy: 1.1325949956634733
Energy: 1.1317585092044604
Energy: 1.459749676449518
Energy: 1.1317585092056524
Energy: 1.2014128990132988
Energy: 1.131304441720743
Energy: 1.4592333895863043
Energy: 1.131304441719551
Energy: 1.1309934184206372
Energy: 1.134449268782647
Energy: 1.4534207693437262
Energy: 1.134449268782403
Energy: 1.4593416960530108
Energy: 1.2226764903445182
Energy: 1.452496566081571
Energy: 1.2226764903447622
Energy: 1.322219845465109
Energy: 1.1312564084142558
Energy: 1.4613631229116602
Energy: 1.1312564084149872
Energy: 1.329833050026714
Energy: 1.259118612244742
Energy: 1.382974577345569
Energy: 1.259118612244742
Energy: 1.4073273942359452
Energy: 1.2587067779033971
Energy: 1.380910505558077
Energy: 1.2587067779081658
Energy: 1.4588319428847671
Energy: 1.258894414303466
Energy: 1.3850674919076924
Energy: 1.2588944143025176
Energy: 1.3737385116927767
Energy: 1.2219428828891887
Energy: 1.3941609459955178
Energy: 1.2219428828879966

minimum gb energy = 1.1299034568389241 eV
minimum distance =  2.30314034708365 Angstroms
sigma value = 17


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

Energy: 1.6380294821721921
Energy: 1.2024318007349832
Energy: 1.3040982313197003
Energy: 1.2966811052537364
Energy: 1.409845017002648
Energy: 1.1497940497778099
Energy: 1.3076902546714975
Energy: 1.1497940497899626
Energy: 1.4019648205281836
Energy: 1.1507288629503725
Energy: 1.1892936975463448
Energy: 1.1507288629449712
Energy: 1.4329763241876636
Energy: 1.1398286040284997
Energy: 1.1396266132482278
Energy: 1.1398286040284997
Energy: 1.4266991747124076
Energy: 1.2935206853946306
Energy: 1.4531204608077002
Energy: 1.2935206853946306
Energy: 1.4033892758374436
Energy: 1.1547225351262642
Energy: 1.3689285996249358
Energy: 1.1547225351276145
Energy: 1.3849579964923213
Energy: 1.2315306910082362
Energy: 1.465453000594832
Energy: 1.2315306910095865
Energy: 1.239341164058877
Energy: 1.2398107082378371
Energy: 1.4043929999488385
Energy: 1.2398107082364869
Energy: 1.1724427289700996
Energy: 1.1549968364777847
Energy: 1.3841497539976184
Energy: 1.1549968364791352
Energy: 1.1624029512987473
Energy: 1.1549951034315535
Energy: 1.3849539848013472
Energy: 1.1549951034342543
Energy: 1.1586272663395112
Energy: 1.2597002384623195
Energy: 1.4339097744863964
Energy: 1.2597002384596188
Energy: 1.3770696280708314
Energy: 1.2419733620341376
Energy: 1.3848449582145659
Energy: 1.2419733620368378
Energy: 1.4671776852223062
Energy: 1.164662916840534
Energy: 1.3863628029889905
Energy: 1.1646629168378335
Energy: 1.4682561240825627
Energy: 1.152217692477388
Energy: 1.163970490603258
Energy: 1.1522176925934828
Energy: 1.3624898803601335
Energy: 1.1481208766594633
Energy: 1.1647982320497419
Energy: 1.1481208766608135
Energy: 1.3624396499440288
Energy: 1.1549485567356383
Energy: 1.1955426676477452
Energy: 1.154948556731618
Energy: 1.3940336104069624
Energy: 1.2386576728732763
Energy: 1.2398692243277125
Energy: 1.238657672871926
Energy: 1.395146105369124
Energy: 1.2386180449477748
Energy: 1.4397860511662863
Energy: 1.2386180449504753
Energy: 1.362216986471689
Energy: 1.1546144450719884
Energy: 1.3946561439503031
Energy: 1.1546144450746894
Energy: 1.2364919126029128
Energy: 1.293650102708464
Energy: 1.4483529283765846
Energy: 1.2936501027057632
Energy: 1.138177307594622
Energy: 1.1511596128207031
Energy: 1.394861013585154
Energy: 1.1511596128207031
Energy: 1.1713620362212664
Energy: 1.1501176102217956
Energy: 1.3940954424255034
Energy: 1.1501176102217956
Energy: 1.2956604832101553
Energy: 1.200322768219305
Energy: 1.394129478585015
Energy: 1.2003227682179547
Energy: 1.2071590207405214
Energy: 1.1528315404300298
Energy: 1.4419128111738753
Energy: 1.1528315404313803
Energy: 1.4197832420199499
Energy: 1.1498679987897127
Energy: 1.3942199112094622
Energy: 1.1498679987910632
Energy: 1.2650679771445452
Energy: 1.2547400108742848
Energy: 1.3941874383186355
Energy: 1.2547400108715843
Energy: 1.313222802901146
Energy: 1.2583778578128575
Energy: 1.2755540454179437
Energy: 1.2583778578115072
Energy: 1.4016410593641364
Energy: 1.2547896713285558
Energy: 1.2687826665060624
Energy: 1.2547896713299063
Energy: 1.4104002198668262
Energy: 1.1502943427930454
Energy: 1.3170752680987765
Energy: 1.1502943427903447
Energy: 1.4019126791168952
Energy: 1.1518470544912314
Energy: 1.3309169939666636
Energy: 1.151847054507435

minimum gb energy = 1.138177307594622 eV
minimum distance =  2.2840157233135 Angstroms
sigma value = 53


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

Energy: 1.0215377264042818
Energy: 1.5685021957918999
Energy: 1.0555966014691438
Energy: 1.0421150106620534
Energy: 1.0571958457819397
Energy: 1.0573555838024957
Energy: 1.0614085072733666
Energy: 1.0573555838024957
Energy: 1.3647750558564522
Energy: 1.0745250460398466
Energy: 1.0521417829626072
Energy: 1.0745250460395288
Energy: 1.2276583148302824
Energy: 1.0780492051150234
Energy: 1.0571770979841673
Energy: 1.078049205114105
Energy: 1.2807317160337466
Energy: 1.0586806282033177
Energy: 1.0604423009163872
Energy: 1.0586806282039536
Energy: 1.2235796132323227
Energy: 1.0773853180359234
Energy: 1.2824118966869484
Energy: 1.0773853180300241
Energy: 1.2815176716322434
Energy: 1.077229313413026
Energy: 1.023624894666107
Energy: 1.077229313412072
Energy: 1.0577981650041899
Energy: 1.0599167301766368
Energy: 1.023800887178514
Energy: 1.059916730175683
Energy: 1.0565155483465343
Energy: 1.0765749086187002
Energy: 1.2831813091868733
Energy: 1.076574908620537
Energy: 1.0628013638874485
Energy: 1.0777435952635204
Energy: 1.222733485113564
Energy: 1.0777435952573031
Energy: 1.058063506749684
Energy: 1.0587711942322946
Energy: 1.2288160023133645
Energy: 1.0587711942257594
Energy: 1.3655954162467883
Energy: 1.1627199554644285
Energy: 1.2275552178901108
Energy: 1.1627199554638281
Energy: 1.0237864394635674
Energy: 1.0749765541225893
Energy: 1.3646361245352725
Energy: 1.0749765541219534

minimum gb energy = 1.0215377264042818 eV
minimum distance =  2.29381315045189 Angstroms
sigma value = 9


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

Energy: 1.736838949938714
Energy: 1.3306774626920594
Energy: 1.3294513473453244
Energy: 1.320243202746503
Energy: 1.4412482235322082
Energy: 1.2851408749989646
Energy: 1.4043124145307326
Energy: 1.285140875000115
Energy: 1.2611676220165449
Energy: 1.2424596574034852
Energy: 1.2843072415868142
Energy: 1.242459657409238
Energy: 1.2606865243877443
Energy: 1.2463352176065592
Energy: 1.259164814993154
Energy: 1.2463352176077096
Energy: 1.2351046993505357
Energy: 1.2444284652241722
Energy: 1.2623703652898295
Energy: 1.2444284652276238
Energy: 1.3171993168612595
Energy: 1.2917197048999856
Energy: 1.4629153068528788
Energy: 1.2917197048976845
Energy: 1.4090054791228428
Energy: 1.3733701005904952
Energy: 1.6091723351547633
Energy: 1.3733701005537298
Energy: 1.4999170292601143
Energy: 1.298853820973226
Energy: 1.6098150304717982
Energy: 1.2988538213562022
Energy: 1.4123277777970265
Energy: 1.2573062583251393
Energy: 1.3347227190555415
Energy: 1.257306258328591
Energy: 1.282181525647309
Energy: 1.2906494126676726
Energy: 1.1854365522726102
Energy: 1.2906494126734256
Energy: 1.4394479946126584
Energy: 1.253527537333328
Energy: 1.1838080899502428
Energy: 1.253527537333328
Energy: 1.3702449892717925
Energy: 1.3011646021181562
Energy: 1.2391304315405607
Energy: 1.3011646021181562
Energy: 1.6105847393628014
Energy: 1.3271202933608353
Energy: 1.3114334102857372
Energy: 1.327120293298758
Energy: 1.6101056411984405
Energy: 1.3706818537151613
Energy: 1.4896925466525097
Energy: 1.3706818537094088
Energy: 1.4611221020634078
Energy: 1.2975271393923986
Energy: 1.527829092949046
Energy: 1.2975271393912482
Energy: 1.4370529830808605
Energy: 1.328918863060721
Energy: 1.497123420769091
Energy: 1.3289188630561186
Energy: 1.1982674991526845
Energy: 1.2019783141055802
Energy: 1.5241109827697477
Energy: 1.2019783141044296
Energy: 1.2163699889757222
Energy: 1.2638075654418688
Energy: 1.60349539695353
Energy: 1.2638075654453205
Energy: 1.2506994766672146
Energy: 1.3074743460982916
Energy: 1.5645783368504607
Energy: 1.3074743461005927
Energy: 1.2536881660655252
Energy: 1.3255402278198614
Energy: 1.5698354828374428
Energy: 1.3255402278210118
Energy: 1.4809176782807196
Energy: 1.2588776318588506
Energy: 1.5292545060599605
Energy: 1.2588776318588506
Energy: 1.6391995867522517
Energy: 1.250103936235719
Energy: 1.5224173911864374
Energy: 1.2501039362403212
Energy: 1.6415283002271615
Energy: 1.3220274081028938
Energy: 1.250030583688885
Energy: 1.3220274081005927
Energy: 1.5758304360691562
Energy: 1.2638309655555213
Energy: 1.2371558095157456
Energy: 1.2638309655589728
Energy: 1.556330215073469
Energy: 1.2856895726550979
Energy: 1.1968680573110855
Energy: 1.2856895726539472
Energy: 1.3911780410937238
Energy: 1.3273849869408012
Energy: 1.1986465042204482
Energy: 1.3273849869373495
Energy: 1.5718011873375908
Energy: 1.2904436164734558
Energy: 1.4603574047948897
Energy: 1.2904436164711548
Energy: 1.536005500262277
Energy: 1.3259604382266914
Energy: 1.624918777517823
Energy: 1.3259604382255405
Energy: 1.2812480480497255
Energy: 1.3052995180316265
Energy: 1.6392648480624046
Energy: 1.305299518028175
Energy: 1.3245114953628452
Energy: 1.320886693325959
Energy: 1.6291673750603135
Energy: 1.3208866933213568
Energy: 1.2317019610612365
Energy: 1.2494661780917171
Energy: 1.416578929860743
Energy: 1.2494661780917171
Energy: 1.1858816501820377
Energy: 1.2115582928888
Energy: 1.410344588154322
Energy: 1.2115582928853483
Energy: 1.285819756361186
Energy: 1.2916420339814865
Energy: 1.4129638472447006
Energy: 1.2916420339745833
Energy: 1.47370047876924
Energy: 1.285764544495745
Energy: 1.522001880107358
Energy: 1.2857645444922934
Energy: 1.6347634969210738
Energy: 1.4097874555223036
Energy: 1.444279747897635
Energy: 1.409787455521153

minimum gb energy = 1.1838080899502428 eV
minimum distance =  2.23348920971762 Angstroms
sigma value = 73


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

Energy: 1.7243090218998494
Energy: 1.3750665671233897
Energy: 1.375986929601662
Energy: 1.3136359409728402
Energy: 1.4965873274728896
Energy: 1.3472956299942043
Energy: 1.4046091497760402
Energy: 1.347295629994391
Energy: 1.3120990855524053
Energy: 1.27306076642784
Energy: 1.3439266585425103
Energy: 1.2730607664274667
Energy: 1.3141706766367005
Energy: 1.2729239715943745
Energy: 1.3130634108080013
Energy: 1.2729239715938143
Energy: 1.3154804459504095
Energy: 1.2755630986583477
Energy: 1.3471463465895774
Energy: 1.2755630986563355
Energy: 1.403396647811361
Energy: 1.3510852920838412
Energy: 1.4967855652591178
Energy: 1.351085292083115
Energy: 1.406520651746768
Energy: 1.4051670898915674
Energy: 1.5974665903649492
Energy: 1.4051670898915674
Energy: 1.5790367798481606
Energy: 1.326046780536089
Energy: 1.6609748587324695
Energy: 1.3260467812535492
Energy: 1.5272396609756658
Energy: 1.2856649790802257
Energy: 1.4134950129734452
Energy: 1.2856649790802257
Energy: 1.344299554597621
Energy: 1.3433651648835225
Energy: 1.2466006574237356
Energy: 1.3433651648824438
Energy: 1.5276725059991356
Energy: 1.2945020100875206
Energy: 1.2001240099762724
Energy: 1.2945020100875206
Energy: 1.550448632021334
Energy: 1.3633631498180028
Energy: 1.2705940362279022
Energy: 1.3633631498203884
Energy: 1.493941541788469
Energy: 1.2549833758062992
Energy: 1.2553608058311025
Energy: 1.2549833758039342
Energy: 1.493601944550281
Energy: 1.3503034335686246
Energy: 1.5555299393267255
Energy: 1.3503034335680646
Energy: 1.5911058318751914
Energy: 1.3319043742148344
Energy: 1.5876500970676386
Energy: 1.3319043742157473
Energy: 1.5500609204083031
Energy: 1.3520703725470957
Energy: 1.6504134870166776
Energy: 1.3520703725472618
Energy: 1.255114427735472
Energy: 1.3064633207050391
Energy: 1.6470197651784808
Energy: 1.3064633207044998
Energy: 1.2716472720326062
Energy: 1.3252132629947475
Energy: 1.6165886789048736
Energy: 1.3252132629949342
Energy: 1.2004943564549793
Energy: 1.203145208509072
Energy: 1.527895460541042
Energy: 1.2031452085088854
Energy: 1.2462802765638787
Energy: 1.3440704122894267
Energy: 1.5100494893666403
Energy: 1.3440704122965417
Energy: 1.3862623519371768
Energy: 1.295029112308121
Energy: 1.5245630029496258
Energy: 1.2950291123093864
Energy: 1.6374068627292742
Energy: 1.3342698340457164
Energy: 1.5701067250156993
Energy: 1.3342698340471686

minimum gb energy = 1.2001240099762724 eV
minimum distance =  2.26625451822636 Angstroms
sigma value = 7


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

Energy: 2.346415440294333
Energy: 1.406356456598993
Energy: 1.399586322497853
Energy: 1.2836637048450683
Energy: 1.5916370344723145
Energy: 1.2956136089816717
Energy: 1.3950245783157282
Energy: 1.2956136089713455
Energy: 1.4470586283279026
Energy: 1.2758850016939844
Energy: 1.4044547815164368
Energy: 1.2758850016978567
Energy: 1.353233893403365
Energy: 1.2786159083425648
Energy: 1.3084437276651968
Energy: 1.2786159083464368
Energy: 1.3585789490014426
Energy: 1.2785185208008258
Energy: 1.3579053761084445
Energy: 1.278518520799535
Energy: 1.3633888862979673
Energy: 1.3210890297017308
Energy: 1.5799375939082205
Energy: 1.32108902970044
Energy: 1.366817783443887
Energy: 1.394085296969092
Energy: 1.6070929315129843
Energy: 1.3940852969678013
Energy: 1.5997399193226458
Energy: 1.297663953193366
Energy: 1.6035497750202565
Energy: 1.29766395319982
Energy: 1.56368882957322
Energy: 1.3058270408637154
Energy: 1.456687309610103
Energy: 1.3058270408688786
Energy: 1.4068876463888906
Energy: 1.3027301928840684
Energy: 1.2284184058963357
Energy: 1.3027301928814867
Energy: 1.6190629582403626
Energy: 1.3194277050211887
Energy: 1.2200966212161903
Energy: 1.3194277050224794
Energy: 1.4949268782980485
Energy: 1.3081789160355835
Energy: 1.320841052388926
Energy: 1.3081789160355835
Energy: 1.6166765340584914
Energy: 1.2241781733803243
Energy: 1.2826372726685782
Energy: 1.2241781733932322
Energy: 1.6129626360844451
Energy: 1.3037109554838335
Energy: 1.4489337979002102
Energy: 1.3037109554851243
Energy: 1.6291759348142805
Energy: 1.3228245935094514
Energy: 1.455918625117567
Energy: 1.3228245935094514
Energy: 1.6256823550492565
Energy: 1.2970903268702152
Energy: 1.804966117942645
Energy: 1.2970903280197736
Energy: 1.4450220627287207
Energy: 1.2943956731379442
Energy: 1.8112139751653067
Energy: 1.2943956731353625
Energy: 1.4032375190725748
Energy: 1.2917185933500377
Energy: 1.4436086929075131
Energy: 1.2917185933500377
Energy: 1.3083525780911411
Energy: 1.2766686509510676
Energy: 1.356322688216946
Energy: 1.2766686509523582
Energy: 1.3583317795411345
Energy: 1.276599621672051
Energy: 1.3064118086762204
Energy: 1.27659962167076
Energy: 1.4568016514786666
Energy: 1.3208596481139885
Energy: 1.3202372998728018
Energy: 1.3208596481139885
Energy: 1.6073562426802943
Energy: 1.3701020414543144
Energy: 1.368192667884072
Energy: 1.3701020414530234
Energy: 1.6005943636357383
Energy: 1.4460574403401627
Energy: 1.5501477261208394
Energy: 1.4460574403401627
Energy: 1.4570711562807943
Energy: 1.3194406351022192
Energy: 1.6024201225933545
Energy: 1.3194406351048007
Energy: 1.4013401011700992
Energy: 1.3025746927802866
Energy: 1.3902688954053117
Energy: 1.3025746927802866
Energy: 1.2227630367590625
Energy: 1.223807050621791
Energy: 1.3845419381415054
Energy: 1.2238070506166283
Energy: 1.3227319666052493
Energy: 1.3796788350374938
Energy: 1.5561500940212214
Energy: 1.3796788350374938
Energy: 1.2217527769159218
Energy: 1.224437302554472
Energy: 1.654404901539856
Energy: 1.224437302554472
Energy: 1.2851342828714387
Energy: 1.3019192667616786
Energy: 1.6270451739294793
Energy: 1.3019192667616786
Energy: 1.5140971529915868
Energy: 1.3211227230957088
Energy: 1.5937874858757954
Energy: 1.3211227230982905
Energy: 1.808333758191347
Energy: 1.2947887559011322
Energy: 1.6252271970740402
Energy: 1.294788755834041

minimum gb energy = 1.2200966212161903 eV
minimum distance =  2.26080504311856 Angstroms
sigma value = 29


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

Energy: 1.6321400028832054
Energy: 1.4906310272546857
Energy: 1.5759782096051422
Energy: 1.2735481676683156
Energy: 1.3085841081099527
Energy: 1.2369413898682249
Energy: 1.4087757567668828
Energy: 1.236941389866926
Energy: 1.39586399627949
Energy: 1.2381325141780266
Energy: 1.299363533359019
Energy: 1.2381325141771522
Energy: 1.3052733286044644
Energy: 1.23882473265705
Energy: 1.1269464970040834
Energy: 1.23882473265705
Energy: 1.3043224008590086
Energy: 1.2449821363915239
Energy: 1.2982434799417497
Energy: 1.2449821363923983
Energy: 1.3039634297778604
Energy: 1.2458667492690387
Energy: 1.3640547599040447
Energy: 1.2458667492699382
Energy: 1.4105113778694431
Energy: 1.4068304279066923
Energy: 1.2820965227535295
Energy: 1.4068304279058184
Energy: 1.4703577779199555
Energy: 1.2363709456682601
Energy: 1.3620799265168537
Energy: 1.2363709456642886
Energy: 1.432295561768657
Energy: 1.2731438675555025
Energy: 1.4532558089727445
Energy: 1.2731438675550528

minimum gb energy = 1.1269464970040834 eV
minimum distance =  2.25403916441884 Angstroms
sigma value = 5


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

Energy: 1.7134982577668885
Energy: 1.7516149247967765
Energy: 1.593323323521592
Energy: 1.5832054686038632
Energy: 1.2318382138716666
Energy: 1.2665071944493502
Energy: 1.5256384979277031
Energy: 1.2665071938753378
Energy: 1.202603280962049
Energy: 1.2123124033125583
Energy: 1.5121005089086685
Energy: 1.2123124033162163
Energy: 1.2025448940613261
Energy: 1.2666067912733794
Energy: 1.4544308160288808
Energy: 1.2666067912733794
Energy: 1.217038793673751
Energy: 1.222009043776602
Energy: 1.4665718579074065
Energy: 1.2220090437778215
Energy: 1.2261622229480535
Energy: 1.2511993917971376
Energy: 1.4232876715678684
Energy: 1.251199391799576
Energy: 1.2183793936492997
Energy: 1.2993673799415584
Energy: 1.380957284054059
Energy: 1.299367379940339
Energy: 1.2222494302389892
Energy: 1.2468347678555243
Energy: 1.374545680084102
Energy: 1.2468347678518663
Energy: 1.5497640407328825
Energy: 1.246028688176467
Energy: 1.4158478535338908
Energy: 1.2460286881740286
Energy: 1.5051357393095406
Energy: 1.4458941602095234
Energy: 1.506292966664004
Energy: 1.445894160205866
Energy: 1.4785831414638555
Energy: 1.2548412429933895
Energy: 1.5765412967089487
Energy: 1.2548412418794495
Energy: 1.43891625593058
Energy: 1.246951269024606
Energy: 1.5748597927175652
Energy: 1.2469512690209483
Energy: 1.3841637543733472
Energy: 1.3522733432880427
Energy: 1.5790536077092963
Energy: 1.3522733432917007
Energy: 1.413539257211067
Energy: 1.3392328803301103
Energy: 1.2210630986514146
Energy: 1.3392328802703648
Energy: 1.3822418406153423
Energy: 1.3025069350664467
Energy: 1.2199765408562737
Energy: 1.3025069350688854
Energy: 1.385758399088722
Energy: 1.2471004043441583
Energy: 1.2215614641718533
Energy: 1.2471004043453777
Energy: 1.425622820112826
Energy: 1.251066565437695
Energy: 1.2684557623626942
Energy: 1.251066565434037
Energy: 1.512396573144796
Energy: 1.2122814299798277
Energy: 1.2154001638220977
Energy: 1.2122814299749507
Energy: 1.5155547033068009
Energy: 1.348304687849152
Energy: 1.2021351162722942
Energy: 1.348304687849152
Energy: 1.5314160460696782
Energy: 1.2164001394948643
Energy: 1.2044511910560387
Energy: 1.2164001395741186
Energy: 1.5388900830921537
Energy: 1.274323908504492
Energy: 1.638012604242579
Energy: 1.2743239085032725
Energy: 1.6844486024499095
Energy: 1.4387352299793195
Energy: 1.6407761868280126
Energy: 1.4387352300317495
Energy: 1.6073939236268948
Energy: 1.2339877443021225
Energy: 1.2037169617441317
Energy: 1.2339877443484555
Energy: 1.5797115842788672
Energy: 1.250865677988703
Energy: 1.3016977981540077
Energy: 1.250865677989922
Energy: 1.5760133851958293
Energy: 1.2148752670141638
Energy: 1.2480311505387698
Energy: 1.2148752670105059
Energy: 1.3543309302057063
Energy: 1.276808999687291
Energy: 1.3243933395549594
Energy: 1.276808999687291
Energy: 1.269468002557823
Energy: 1.2704271034022139
Energy: 1.275025963778548
Energy: 1.2704271034022139
Energy: 1.2749807262862707
Energy: 1.268194015758824
Energy: 1.2710950972512036
Energy: 1.268194015755166
Energy: 1.3046164525286525
Energy: 1.2977176557221364
Energy: 1.3470658042336134
Energy: 1.2977176557221364
Energy: 1.2662626388812444
Energy: 1.2489492682474732
Energy: 1.5061323659351635
Energy: 1.2489492682486927
Energy: 1.3087089925795927
Energy: 1.2526973682356939
Energy: 1.5089201816631967
Energy: 1.2526973682332554
Energy: 1.2330031269295332
Energy: 1.2336321866518083
Energy: 1.6012863627367164
Energy: 1.2336321866238198
Energy: 1.706505446118791
Energy: 1.5378028141410987
Energy: 1.596899291920617
Energy: 1.5378028141447566

minimum gb energy = 1.2021351162722942 eV
minimum distance =  2.22690276577391 Angstroms
sigma value = 1


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

Energy: 1.936586183786746
Energy: 1.5143519262405707
Energy: 1.4306233761546077
Energy: 1.3257495889691115
Energy: 1.1869593162757808
Energy: 1.1936627963426
Energy: 1.1896326269475674
Energy: 1.1936627963426
Energy: 1.1878663412729202
Energy: 1.1925736610001112
Energy: 1.3937267796770276
Energy: 1.192573661001797
Energy: 1.1899993933147701
Energy: 1.199401508009718
Energy: 1.1955949127696912
Energy: 1.199401508009718
Energy: 1.1919520840119902
Energy: 1.2142500479250438
Energy: 1.3480547185046436
Energy: 1.2142500479250438
Energy: 1.1910842225177574
Energy: 1.2153734314346873
Energy: 1.3500688614008869
Energy: 1.2153734314346873
Energy: 1.1822965131851002
Energy: 1.2756807794913056
Energy: 1.3954040053609778
Energy: 1.2756807794913056
Energy: 1.1880403920059572
Energy: 1.19170888402928
Energy: 1.3918599048851334
Energy: 1.19170888402928
Energy: 1.188825270610366
Energy: 1.3169056388705322
Energy: 1.371618171350291
Energy: 1.3169056388755516
Energy: 1.3829419823991378
Energy: 1.3742699313759055
Energy: 1.1876238131093746
Energy: 1.3742699308164608
Energy: 1.187066552214213
Energy: 1.2548920912809403
Energy: 1.4031983502992524
Energy: 1.2548920911848833
Energy: 1.1874910660366473
Energy: 1.1920712136658318
Energy: 1.568229901223621
Energy: 1.1920712136658318
Energy: 1.1759721301831614
Energy: 1.2000037375263661
Energy: 1.5680946171966095
Energy: 1.2000037375246801
Energy: 1.1906197289016562
Energy: 1.2646428683405115
Energy: 1.1871416116606557
Energy: 1.2646428683405115
Energy: 1.1954958247850462
Energy: 1.2051999581821196
Energy: 1.1874384947539751
Energy: 1.2051999581804338
Energy: 1.1948172693004182
Energy: 1.1914094411953258
Energy: 1.1779752823683967
Energy: 1.1914094411953258
Energy: 1.2458211052227355
Energy: 1.20862957577498
Energy: 1.1942232554555157
Energy: 1.2086295757766659
Energy: 1.3923049000367125
Energy: 1.1904083515950574
Energy: 1.176943688247694
Energy: 1.1904083515950574
Energy: 1.3960074593988463
Energy: 1.2772807413778657
Energy: 1.185703500119215
Energy: 1.2772807413795517
Energy: 1.3836628528772394
Energy: 1.1917741026631758
Energy: 1.1881450357783696
Energy: 1.19177410266149
Energy: 1.3623444563752145
Energy: 1.1928827406240483
Energy: 1.3793163187488606
Energy: 1.1928827406257345
Energy: 1.398262177998245
Energy: 1.1921240723818345
Energy: 1.3805992115798975
Energy: 1.1921240723801487
Energy: 1.4058553755247492
Energy: 1.2643375471065679
Energy: 1.1888320881743706
Energy: 1.2643375471065679
Energy: 1.5697118161246761
Energy: 1.2073400963157788
Energy: 1.1864695783697203
Energy: 1.2073400963157788

minimum gb energy = 1.1759721301831614 eV
minimum distance =  2.25447338411971 Angstroms
sigma value = 17


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

Energy: 1.807269663452667
Energy: 1.6904246552462916
Energy: 1.7333198857501584
Energy: 1.5607710711385863
Energy: 1.1776400578465187
Energy: 1.2139027380679137
Energy: 1.4730084502108016
Energy: 1.2139027380699978
Energy: 1.183213177355077
Energy: 1.1786515456881586
Energy: 1.4842075199635973
Energy: 1.1786515456839903
Energy: 1.1740090308015718
Energy: 1.17821785315998
Energy: 1.4877547817935883
Energy: 1.1782178531568541
Energy: 1.176665401447776
Energy: 1.2479630075786776
Energy: 1.304352738184533
Energy: 1.2479630075807617
Energy: 1.2349379517258217
Energy: 1.2205195253542036
Energy: 1.2662493991629167
Energy: 1.2205195253542036
Energy: 1.2464424133999612
Energy: 1.2215774596165738
Energy: 1.236444019218505
Energy: 1.2215774596197
Energy: 1.2673599744652682
Energy: 1.2238750905379658
Energy: 1.232661275577732
Energy: 1.2238750905369238
Energy: 1.4733255667623744
Energy: 1.178455456635683
Energy: 1.17928910507213
Energy: 1.1784554566419354
Energy: 1.4271343689627445
Energy: 1.1792900060728682
Energy: 1.180295426035899
Energy: 1.179290006069742
Energy: 1.541760724837715
Energy: 1.1792559113054883
Energy: 1.1786075103636793
Energy: 1.1792559113086147
Energy: 1.4866768532593535
Energy: 1.2149968771638315
Energy: 1.532589171763569
Energy: 1.2149968771659156
Energy: 1.678803059791807
Energy: 1.2130803432368609
Energy: 1.5277464345925647
Energy: 1.2130803432368609
Energy: 1.3828993770944573
Energy: 1.299612708102603
Energy: 1.1780763486255168
Energy: 1.299612708106771
Energy: 1.477969582613485
Energy: 1.1782410151424676
Energy: 1.31096319571811
Energy: 1.1782410151393417
Energy: 1.6126903610611827
Energy: 1.1768015003838634
Energy: 1.2644872777275742
Energy: 1.1768015003880314
Energy: 1.2090329243980082
Energy: 1.2140503801844762
Energy: 1.3529471753351594
Energy: 1.2140503801823923
Energy: 1.213155203756053
Energy: 1.2428121943175425
Energy: 1.3224665446293142
Energy: 1.2428121943217108
Energy: 1.2061839619209096
Energy: 1.2128879532972994
Energy: 1.3120369791323974
Energy: 1.2128879532931789
Energy: 1.2484667267120715
Energy: 1.2933754038949092
Energy: 1.445438871449198
Energy: 1.2933754038917833
Energy: 1.1859375782470392
Energy: 1.1961890849670533
Energy: 1.425552195004735
Energy: 1.1961890849691375
Energy: 1.1905761267283934
Energy: 1.1967729508484086
Energy: 1.4247121039680968
Energy: 1.1967729508567444
Energy: 1.1957121792595773
Energy: 1.31241348803668
Energy: 1.3288629647003878
Energy: 1.312413488034596
Energy: 1.5374795755475499
Energy: 1.3849926164869688
Energy: 1.3993297437637293
Energy: 1.3849926164869688
Energy: 1.5311373637547923
Energy: 1.197228333706095
Energy: 1.4680838058344843
Energy: 1.197228333702969
Energy: 1.464896805861927
Energy: 1.2036155675053593
Energy: 1.198166836573741
Energy: 1.2036155675053593
Energy: 1.4985092101491355
Energy: 1.4791634817228587
Energy: 1.6036990786512275
Energy: 1.4791634817249426
Energy: 1.3908538492152311
Energy: 1.1982252417137096
Energy: 1.2017001044104716
Energy: 1.1982252417219983
Energy: 1.4240197404257542
Energy: 1.1971022909055034
Energy: 1.1938343666263118
Energy: 1.1971022909023772
Energy: 1.3788025920874776
Energy: 1.1991870025309053
Energy: 1.1897125420348609
Energy: 1.1991870025392415
Energy: 1.421223908442883
Energy: 1.1983200227894437
Energy: 1.189620673299823
Energy: 1.1983200227925694
Energy: 1.3567169275669053
Energy: 1.2181301817288366
Energy: 1.1998420328473296
Energy: 1.2181301817298786
Energy: 1.3129210261328668
Energy: 1.2173467673899017
Energy: 1.2086884496986423
Energy: 1.2173467673857337
Energy: 1.31006995090131
Energy: 1.2134196297910316
Energy: 1.2021323690423604
Energy: 1.2134196297920736
Energy: 1.2636967316216638
Energy: 1.1820898634260775
Energy: 1.2057805417227367
Energy: 1.1820898634250354
Energy: 1.2818831414655578
Energy: 1.282649236103606
Energy: 1.5455758323888398
Energy: 1.2826492361067319
Energy: 1.309741225285164
Energy: 1.1805943889521053
Energy: 1.3905747103593529
Energy: 1.1805943889541892
Energy: 1.4499993288751265
Energy: 1.21685133420768
Energy: 1.5275747844498868
Energy: 1.216851334206638

minimum gb energy = 1.1740090308015718 eV
minimum distance =  2.23585859381157 Angstroms
sigma value = 89


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

Energy: 2.0881262295900482
Energy: 1.3699519099007111
Energy: 1.3819947089756428
Energy: 1.1332481110338422
Energy: 1.1436890844029468
Energy: 1.148028269690245
Energy: 1.139952465642518
Energy: 1.1480282696905237
Energy: 1.142247489060276
Energy: 1.146416306088519
Energy: 1.2492315755524186
Energy: 1.1464163060893555
Energy: 1.1378581387214814
Energy: 1.1470762769007197
Energy: 1.2499313497666087
Energy: 1.1470762768917349
Energy: 1.1366684441319386
Energy: 1.1708120216916076
Energy: 1.2672488075008803
Energy: 1.1708120216926923
Energy: 1.1974416538967372
Energy: 1.1552326575169627
Energy: 1.2559559750735914
Energy: 1.1552326575175205
Energy: 1.2039175673102376
Energy: 1.1538728017227453
Energy: 1.1991820369905428
Energy: 1.1538728017227453
Energy: 1.260516119827574
Energy: 1.1574659896758566
Energy: 1.1972973098642934
Energy: 1.1574659896764141
Energy: 1.2370267794088767
Energy: 1.1474079377846806
Energy: 1.1333925678481425
Energy: 1.1474079377849595
Energy: 1.4248183672551935
Energy: 1.1471030417819927
Energy: 1.1354864691313777
Energy: 1.147103041783077
Energy: 1.2340787045275636
Energy: 1.1487202557867005
Energy: 1.1423134713091145
Energy: 1.1487202557869793
Energy: 1.4032573196129354
Energy: 1.146419195803849
Energy: 1.408960630301555
Energy: 1.146419195803849
Energy: 1.4242624885742738
Energy: 1.1479290791479515
Energy: 1.4086324205754637
Energy: 1.1479290791474248
Energy: 1.1425929358552727
Energy: 1.2388486346033432
Energy: 1.142015711389412
Energy: 1.2388486346039007
Energy: 1.5764206297589691
Energy: 1.1466867126409326
Energy: 1.142108047817845
Energy: 1.146686712640654

minimum gb energy = 1.1332481110338422 eV
minimum distance =  2.25374683024887 Angstroms
sigma value = 13


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

Energy: 1.3185702160895396
Energy: 1.4109096195362163
Energy: 1.372775606520245
Energy: 1.2063955721411541
Energy: 1.1107202820789175
Energy: 1.1144860081313948
Energy: 1.109365838384034
Energy: 1.1144860081736765
Energy: 1.110077373528237
Energy: 1.1124137786318087
Energy: 1.2892748535145626
Energy: 1.1124137786260948
Energy: 1.1050669597396088
Energy: 1.111290599535083
Energy: 1.284616445703672
Energy: 1.1112905995339404
Energy: 1.1111590786317302
Energy: 1.238312645188663
Energy: 1.189366514376712
Energy: 1.2383126451806636
Energy: 1.221088158346327
Energy: 1.0966668904815866
Energy: 1.1412884524314313
Energy: 1.0966668904815866
Energy: 1.2194406956619224
Energy: 1.0953941275563852
Energy: 1.127392453372805
Energy: 1.0953941275563852
Energy: 1.2619482865419347
Energy: 1.0980827921811762
Energy: 1.131339637928633
Energy: 1.0980827921983174
Energy: 1.2171606829019626
Energy: 1.0981899381515061
Energy: 1.1308328825734602
Energy: 1.0981899381549345
Energy: 1.223579307599256
Energy: 1.0982242499810295
Energy: 1.1249732409040327
Energy: 1.098224249978744
Energy: 1.2032919132684745
Energy: 1.1017910111852969
Energy: 1.1920331841029652
Energy: 1.1017910111830114
Energy: 1.1092587812046946
Energy: 1.1110677501148098
Energy: 1.2159074266773156
Energy: 1.1110677501159525
Energy: 1.1186730932700992
Energy: 1.1120360207336462
Energy: 1.2151273094664492
Energy: 1.112036020734737
Energy: 1.1088579442377156
Energy: 1.1155815638597733
Energy: 1.2180548357228405
Energy: 1.1155815638609161
Energy: 1.424568778470914
Energy: 1.119649684966617
Energy: 1.1078058625350227
Energy: 1.119649684971188
Energy: 1.4207398770759805
Energy: 1.1113974442653969
Energy: 1.1086480195937196
Energy: 1.111397444264254
Energy: 1.1082221226398736
Energy: 1.1167352624528728
Energy: 1.1096655956958397
Energy: 1.11673526245173
Energy: 1.1124476638568963
Energy: 1.1118138158519266
Energy: 1.287547085835992
Energy: 1.111813815850784
Energy: 1.109041255941673
Energy: 1.1126449556828588
Energy: 1.101996567039212
Energy: 1.1126449556851443
Energy: 1.2144371563382534
Energy: 1.1146998839465254
Energy: 1.1131575545337655
Energy: 1.11469988394424
Energy: 1.2883218976098125
Energy: 1.160445650328827
Energy: 1.1070337634211027
Energy: 1.1604456503311125
Energy: 1.1893574922868497
Energy: 1.2093051401355241
Energy: 1.112501132354891
Energy: 1.2093051401355241
Energy: 1.190798621725203
Energy: 1.0974938667027472
Energy: 1.2170585393044708
Energy: 1.0974938667016045
Energy: 1.1296974206130255
Energy: 1.0968192054011574
Energy: 1.1568823880621464
Energy: 1.0968192054011574
Energy: 1.1289521061398629
Energy: 1.101968998221453
Energy: 1.210852748742302
Energy: 1.1019689982145966
Energy: 1.1278255445759529
Energy: 1.1024571365123073
Energy: 1.2629113284869171
Energy: 1.1024571365123073
Energy: 1.1264636350923223
Energy: 1.0993450495310162
Energy: 1.2182435295070984
Energy: 1.0993450495310162
Energy: 1.1909017187793964
Energy: 1.1004501440378076
Energy: 1.216006309956709
Energy: 1.1004501440389505
Energy: 1.1897572553294395
Energy: 1.112711275919873
Energy: 1.1099998156759097
Energy: 1.11271127591873
Energy: 1.2158826507294918
Energy: 1.1121758169291347
Energy: 1.1113278440009255
Energy: 1.1121758169279918
Energy: 1.2144201062653137
Energy: 1.1162279617926314
Energy: 1.1095776905634862
Energy: 1.1162279617914888
Energy: 1.1117828275143786
Energy: 1.1113484976013663
Energy: 1.2123469511775102
Energy: 1.1113484976036518
Energy: 1.1088142510067076
Energy: 1.1196952200283967
Energy: 1.4207405104958957
Energy: 1.1196952200283967
Energy: 1.1103656760069078
Energy: 1.121337968164311
Energy: 1.1093748461901543
Energy: 1.1213379681620255
Energy: 1.574231343146325
Energy: 1.1111785435078712
Energy: 1.1073243108527826
Energy: 1.1111785435078712

minimum gb energy = 1.0953941275563852 eV
minimum distance =  2.26115050348614 Angstroms
sigma value = 37


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

Energy: 1.3389636893400558
Energy: 1.3437136344510292
Energy: 1.305847550274536
Energy: 1.143534587340958
Energy: 1.0646745771975386
Energy: 1.0711978769589958
Energy: 1.0659264076777408
Energy: 1.0711978778258273
Energy: 1.065003016748296
Energy: 1.0728490859285649
Energy: 1.2833143916824878
Energy: 1.072849085926018
Energy: 1.063146689125613
Energy: 1.0717773279762415
Energy: 1.283739622886757
Energy: 1.0717773279772245
Energy: 1.184994555377946
Energy: 1.1288610204402731
Energy: 1.1244387625582735
Energy: 1.1288610204385083
Energy: 1.142808981033533
Energy: 1.0412431673147842
Energy: 1.0720600182809397
Energy: 1.041243167314963
Energy: 1.1434753733767662
Energy: 1.0405814227351597
Energy: 1.068554152659241
Energy: 1.0405814227357628
Energy: 1.1899899858257685
Energy: 1.0296350371440097
Energy: 1.0756960508372775
Energy: 1.029635037143831
Energy: 1.1157136968798427
Energy: 1.020815359205245
Energy: 1.1136879519845257
Energy: 1.0208153592058482
Energy: 1.1145648526354903
Energy: 1.0200082153909518
Energy: 1.116334127309571
Energy: 1.0200082153907508
Energy: 1.1689593019695608
Energy: 1.114408295448499
Energy: 1.1895568873441276
Energy: 1.114408295443584
Energy: 1.0756379495139423
Energy: 1.040638090567647
Energy: 1.2183887056844322
Energy: 1.0406380905688086
Energy: 1.0717629641694475
Energy: 1.0409361466473006
Energy: 1.2171562737538149
Energy: 1.0409361466463174
Energy: 1.1247335014780022
Energy: 1.060002304795001
Energy: 1.1843789315679623
Energy: 1.0600023045817728
Energy: 1.2111461903597682
Energy: 1.0710276554399702
Energy: 1.0642522782699213
Energy: 1.0710276554397913
Energy: 1.1996665498831127
Energy: 1.0718077611693173
Energy: 1.0656857233346435
Energy: 1.0718077611695187
Energy: 1.1980627496336198
Energy: 1.087231744222589
Energy: 1.0651346220873694
Energy: 1.0872317442186568
Energy: 1.065396982687449
Energy: 1.0802052601989827
Energy: 1.191217497279622
Energy: 1.0802052602001444
Energy: 1.0652969398580725
Energy: 1.0726363495961317
Energy: 1.1915529418962112
Energy: 1.072636349597517
Energy: 1.0512148337096863
Energy: 1.0721278882895005
Energy: 1.0656354983426772
Energy: 1.0721278882890986

minimum gb energy = 1.0200082153907508 eV
minimum distance =  2.25593061287784 Angstroms
sigma value = 25


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

Energy: 1.3225427298287202
Energy: 1.2101806803575388
Energy: 1.185162171590193
Energy: 1.0523074579971927
Energy: 0.9933146507720902
Energy: 0.9919229852355853
Energy: 1.030726696514983
Energy: 0.9919229857895608
Energy: 0.9927098945203966
Energy: 0.9992099487095403
Energy: 1.1509814742885283
Energy: 0.9992099487126108
Energy: 0.9918222734999796
Energy: 0.9985239477075043
Energy: 1.1392448898876513
Energy: 0.998523947705969
Energy: 1.031061017859002
Energy: 0.9844601753777965
Energy: 1.031100148484095
Energy: 0.9844601753255985
Energy: 1.1419457614923318
Energy: 0.9635324065724346
Energy: 0.9832082852724083
Energy: 0.9635324065708993
Energy: 1.141522188811933
Energy: 0.9637850824804187
Energy: 0.9830912137720624
Energy: 0.9637850824804187
Energy: 1.0696727762816185
Energy: 1.0528212734846798
Energy: 1.0843431429250068
Energy: 1.0528212734846798
Energy: 1.0016501596561607
Energy: 0.9305310952842587
Energy: 1.1064371198766458
Energy: 0.930531095285794
Energy: 1.0082835662098837
Energy: 0.9292366803733744
Energy: 1.1066179056149583
Energy: 0.9292366803718392
Energy: 1.0410836340391885
Energy: 1.0841320147033275
Energy: 1.075070866678504
Energy: 1.0841320143703215
Energy: 1.044870005164452
Energy: 0.9188360361782146
Energy: 1.0463111599113313
Energy: 0.9188360361766793
Energy: 1.0570749369160286
Energy: 0.9215825991217419
Energy: 1.0428485985497753
Energy: 0.9215825991217419
Energy: 1.0751411335039462
Energy: 0.9721279117703705
Energy: 1.0225016979764041
Energy: 0.9721279094701001
Energy: 1.1063854671040394
Energy: 0.9297959539694239
Energy: 1.0012847753882448
Energy: 0.9297959539709592
Energy: 1.1066591263662013
Energy: 0.9290115353169723
Energy: 1.001657909089429
Energy: 0.9290115353169723
Energy: 0.9895300037252212
Energy: 0.971320445012932
Energy: 1.0694336829205575
Energy: 0.9713204450083264
Energy: 0.9824858043668507
Energy: 0.9637577441339769
Energy: 1.105795970166675
Energy: 0.9637577441339769
Energy: 0.9832785891158906
Energy: 0.9645251702255258
Energy: 1.1903249394441577
Energy: 0.9645251702255258
Energy: 1.0306323318472117
Energy: 0.9951499224960698
Energy: 1.109151176038011
Energy: 0.9951499224960698
Energy: 1.1898190220801004
Energy: 1.0229320465325555
Energy: 0.9928288275322226
Energy: 1.0229320465325555
Energy: 1.0306524794422056
Energy: 0.9997911633546078
Energy: 0.9927002192702019
Energy: 0.9997911633530725
Energy: 1.03068873941815
Energy: 0.9996548787240135
Energy: 1.026656721642294
Energy: 0.999654878720943
Energy: 0.9954906853519864
Energy: 1.000334234999387
Energy: 1.1914433682869794
Energy: 1.0003342345650899
Energy: 0.9932682439961139
Energy: 0.9965324964190619
Energy: 0.9925391432558449
Energy: 0.9965324961689234
Energy: 1.2301068807815085
Energy: 0.9989788527732467
Energy: 0.9922768865202711
Energy: 0.9989788527701762

minimum gb energy = 0.9188360361766793 eV
minimum distance =  2.26561940432944 Angstroms
sigma value = 41


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

Energy: 1.2565829723924344
Energy: 1.1012854397129852
Energy: 1.081584905416883
Energy: 0.9756970051779821
Energy: 0.9313516540301882
Energy: 0.9230201861190078
Energy: 0.912287591157486
Energy: 0.9230201861127147
Energy: 0.9280721304901351
Energy: 0.9312630890798375
Energy: 0.9155773749538332
Energy: 0.931263089098717
Energy: 0.9271932791232196
Energy: 0.9312489791458521
Energy: 0.916898491376191
Energy: 0.931248979149628
Energy: 0.9161410102387336
Energy: 0.9152946761083018
Energy: 0.9123589101309588
Energy: 0.9152946746527121
Energy: 0.9146596683625778
Energy: 0.9011210474833516
Energy: 0.9126319326061858
Energy: 0.9011210474833516
Energy: 0.919261133935785
Energy: 0.9005731224258957
Energy: 0.9133202070961505
Energy: 0.9005731224321888
Energy: 0.9474439741529797
Energy: 0.9402000319011395
Energy: 0.9411815365876086
Energy: 0.9402000318986222
Energy: 0.9204755267007642
Energy: 0.8668720255484333
Energy: 0.9543073297601383
Energy: 0.8668720255522091
Energy: 0.9268610926733507
Energy: 0.8656290221138905
Energy: 1.058702449515046
Energy: 0.8656290221138905
Energy: 0.9539095440014445
Energy: 1.027363250130366
Energy: 0.9918111491874594
Energy: 1.0273632501253314
Energy: 1.03102537711369
Energy: 0.8475058686221574
Energy: 0.9413744383199382
Energy: 0.8475058686246746
Energy: 1.0049007394046854
Energy: 0.8501857885178704
Energy: 0.9470336848145737
Energy: 0.8501857885166119
Energy: 0.9925099395260022
Energy: 0.8433875776782181
Energy: 0.9783108450869274
Energy: 0.8433875776769595
Energy: 0.98281460324412
Energy: 0.8409593003674701
Energy: 0.9801317092370586
Energy: 0.8409593003662116
Energy: 0.9826350556806015
Energy: 0.8414442941697259
Energy: 0.9815219283141572
Energy: 0.8414442941722431
Energy: 0.9555605136451548
Energy: 0.8498584541664288
Energy: 0.9922226061154558
Energy: 0.8498584541576183
Energy: 0.9461084874169966
Energy: 0.8475324357148863
Energy: 1.0318570144260926
Energy: 0.8475324357136278
Energy: 0.9604274688145029
Energy: 0.8486355071825659
Energy: 1.0314799204681824
Energy: 0.8486355071813072
Energy: 0.9878456535031989
Energy: 0.8665608699540619
Energy: 0.9449417430005773
Energy: 0.8665608699578378
Energy: 0.9440069565835822
Energy: 0.8662863402523232
Energy: 0.917874568050361
Energy: 0.8662863402586164
Energy: 0.9363137576663056
Energy: 0.8657898443266862
Energy: 0.9476469617578657
Energy: 0.8657898443292034
Energy: 0.9225597366888427
Energy: 0.9007704214096272
Energy: 0.986789422657256
Energy: 0.9007704214071097
Energy: 0.9156317120750107
Energy: 0.9003974853907266
Energy: 0.9354669312841836
Energy: 0.900397485389468
Energy: 0.9143900358832052
Energy: 0.9024157278919445
Energy: 0.913226581493849
Energy: 0.9024157278932031
Energy: 0.9549226566977603
Energy: 0.931877183192821
Energy: 0.9285788598978544
Energy: 0.9318771831953382
Energy: 0.9578232284976166
Energy: 0.9320614368857938
Energy: 0.9327068871599957
Energy: 0.9320614368807593
Energy: 0.9126832082708782
Energy: 1.0212689508981296
Energy: 0.9288828131402748
Energy: 1.021268950908199
Energy: 0.9304812366638627
Energy: 0.931636690271968
Energy: 0.9095175152224619
Energy: 0.9316366902694507
Energy: 0.9267591864193594
Energy: 0.9327987135399707
Energy: 0.9109745074999913
Energy: 0.9327987135361946
Energy: 0.9278540616287436
Energy: 0.9244902665564653
Energy: 0.9286376917979193
Energy: 0.9244902667489516
Energy: 0.9061006250360026
Energy: 0.9312696469653768
Energy: 0.9305850226675164
Energy: 0.9312696469653768

minimum gb energy = 0.8409593003662116 eV
minimum distance =  2.26541616383822 Angstroms
sigma value = 15


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

Energy: 1.0390398675143466
Energy: 1.0006030691566798
Energy: 1.0396595139241382
Energy: 0.8787333725299169
Energy: 0.8748391717563084
Energy: 0.864522989797346
Energy: 0.8578800930762783
Energy: 0.8645229898069423
Energy: 0.8806604124592268
Energy: 0.8749794624574468
Energy: 0.8520380130141826
Energy: 0.8749794624574468
Energy: 0.8689512961865791
Energy: 0.873977690904698
Energy: 0.8555476428437703
Energy: 0.8739776909068304
Energy: 0.8579995135697134
Energy: 0.8592938843895958
Energy: 0.8581077701813921
Energy: 0.8592938843277536
Energy: 0.8650071749199716
Energy: 0.8455041208801386
Energy: 0.8547630570804599
Energy: 0.8455041208833375
Energy: 0.8781069340855144
Energy: 0.846324308629471
Energy: 0.8604497569126287
Energy: 0.846324308629471
Energy: 0.8832096176646119
Energy: 0.9056686406062201
Energy: 0.8751236763179205
Energy: 0.9056686409664657
Energy: 0.858331708397076
Energy: 0.8151581608469627
Energy: 0.860527202840126
Energy: 0.8151581608469627
Energy: 0.8634592189623295
Energy: 0.814255171975824
Energy: 0.8868864694243389
Energy: 0.8142551719736916
Energy: 0.8879892379108701
Energy: 0.8914810692225182
Energy: 0.9126703217948023
Energy: 0.8914810691756034
Energy: 0.9902709788658329
Energy: 0.7940975002191802
Energy: 0.8677728648726333
Energy: 0.7940975002170478
Energy: 0.9222540531338687
Energy: 0.7967602488588994
Energy: 0.8748730126059902
Energy: 0.7967602488631642
Energy: 0.9239711800667503
Energy: 0.782846219758771
Energy: 0.8940655352914132
Energy: 0.7828462197609034
Energy: 0.8950357106774045
Energy: 0.783883211626672
Energy: 0.967708458153842
Energy: 0.7838832116298707
Energy: 0.8983192979604977
Energy: 0.7857938207909481
Energy: 0.9215400783126411
Energy: 0.7857938207898817
Energy: 0.9317456859907318
Energy: 0.7882564796480587
Energy: 0.9217632348162363
Energy: 0.7882564796448601
Energy: 0.9253215683188243
Energy: 0.7795500757915095
Energy: 0.9265381978768781
Energy: 0.7795500757915095
Energy: 0.9223452185056596
Energy: 0.7874662221139713
Energy: 0.9313205554263474
Energy: 0.7874662221150376
Energy: 0.9220149533636209
Energy: 0.7878922294296327
Energy: 0.9022490092667248
Energy: 0.7878922294296327
Energy: 0.9676833975581777
Energy: 0.7843756337782759
Energy: 0.89592354224326
Energy: 0.7843756337825409
Energy: 0.9653377815628446
Energy: 0.7831889595120171
Energy: 0.9223774559306143
Energy: 0.7831889595098844
Energy: 0.8839627043974644
Energy: 0.7949999185194199
Energy: 0.9184528983330411
Energy: 0.7949999185215525
Energy: 0.8679462538934257
Energy: 0.7939899817571493
Energy: 0.9472656566875393
Energy: 0.7939899817592819
Energy: 0.9121952323317303
Energy: 0.9264658500618471
Energy: 0.8882005984135473
Energy: 0.9264658500597145
Energy: 0.913674062773455
Energy: 0.815585711215594
Energy: 0.8600357197781494
Energy: 0.8155857112166603
Energy: 0.8834963872404198
Energy: 0.8147465829598761
Energy: 0.8578302189746643
Energy: 0.8147465829598761
Energy: 0.8754041304041015
Energy: 0.9047533571125602
Energy: 0.8843230387570431
Energy: 0.904753357111494
Energy: 0.8548431178062156
Energy: 0.8465534560176855
Energy: 0.8706501421583565
Energy: 0.8465534560187516
Energy: 0.8621471860715931
Energy: 0.845441459791567
Energy: 0.8590809022848818
Energy: 0.8454414597926333
Energy: 0.8601330473052812
Energy: 0.8871811412332308
Energy: 0.9077212460581204
Energy: 0.8871811402591184
Energy: 0.8828359406712731
Energy: 0.8744504693479767
Energy: 0.8688483867660172
Energy: 0.8744504693426454
Energy: 0.8750295174574003
Energy: 0.8737452234116132
Energy: 0.8787769208238437
Energy: 0.8737452234137457
Energy: 0.8585988368399784
Energy: 0.8635162914345974
Energy: 0.8720974319925804
Energy: 0.8635162913333525
Energy: 0.9998427524497939
Energy: 0.8693515628115881
Energy: 0.875757522563181
Energy: 0.8693515628105218
Energy: 0.8693429923271804
Energy: 0.8759098566970231
Energy: 0.8558876872311423
Energy: 0.8759098566980895
Energy: 0.8535700268058772
Energy: 0.8763979088983329
Energy: 0.8746987788720866
Energy: 0.8763979089036641

minimum gb energy = 0.7795500757915095 eV
minimum distance =  2.26151103849129 Angstroms
sigma value = 85


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

Energy: 1.0092798805866225
Energy: 0.8996881412759328
Energy: 0.8866851371802379
Energy: 0.7883428438581636
Energy: 0.7682890509055901
Energy: 0.7715894299212155
Energy: 0.7646472497022238
Energy: 0.7715894299045699
Energy: 0.767941665830974
Energy: 0.7694155733335822
Energy: 0.8003410420827801
Energy: 0.7694155733363566
Energy: 0.7679213567511302
Energy: 0.769968868227217
Energy: 0.7781077188932094
Energy: 0.769968868227217
Energy: 0.7948960442693469
Energy: 0.7961161660432376
Energy: 0.7641827669446142
Energy: 0.7961161660432376
Energy: 0.7526086023547751
Energy: 0.752999344473128
Energy: 0.7648782660277579
Energy: 0.7529993444749776
Energy: 0.7565177230820472
Energy: 0.753120685271731
Energy: 0.7645043147827361
Energy: 0.7531206852708064
Energy: 0.7959869231402369
Energy: 0.7980291601068026
Energy: 0.7669373448465587
Energy: 0.7980291601068026
Energy: 0.7719918818298559
Energy: 0.7335748206858782
Energy: 0.7572459837015584
Energy: 0.733574820686803
Energy: 0.772223477691886
Energy: 0.7330169429248671
Energy: 0.7570946989575984
Energy: 0.7330169429239423
Energy: 0.7752662436785377
Energy: 0.8296836468656845
Energy: 0.8266944752451303
Energy: 0.829683646848114
Energy: 0.8543130460101714
Energy: 0.7220145435846921
Energy: 0.7900476761392633
Energy: 0.722014543585617
Energy: 0.8378253745930033
Energy: 0.723604159230087
Energy: 0.8051650650929212
Energy: 0.723604159226388
Energy: 0.8372787423145259
Energy: 0.7174255434761474
Energy: 0.8164617382872337
Energy: 0.717425543477997
Energy: 0.8157918016989313
Energy: 0.7163782275603625
Energy: 0.920266306797592
Energy: 0.7163782275603625
Energy: 0.8280389279503609
Energy: 0.7180674093003996
Energy: 0.8475989172428912
Energy: 0.7180674093003996
Energy: 0.9038306945940338
Energy: 0.7159022529920788
Energy: 0.8480007277319237
Energy: 0.7159022529930034
Energy: 0.9059990347253981
Energy: 0.7140623889868288
Energy: 0.8434016572826022
Energy: 0.714062388985904
Energy: 0.8523340169479688
Energy: 0.7147824218404226
Energy: 0.85152875504446
Energy: 0.7147824218385942
Energy: 0.8520702603437057
Energy: 0.715108980992486
Energy: 0.878845458157636
Energy: 0.7151089809915612
Energy: 0.8723974262756468
Energy: 0.7161465331685767
Energy: 0.8733524381708374
Energy: 0.716146533167652
Energy: 0.8392911780002896
Energy: 0.7138565164984587
Energy: 0.8525751145696223
Energy: 0.7138565164984587
Energy: 0.847495848984019
Energy: 0.7143864286065644
Energy: 0.854327279389695
Energy: 0.7143864286019408
Energy: 0.8437743063686187
Energy: 0.7146761465398584
Energy: 0.9053766351888468
Energy: 0.7146761465389336
Energy: 0.8482280129345227
Energy: 0.9026786467707226
Energy: 0.830390167173889
Energy: 0.9026786467734969
Energy: 0.9211582468581971
Energy: 0.7171952093708729
Energy: 0.8171413875728123
Energy: 0.7171952093717976
Energy: 0.8611306449813534
Energy: 0.717025204539974
Energy: 0.8142680276329264
Energy: 0.7170252045427272
Energy: 0.8150314624852109
Energy: 0.8157046305770844
Energy: 0.8370928979860671
Energy: 0.8157046305770844
Energy: 0.7939574947720377
Energy: 0.721771211578611
Energy: 0.7752355284734199
Energy: 0.7217712115767616
Energy: 0.7898793057402702
Energy: 0.7227501477432581
Energy: 0.7753174706513961
Energy: 0.7227501477414084
Energy: 0.8270793585120719
Energy: 0.7750102925909481
Energy: 0.7752243710034239
Energy: 0.7750102925909481
Energy: 0.8369391698542187
Energy: 0.7325011717826821
Energy: 0.7729232066650814
Energy: 0.7325011717808325
Energy: 0.764706131632362
Energy: 0.7345888393377485
Energy: 0.773796655026899
Energy: 0.7345888393377485
Energy: 0.7656045155437917
Energy: 0.7935024203929009
Energy: 0.8248351978682392
Energy: 0.7935024191052819
Energy: 0.7709341006805444
Energy: 0.7520457037273574
Energy: 0.8476186075126763
Energy: 0.7520457037264326
Energy: 0.7653421652732786
Energy: 0.7546524148684279
Energy: 0.7661153998241763
Energy: 0.7546524148693528
Energy: 0.7841702393056108
Energy: 0.7679770809386807
Energy: 0.7949257995888913
Energy: 0.7679770809377561
Energy: 0.7686369938620485
Energy: 0.7688308375915605
Energy: 0.7689745514299394
Energy: 0.7688308375897108
Energy: 0.7652455863571532
Energy: 0.7855595729002741
Energy: 0.7679083156121809
Energy: 0.7855595728993493
Energy: 0.7641897907388487
Energy: 0.7683733600747041
Energy: 0.8223398488413899
Energy: 0.7683733600765535
Energy: 0.7677842062651358
Energy: 0.7700999281038977
Energy: 0.782284862727014
Energy: 0.7700999281038977
Energy: 0.7676109226022604
Energy: 0.7702966123376256
Energy: 0.7680204758513167
Energy: 0.7702966137343237
Energy: 0.7833087719834945
Energy: 0.7690121499471418
Energy: 0.767827714349203
Energy: 0.7690121499499161

minimum gb energy = 0.7138565164984587 eV
minimum distance =  2.26347707206785 Angstroms
sigma value = 113


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

Energy: 0.014034168162896534
Energy: 0.10371801556126149
Energy: 0.8650051713379636
Energy: 0.014128882850936884
Energy: 0.0940361456845043
Energy: 0.10416932533567085
Energy: 0.09270467514998162
Energy: 0.10416932533638174
Energy: 0.0897414091322784
Energy: 0.10429258560112314
Energy: 0.014729023390632737
Energy: 0.10429258560183403
Energy: 0.08982350637153326
Energy: 0.10496651060606611
Energy: 0.01614549711859178
Energy: 0.10496651060748793
Energy: 0.0907758881881403
Energy: 0.10368612950330126
Energy: 0.09169963449120504
Energy: 0.10368612950401215
Energy: 0.014612971950415577
Energy: 0.1063645370240346
Energy: 0.08963946430334287
Energy: 0.10636453702055908

minimum gb energy = 0.014034168162896534 eV
minimum distance =  2.44462755698515 Angstroms
sigma value = 1