Model name: model_name=EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523954182863236
cohesive_energy=4.432448362714347
mass=58.6934
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: 0.0180460533590349
Energy: 0.018428491212937846
Energy: 0.9809134741724457
Energy: 0.01842849121231447
Energy: 0.018428491212937846
Energy: 1.0683425931574988
Energy: 0.018428491212937846
Energy: 1.0683425931568387
Energy: 0.9809134741724457
Energy: 0.018428491212937846
Energy: 0.0180460533590349
Energy: 0.018428491212937846
Energy: 0.018428491212937846
Energy: 1.0683425931581587
Energy: 0.018428491212937846
Energy: 1.0683425931568387

minimum gb energy = 0.0180460533590349 eV
minimum distance =  2.41026106823066 Angstroms
sigma value = 1


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

Energy: 1.1893883309250053
Energy: 1.2636950251476122
Energy: 1.160310517655959
Energy: 1.2636950251492132
Energy: 1.2034267548425843
Energy: 1.2537721463689937
Energy: 1.18662423843308
Energy: 1.2537721463689937
Energy: 1.1133951033845282
Energy: 1.2447585779971773
Energy: 1.167856899995434
Energy: 1.2447585779963766
Energy: 1.167892507574147
Energy: 1.2449850259336397
Energy: 1.1424322721888165
Energy: 1.2449850259336397
Energy: 1.1667839432754061
Energy: 1.2642782676903683
Energy: 1.1895115923047612
Energy: 1.2642782676879671
Energy: 1.1315389746091724
Energy: 1.223875195154435
Energy: 1.0672857748658875
Energy: 1.2238751951536349
Energy: 1.1809952642726311
Energy: 1.244092389711872
Energy: 1.1342248786479554
Energy: 1.244092389711872
Energy: 1.0610289731201374
Energy: 1.265361087058549
Energy: 1.0622131125510503
Energy: 1.265361087058549
Energy: 1.1418406568535653
Energy: 1.1889736432791747
Energy: 1.1706407084387211
Energy: 1.1889736432791747
Energy: 1.0685100122879525
Energy: 1.2439751998640125
Energy: 1.0538197410580863
Energy: 1.2439751998632123
Energy: 1.1711810742546735
Energy: 1.2547032570826646
Energy: 1.1419453290727342
Energy: 1.254703257081864
Energy: 1.130744587522833
Energy: 1.2651161561746318
Energy: 1.0857013567954477
Energy: 1.2651161561762327
Energy: 1.1832262281605588
Energy: 1.243751295406032
Energy: 1.2047195151308248
Energy: 1.243751295404431
Energy: 1.1735388059870857
Energy: 1.223205252022584
Energy: 1.1255396582783463
Energy: 1.2232052520217835
Energy: 1.162450593411767
Energy: 1.2636071864482767
Energy: 1.1816842565512657
Energy: 1.2636071864474765
Energy: 1.188645021927077
Energy: 1.2640253607673992
Energy: 1.181928522945773
Energy: 1.2640253607657983
Energy: 1.168156843585013
Energy: 1.2450606897160774
Energy: 1.089433784903138
Energy: 1.2450606897144765
Energy: 1.1870991282196457
Energy: 1.2466370999766483
Energy: 1.1823696304683278
Energy: 1.2466370999782495
Energy: 1.120031768534103
Energy: 1.2639892382582494
Energy: 1.0845455574363108
Energy: 1.2639892382566482
Energy: 1.1878177045050449
Energy: 1.1759538203445317
Energy: 1.1446932774750194
Energy: 1.1759538203445317
Energy: 1.0726900177543814
Energy: 1.244328840542682
Energy: 1.0572322420341942
Energy: 1.2443288405434825
Energy: 1.1402162802397313
Energy: 1.244273128134696
Energy: 1.1690979152476153
Energy: 1.244273128133095
Energy: 1.166582739287421
Energy: 1.2641832543271934
Energy: 1.1138106356340296
Energy: 1.2641832543271934
Energy: 1.144063083906506
Energy: 1.2444319377417787
Energy: 1.1314630390448623
Energy: 1.2444319377417787
Energy: 1.1343550606903527
Energy: 1.2238131832332726
Energy: 1.2050940054524535
Energy: 1.2238131832348735
Energy: 1.1603257162519223
Energy: 1.2656116596983704
Energy: 1.1148780209253035
Energy: 1.2656116596967693
Energy: 1.1794522379628336
Energy: 1.224917184934773
Energy: 1.1416054303253147
Energy: 1.224917184933172
Energy: 1.1094268189160408
Energy: 1.2440958619133609
Energy: 1.1645633562693494
Energy: 1.2440958619133609
Energy: 1.1838945994609158
Energy: 1.2638542855846457
Energy: 1.1704752305579322
Energy: 1.263854285585446
Energy: 1.190537739219644
Energy: 1.2645016771479063
Energy: 1.1325245113231917
Energy: 1.2645016771471058
Energy: 1.1952934503262138
Energy: 1.2273033130750393
Energy: 1.182998924777543
Energy: 1.2273033130750393
Energy: 1.127154360595133
Energy: 1.2461106360001153
Energy: 1.173460524293511
Energy: 1.2461106360009158
Energy: 1.1668581072364974
Energy: 1.2451460279904458
Energy: 1.1425305564878923
Energy: 1.2451460279896454

minimum gb energy = 1.0538197410580863 eV
minimum distance =  2.16306821103351 Angstroms
sigma value = 1


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

Energy: 1.2508571486658322
Energy: 1.2517957420950057
Energy: 1.1810063308552239
Energy: 1.2517957420959183
Energy: 1.2032717938216766
Energy: 1.3119621860675004
Energy: 1.222871764455944
Energy: 1.3119621860702384
Energy: 1.1564085277020488
Energy: 1.2560502895292618
Energy: 1.2157617675418433
Energy: 1.256050289532
Energy: 1.1172836079830906
Energy: 1.1920368911784849
Energy: 1.1713134164314194
Energy: 1.1920368911766595
Energy: 1.117225743448505
Energy: 1.2338304175320982
Energy: 1.1449788617256083
Energy: 1.2338304175284476
Energy: 1.2018284937020816
Energy: 1.233667262423452
Energy: 1.1092952152427427
Energy: 1.2336672624261902
Energy: 1.1181973048900777
Energy: 1.1883658180897223
Energy: 1.1750953269026545
Energy: 1.1883658180878969
Energy: 1.0884922476719732
Energy: 1.2519135884127661
Energy: 1.1031318708061266
Energy: 1.2519135884136787
Energy: 1.1423541989891375
Energy: 1.2500286166556442
Energy: 1.2230347685941734
Energy: 1.2500286166529064
Energy: 1.1170099045649207
Energy: 1.2520174221128781
Energy: 1.171143926949321
Energy: 1.252017422116529
Energy: 1.1173878760720934
Energy: 1.2312163929745117
Energy: 1.2227480494562057
Energy: 1.2312163929745117
Energy: 1.1112432186139087
Energy: 1.3081530992470893
Energy: 1.2157215023906793
Energy: 1.3081530992470893
Energy: 1.2490580681208683
Energy: 1.2330472020326309
Energy: 1.1907312071421883
Energy: 1.2330472020289798
Energy: 1.2521229246132723
Energy: 1.2326859663322094
Energy: 1.2506580687838094
Energy: 1.232685966330384
Energy: 1.1112693336279427
Energy: 1.3081715203338158
Energy: 1.2159348294367411
Energy: 1.3081715203310775
Energy: 1.1173560545430616
Energy: 1.2309584738683974
Energy: 1.181607880453395
Energy: 1.230958473870223
Energy: 1.1170920396507042
Energy: 1.2515823796893195
Energy: 1.1680796685728012
Energy: 1.2515823796893195
Energy: 1.1422815471005014
Energy: 1.2502044574162074
Energy: 1.2228065343211612
Energy: 1.2502044574180327
Energy: 1.088303665028258
Energy: 1.251858591746492
Energy: 1.1099314069405835
Energy: 1.2518585917419283
Energy: 1.1181936015610248
Energy: 1.1884977939494668
Energy: 1.1722638781682664
Energy: 1.188497793944903
Energy: 1.20190634965864
Energy: 1.2350373195486122
Energy: 1.1424165489599045
Energy: 1.2350373195504374
Energy: 1.1172140799996624
Energy: 1.2340714615037518
Energy: 1.1460788637400767
Energy: 1.2340714614992299
Energy: 1.1172560067630464
Energy: 1.192014300561197
Energy: 1.1805480348571242
Energy: 1.1920143005621098
Energy: 1.156458853535628
Energy: 1.255975079557899
Energy: 1.1859921567201936
Energy: 1.2559750795551607
Energy: 1.2030013020715389
Energy: 1.3119254929158062
Energy: 1.2228932539628998
Energy: 1.311925492919457
Energy: 1.2508571486658322
Energy: 1.251795742096831
Energy: 1.2467674137862097
Energy: 1.2517957420959183
Energy: 1.2032717938235018
Energy: 1.3119621860665875
Energy: 1.222871764455944
Energy: 1.3119621860702384
Energy: 1.156408527703874
Energy: 1.2560502895292618
Energy: 1.235094089712916
Energy: 1.2560502895338255
Energy: 1.1172836079840034
Energy: 1.19203689118031
Energy: 1.1647676422498645
Energy: 1.1920368911739212

minimum gb energy = 1.088303665028258 eV
minimum distance =  2.15236763755152 Angstroms
sigma value = 25


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

Energy: 1.220583449504996
Energy: 1.3741491213655233
Energy: 1.2464997825522859
Energy: 1.3741491213655233
Energy: 1.179115320050994
Energy: 1.3048451260833374
Energy: 1.1794299928844687
Energy: 1.3048451260843985
Energy: 1.1680222665218292
Energy: 1.4209198583070382
Energy: 1.1792934402435382
Energy: 1.4209198583059772
Energy: 1.1676626175713924
Energy: 1.2770745293191244
Energy: 1.1823665400636298
Energy: 1.2770745293191244
Energy: 1.182150431368084
Energy: 1.3757340266630487
Energy: 1.164419548006705
Energy: 1.3757340266619877
Energy: 1.2729305363657442
Energy: 1.4218991097948324
Energy: 1.181663109632459
Energy: 1.4218991097958935
Energy: 1.1797514176031716
Energy: 1.1922628868148808
Energy: 1.2284220203170073
Energy: 1.1922628868127587
Energy: 1.3178062120381568
Energy: 1.3747097296428765
Energy: 1.1468365880926321
Energy: 1.3747097296418154
Energy: 1.2280522881528135
Energy: 1.1914608334586763
Energy: 1.1800964942461354
Energy: 1.1914608334586763
Energy: 1.182094613848526
Energy: 1.4208676021720419
Energy: 1.1615745148756706
Energy: 1.4208676021720419
Energy: 1.1680169990681446
Energy: 1.374493498310639
Energy: 1.1801783930079477
Energy: 1.374493498309578
Energy: 1.1821891796973756
Energy: 1.3750663536412766
Energy: 1.1811947790669433
Energy: 1.3750663536402157
Energy: 1.1793908425301523
Energy: 1.277505752068275
Energy: 1.1613183835311494
Energy: 1.277505752069336
Energy: 1.2250571519786582
Energy: 1.1800324400322364
Energy: 1.178971490667944
Energy: 1.1800324400322364
Energy: 1.1330652903502132
Energy: 1.3743073740632104
Energy: 1.1442489540130154
Energy: 1.3743073740632104
Energy: 1.1800390538999816
Energy: 1.1887211696628865
Energy: 1.1825353130821925
Energy: 1.1887211696639475
Energy: 1.1248689586873788
Energy: 1.4205280338507553
Energy: 1.1251594385900747
Energy: 1.4205280338518163
Energy: 1.1823787196941413
Energy: 1.3827798612399014
Energy: 1.16899983716606
Energy: 1.3827798612399014
Energy: 1.152812297095828
Energy: 1.2780508433193438
Energy: 1.1820883260893926
Energy: 1.2780508433182827
Energy: 1.1798301953995771
Energy: 1.4209704869905668
Energy: 1.1794138349206742
Energy: 1.4209704869905668
Energy: 1.2193248339983391
Energy: 1.2568213098638226
Energy: 1.17931070367807
Energy: 1.2568213098627616
Energy: 1.223146318914381
Energy: 1.3752997837681145
Energy: 1.2510035461146547
Energy: 1.3752997837681145
Energy: 1.179580705767857
Energy: 1.1896497255291087
Energy: 1.1791736851325778
Energy: 1.1896497255216816
Energy: 1.1678759364613895
Energy: 1.4216755033156259
Energy: 1.1820825416956142
Energy: 1.421675503316687
Energy: 1.180082187574155
Energy: 1.2766450535848197
Energy: 1.1854391655989012
Energy: 1.2766450535826976

minimum gb energy = 1.1248689586873788 eV
minimum distance =  2.15540307405826 Angstroms
sigma value = 9


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

Energy: 1.3459311745151135
Energy: 1.346306321836017
Energy: 1.352228446914124
Energy: 1.3463063218385483
Energy: 1.2733259386479685
Energy: 1.3843148740719164
Energy: 1.2345067697601646
Energy: 1.384314874074448
Energy: 1.1613371455291421
Energy: 1.278760035449061
Energy: 1.2860663408473456
Energy: 1.278760035449061
Energy: 1.2659343683801079
Energy: 1.4009761198732864
Energy: 1.2061914366158655
Energy: 1.4009761198720208
Energy: 1.3472457984169788
Energy: 1.3574802717575083
Energy: 1.2344976003371668
Energy: 1.3574802717575083
Energy: 1.1889061524305407
Energy: 1.27868127794985
Energy: 1.192729161965391
Energy: 1.27868127794985
Energy: 1.3131843466129325
Energy: 1.2069019413594684
Energy: 1.2073409902105299
Energy: 1.2069019413594684
Energy: 1.216823941983148
Energy: 1.2786929220637908
Energy: 1.2320362617106484
Energy: 1.2786929220662935
Energy: 1.310950110690059
Energy: 1.3578750786828802
Energy: 1.2092747659285652
Energy: 1.3578750786841458
Energy: 1.2657461789007398
Energy: 1.345384486060219
Energy: 1.2062171710123606
Energy: 1.345384486060219
Energy: 1.2031042511443182
Energy: 1.3319856844918239
Energy: 1.2978333758761533
Energy: 1.3319856844918239
Energy: 1.2657875197130857
Energy: 1.3702611864525602
Energy: 1.2586740589053302
Energy: 1.3702611864538259
Energy: 1.1888635505674479
Energy: 1.2655766068661016
Energy: 1.1936855615173516
Energy: 1.2655766068686332
Energy: 1.2875591698139106
Energy: 1.4480903099199216
Energy: 1.2901052252518177
Energy: 1.4480903099199216
Energy: 1.1888436436901044
Energy: 1.2654203255979835
Energy: 1.1888665903783524
Energy: 1.2654203255992493
Energy: 1.265652267197757
Energy: 1.266265371072427
Energy: 1.2059861979685433
Energy: 1.266265371072427
Energy: 1.3101822501068345
Energy: 1.3580377391540757
Energy: 1.241608241708327
Energy: 1.3580377391553415
Energy: 1.3184675530478496
Energy: 1.3450713900110933
Energy: 1.206497498619477
Energy: 1.3450713900110933
Energy: 1.2698558717294275
Energy: 1.3890279960851624
Energy: 1.2095316141104686
Energy: 1.3890279960851624
Energy: 1.2806746177451807
Energy: 1.2786646483853117
Energy: 1.2323225276291716
Energy: 1.2786646483865771
Energy: 1.3123156541598195
Energy: 1.343933913958388
Energy: 1.2076949901185792
Energy: 1.3439339139596538

minimum gb energy = 1.1613371455291421 eV
minimum distance =  2.17585118307992 Angstroms
sigma value = 25


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

Energy: 1.2381810012360916
Energy: 1.3654716440559331
Energy: 1.4119697190070528
Energy: 1.365471644057498
Energy: 1.2109147030648313
Energy: 1.3844361797336402
Energy: 1.1920395694154096
Energy: 1.3844361797336402
Energy: 1.1924532848113194
Energy: 1.4816290116068445
Energy: 1.1920121822462268
Energy: 1.4816290116084097
Energy: 1.2379679368329481
Energy: 1.452443076702741
Energy: 1.3345229898765274
Energy: 1.452443076702741
Energy: 1.335858822173362
Energy: 1.2129691134182914
Energy: 1.1919418450583497
Energy: 1.2129691134198568
Energy: 1.1966017766323434
Energy: 1.4812364190556049
Energy: 1.193759561370918
Energy: 1.4812364190571699
Energy: 1.2494894253399265
Energy: 1.3848541750942498
Energy: 1.1925125924568207
Energy: 1.3848541750942498
Energy: 1.3336158109604517
Energy: 1.365737289682827
Energy: 1.2370077236328976
Energy: 1.365737289682827
Energy: 1.192174815051241
Energy: 1.3853267556928395
Energy: 1.2137066199876907
Energy: 1.3853267556944049
Energy: 1.3943184856719206
Energy: 1.4231771454365387
Energy: 1.192376719107322
Energy: 1.4231771454349733
Energy: 1.262108857506806
Energy: 1.45238444607847
Energy: 1.4688928026495724
Energy: 1.4523844460753395
Energy: 1.1926161457219606
Energy: 1.318813447992421
Energy: 1.395595184588688
Energy: 1.318813447992421
Energy: 1.3431404039663395
Energy: 1.4824586271036535
Energy: 1.1918909866974534
Energy: 1.4824586271036535
Energy: 1.192309046531241
Energy: 1.3854575590530365
Energy: 1.2378339323493333
Energy: 1.3854575590546017
Energy: 1.1924463125526363
Energy: 1.451923371261778
Energy: 1.3361427966944612
Energy: 1.451923371261778
Energy: 1.2104781903975323
Energy: 1.3057629771445294
Energy: 1.196549672115739
Energy: 1.3057629771476602
Energy: 1.1926374305079488
Energy: 1.3262120927976084
Energy: 1.3967650100294644
Energy: 1.3262120927976084

minimum gb energy = 1.1918909866974534 eV
minimum distance =  2.26013424564415 Angstroms
sigma value = 17


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

Energy: 1.331224345384345
Energy: 1.330163953407476
Energy: 1.5068466632582347
Energy: 1.3301639534092489
Energy: 1.3800653977026192
Energy: 1.324314117304606
Energy: 1.2235445460584924
Energy: 1.3243141173037194
Energy: 1.3500459839063697
Energy: 1.3180116246532432
Energy: 1.2232902920532793
Energy: 1.3180116246532432
Energy: 1.2251940131197392
Energy: 1.3306450115308044
Energy: 1.3161504504187598
Energy: 1.330645011529918
Energy: 1.3990170017400463
Energy: 1.377767762200021
Energy: 1.224374212857991
Energy: 1.3777677621991344
Energy: 1.2439174377760087
Energy: 1.28630798186007
Energy: 1.3412931150366867
Energy: 1.2863079818609566
Energy: 1.2239966739499226
Energy: 1.3727862319104054
Energy: 1.223443359701567
Energy: 1.3727862319112918
Energy: 1.3425423246821164
Energy: 1.3306612574349375
Energy: 1.241340785899996
Energy: 1.330661257434051
Energy: 1.2464310606725113
Energy: 1.407273348567923
Energy: 1.3907582993080947
Energy: 1.4072733485670366
Energy: 1.4788988233326172
Energy: 1.3212499903748334
Energy: 1.2234591683692835
Energy: 1.3212499903748334
Energy: 1.2289672048171247
Energy: 1.3316079704171873
Energy: 1.3555094461904196
Energy: 1.3316079704180737
Energy: 1.2418018451726553
Energy: 1.369990927142058
Energy: 1.2419379818080085
Energy: 1.369990927142945
Energy: 1.3707219906465877
Energy: 1.3306690507275831
Energy: 1.3364845254842226
Energy: 1.33066905072581
Energy: 1.2233093435724007
Energy: 1.4301877052658474
Energy: 1.365618419926315
Energy: 1.4301877052658474
Energy: 1.3411715439612466
Energy: 1.3724282117887012
Energy: 1.2430902142074798
Energy: 1.3724282117895878
Energy: 1.350133198078283
Energy: 1.3308457561461926
Energy: 1.3431114184835948
Energy: 1.3308457561461926
Energy: 1.2239598398400662
Energy: 1.4073914916168908
Energy: 1.4988009801373499
Energy: 1.4073914916186638
Energy: 1.3416592097658373
Energy: 1.317836486049535
Energy: 1.244049903513257
Energy: 1.3178364860486487
Energy: 1.2621600519203826
Energy: 1.4090288436778384
Energy: 1.2990005758971652
Energy: 1.4090288436769522
Energy: 1.2232617339382967
Energy: 1.330865125456315
Energy: 1.225530620762212
Energy: 1.3308651254474502
Energy: 1.2833045446007794
Energy: 1.318181326687095
Energy: 1.3497862909255571
Energy: 1.318181326685322
Energy: 1.2240121532391157
Energy: 1.4700019786600067
Energy: 1.474173265199423
Energy: 1.4700019786608933
Energy: 1.396310367629599
Energy: 1.330977032185724
Energy: 1.2230547694492613
Energy: 1.330977032187497
Energy: 1.2417014456231463
Energy: 1.3731133060762675
Energy: 1.374709778835875
Energy: 1.3731133060753813
Energy: 1.2414898577633189
Energy: 1.3182478121797916
Energy: 1.3690443362412945
Energy: 1.318247812180678
Energy: 1.373172430383764
Energy: 1.3307302308455498
Energy: 1.2244859175698362
Energy: 1.3307302308446634
Energy: 1.224111622578296
Energy: 1.4036825604084566
Energy: 1.5231890325711237
Energy: 1.4036825604093428
Energy: 1.3412789731820705
Energy: 1.3430706549988884
Energy: 1.3516281561215469
Energy: 1.3430706550006615
Energy: 1.4427602485518458
Energy: 1.5028594037308454
Energy: 1.2292115693629193
Energy: 1.5028594037308454
Energy: 1.2413391461528425
Energy: 1.4073380543920575
Energy: 1.3419301999615687
Energy: 1.4073380543920575

minimum gb energy = 1.2230547694492613 eV
minimum distance =  2.15243087474966 Angstroms
sigma value = 53


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

Energy: 1.1583193884994416
Energy: 1.1577448108196118
Energy: 1.4640716812095036
Energy: 1.1577448108175712
Energy: 1.380403928918737
Energy: 1.2683398034639144
Energy: 1.276871251587105
Energy: 1.2683398034659552
Energy: 1.1586460294067409
Energy: 1.1574679418159495
Energy: 1.3630868282381652
Energy: 1.157467941809827
Energy: 1.1587719068654243
Energy: 1.15737311281217
Energy: 1.3048939951532637
Energy: 1.15737311281217
Energy: 1.3798806834273603
Energy: 1.268260907522338
Energy: 1.2025430549012033
Energy: 1.2682609075202973
Energy: 1.1583193884994416
Energy: 1.1577448108196118
Energy: 1.46411930632667
Energy: 1.1577448108155302
Energy: 1.3804039289207777
Energy: 1.2683398034639144
Energy: 1.276871251587105
Energy: 1.2683398034639144
Energy: 1.1586460294067409
Energy: 1.1574679418159495
Energy: 1.3630868282381652
Energy: 1.157467941809827
Energy: 1.1587719068633833
Energy: 1.157373112814211
Energy: 1.3234427292442779
Energy: 1.157373112814211
Energy: 1.3798806834273603
Energy: 1.268260907522338
Energy: 1.294665421840445
Energy: 1.2682609075202973
Energy: 1.1583193884994416
Energy: 1.1577448108196118
Energy: 1.526923297345137
Energy: 1.1577448108175712
Energy: 1.380403928918737
Energy: 1.2683398034639144
Energy: 1.3228571200616452
Energy: 1.2683398034659552
Energy: 1.1586460294067409
Energy: 1.1574679418159495
Energy: 1.3630868282361244
Energy: 1.157467941809827

minimum gb energy = 1.15737311281217 eV
minimum distance =  2.23816057853944 Angstroms
sigma value = 9


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

Energy: 1.2937286148771279
Energy: 1.4539970012102965
Energy: 1.614665521967403
Energy: 1.453997001208786
Energy: 1.42032354942071
Energy: 1.3545444185453324
Energy: 1.2889173560101708
Energy: 1.3545444185468432
Energy: 1.2536852418243571
Energy: 1.2755126187320915
Energy: 1.2744930749537902
Energy: 1.2755126187313361
Energy: 1.371886978846462
Energy: 1.52225262809937
Energy: 1.2887790215928454
Energy: 1.5222526281016362
Energy: 1.4001773856141284
Energy: 1.3624943098014244
Energy: 1.2671985717075058
Energy: 1.3624943097999136
Energy: 1.2754747059259022
Energy: 1.2749221899754415
Energy: 1.3689026503738937
Energy: 1.274922189974686
Energy: 1.5884365650763406
Energy: 1.3564541580571237
Energy: 1.2840478883623083
Energy: 1.3564541580586345
Energy: 1.2642336686680409
Energy: 1.36161545431847
Energy: 1.3945121288207702
Energy: 1.3616154543388648
Energy: 1.2569948453650162
Energy: 1.539936270550704
Energy: 1.286713283078863
Energy: 1.5399362705499489
Energy: 1.2554123548672864
Energy: 1.3495643030639783
Energy: 1.2715895482962272
Energy: 1.3495643030639783
Energy: 1.2670438134566409
Energy: 1.358752234258386
Energy: 1.5424816699207669
Energy: 1.3587522342425236
Energy: 1.4213068560831466
Energy: 1.470959921490356
Energy: 1.2610298973075822
Energy: 1.4709599214888456
Energy: 1.2574629003799822
Energy: 1.3726779184183326
Energy: 1.481839391379531
Energy: 1.3726779184183326
Energy: 1.377831654482075
Energy: 1.3576201436518773
Energy: 1.3008976145815403
Energy: 1.3576201436526323
Energy: 1.2678175707231991
Energy: 1.4397753271000007
Energy: 1.3901097020377289
Energy: 1.4397753271007558
Energy: 1.261715669082939
Energy: 1.5369907789825994
Energy: 1.3756799432707327
Energy: 1.536990778981844
Energy: 1.3362190334521908
Energy: 1.4399343753822902
Energy: 1.2675485223525134
Energy: 1.4399343753815346
Energy: 1.2712487329030786
Energy: 1.3561331399063639
Energy: 1.440074918707951
Energy: 1.3561331399056087
Energy: 1.3958226781511023
Energy: 1.2776028964348465
Energy: 1.2778458130942574
Energy: 1.2776028964356019
Energy: 1.2613083837577432
Energy: 1.3685708292259324
Energy: 1.3553452982224985
Energy: 1.3685708292259324
Energy: 1.3707351406380441
Energy: 1.5228865335394144
Energy: 1.3748287281304448
Energy: 1.52288653354017
Energy: 1.3668427716313796
Energy: 1.4215999186208346
Energy: 1.2556722988779465
Energy: 1.4215999186223454
Energy: 1.2867946120171787
Energy: 1.357364658853166
Energy: 1.2565839721288232
Energy: 1.3573646588539214
Energy: 1.4980392418289288
Energy: 1.3599496315330166
Energy: 1.2637993972000738
Energy: 1.3599496315330166
Energy: 1.285725692483548
Energy: 1.4802113528698944
Energy: 1.526797745958108
Energy: 1.4802113528691392
Energy: 1.311970984048974
Energy: 1.2752186353337953
Energy: 1.2545377922974432
Energy: 1.27521863533304
Energy: 1.333917604242348
Energy: 1.4464136547649897
Energy: 1.3709131924318485
Energy: 1.4464136547642343
Energy: 1.3130186691850945
Energy: 1.5227269422697394
Energy: 1.371902556074553
Energy: 1.5227269422682972
Energy: 1.3281013143141507
Energy: 1.274821740977397
Energy: 1.253849412958324
Energy: 1.2748217409766418
Energy: 1.2875097029180262
Energy: 1.4814906681439108
Energy: 1.5260438309422264
Energy: 1.481490668146177
Energy: 1.536220926146598
Energy: 1.3572054275022218
Energy: 1.2628152438519147
Energy: 1.3572054275037322
Energy: 1.2921412863042974
Energy: 1.3581116911698432
Energy: 1.2546152950627234
Energy: 1.3581116911705986
Energy: 1.2835581326986096
Energy: 1.446204210619863
Energy: 1.2541834500099132
Energy: 1.4462042106191078
Energy: 1.37105257658961
Energy: 1.524849090521284
Energy: 1.3720543200677866
Energy: 1.524849090521284
Energy: 1.2794901212760832
Energy: 1.4897114606928192
Energy: 1.5874037594834771
Energy: 1.4897114606943298

minimum gb energy = 1.2536852418243571 eV
minimum distance =  2.18566074394007 Angstroms
sigma value = 73


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

Energy: 1.376545483827727
Energy: 1.3752982485461165
Energy: 1.51710555103588
Energy: 1.3752982485461165
Energy: 1.36864438024292
Energy: 1.426095169473627
Energy: 1.296971053153365
Energy: 1.4260951694748254
Energy: 1.2753881316248037
Energy: 1.2980139333156222
Energy: 1.2913958056179717
Energy: 1.2980139333168206
Energy: 1.2539251139345273
Energy: 1.301888329752699
Energy: 1.2923258013851002
Energy: 1.3018883297515005
Energy: 1.3212006283922555
Energy: 1.415031179245321
Energy: 1.2858471523890382
Energy: 1.415031179247718
Energy: 1.2945522696411527
Energy: 1.3101910652512236
Energy: 1.4523763251288653
Energy: 1.3101910652512236
Energy: 1.5857257198517427
Energy: 1.4843664359394033
Energy: 1.274486996562816
Energy: 1.4843664359394033
Energy: 1.2639280982435828
Energy: 1.2854506116932614
Energy: 1.5350682250031173
Energy: 1.2854506116908648
Energy: 1.510577762806404
Energy: 1.2881235607992385
Energy: 1.294503661317932
Energy: 1.2881235608028339
Energy: 1.275507497804832
Energy: 1.391724558164249
Energy: 1.275482758821993
Energy: 1.3917245581666458
Energy: 1.2619864983807727
Energy: 1.2880960698860406
Energy: 1.4534376748694815
Energy: 1.2880960698884374
Energy: 1.421143479532872
Energy: 1.30205619659613
Energy: 1.254179499188363
Energy: 1.3020561965973012
Energy: 1.2922965953652887
Energy: 1.3939229796157404
Energy: 1.4701684352096507
Energy: 1.3939229796157404
Energy: 1.4933064339883644
Energy: 1.4721503760046752
Energy: 1.2941171007932577
Energy: 1.4721503760058734
Energy: 1.268047292490541
Energy: 1.5068952046719102
Energy: 1.4781830748170697
Energy: 1.506895204673109
Energy: 1.459786675380026
Energy: 1.286576672112834
Energy: 1.2644646426404302
Energy: 1.2865766721140326
Energy: 1.3602890841992974
Energy: 1.3779934949495893
Energy: 1.275538269217275
Energy: 1.3779934949507877
Energy: 1.375414198046822
Energy: 1.301474248631323
Energy: 1.2755834150407355
Energy: 1.301474248631323
Energy: 1.2835743325836468
Energy: 1.2856707081955479
Energy: 1.2627317437312615
Energy: 1.2856707081979446
Energy: 1.2961542306692801
Energy: 1.4495739161237524
Energy: 1.6095859936909656
Energy: 1.4495739161249512
Energy: 1.498573120396491
Energy: 1.2887276110764128
Energy: 1.2943441379383798
Energy: 1.2887276110776116
Energy: 1.2924379144743343
Energy: 1.4172294229166693
Energy: 1.4193683368924173
Energy: 1.4172294229130742

minimum gb energy = 1.2539251139345273 eV
minimum distance =  2.2032948356487 Angstroms
sigma value = 7


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

Energy: 1.332052354176927
Energy: 1.331553956128751
Energy: 1.6027112337681224
Energy: 1.3315539561321408
Energy: 1.534323994589784
Energy: 1.4010210136042098
Energy: 1.3084234175115155
Energy: 1.4010210136033627
Energy: 1.2788944803170947
Energy: 1.3314612095660858
Energy: 1.3171471697152823
Energy: 1.3314612095711706
Energy: 1.301204390620822
Energy: 1.4310465510455936
Energy: 1.3106524042918453
Energy: 1.4310465510413568
Energy: 1.279561738196957
Energy: 1.3978007064970668
Energy: 1.3045931319969093
Energy: 1.3978007064970668
Energy: 1.2820766812450342
Energy: 1.3334438687773655
Energy: 1.4882303853747014
Energy: 1.3334438687773655
Energy: 1.4400078612671465
Energy: 1.4638663096144378
Energy: 1.301473463867637
Energy: 1.4638663096178273
Energy: 1.282172193523497
Energy: 1.3327196321233155
Energy: 1.57096176622738
Energy: 1.3327196321267047
Energy: 1.4276327346465887
Energy: 1.410775376733426
Energy: 1.2985357482193125
Energy: 1.4107753767283413
Energy: 1.2839873637024457
Energy: 1.4251095638754216
Energy: 1.408242473820953
Energy: 1.4251095638754216
Energy: 1.2966487572322263
Energy: 1.3361595899815135
Energy: 1.3046820742857161
Energy: 1.336159589978971
Energy: 1.32621883104295
Energy: 1.3983734658147398
Energy: 1.3001667982015492
Energy: 1.3983734658198244
Energy: 1.3423996303027965
Energy: 1.3368912683888554
Energy: 1.3036173821955301
Energy: 1.3368912683871605
Energy: 1.3163531501504537
Energy: 1.3212558428165724
Energy: 1.2999843717592088
Energy: 1.3212558428224657
Energy: 1.2917249042839196
Energy: 1.526270614569779
Energy: 1.4465141596151798
Energy: 1.5262706145646947
Energy: 1.6347260295051698
Energy: 1.3209040857486223
Energy: 1.2953215709596138
Energy: 1.3209040857452325
Energy: 1.2919083877248752
Energy: 1.405267627847621
Energy: 1.4426313292845345
Energy: 1.405267627851858
Energy: 1.3015106560370298
Energy: 1.3628489018821768
Energy: 1.3001118436046912
Energy: 1.3628489018821768
Energy: 1.2923021909876549
Energy: 1.3360045931899978
Energy: 1.3035811891139064
Energy: 1.3360045931849132
Energy: 1.2837636138984083
Energy: 1.3964115193213689
Energy: 1.3004280943933906
Energy: 1.396411519319674
Energy: 1.2976805789602384
Energy: 1.5216453968473869
Energy: 1.2985758963915808
Energy: 1.5216453968414552
Energy: 1.283412636081125
Energy: 1.33133139171167
Energy: 1.4189799782653192
Energy: 1.3313313917142122
Energy: 1.523165258256693
Energy: 1.4107652211721224
Energy: 1.303547387880422
Energy: 1.4107652211695803
Energy: 1.3350991592813346
Energy: 1.33311156665521
Energy: 1.496331208860384
Energy: 1.3331115666543625
Energy: 1.325473868163279
Energy: 1.3975836426198578
Energy: 1.3041990793438836
Energy: 1.3975836426198578
Energy: 1.3020297789883475
Energy: 1.3331931212945665
Energy: 1.3203186527453257
Energy: 1.3331931212928716
Energy: 1.2791679163660856
Energy: 1.433539082763815
Energy: 1.4106417643212668
Energy: 1.4335390827621202
Energy: 1.3009073810801557
Energy: 1.4052544604758588
Energy: 1.3104831978829503
Energy: 1.4052544604648423
Energy: 1.2785900581962506
Energy: 1.3319462997447304
Energy: 1.4815920299927086
Energy: 1.3319462997413407
Energy: 1.5743217129525802
Energy: 1.330436680242198
Energy: 1.3086109917898139
Energy: 1.3304366802413505
Energy: 1.278599089411165
Energy: 1.331966201509612
Energy: 1.5229572661725392
Energy: 1.3319662015053748

minimum gb energy = 1.2785900581962506 eV
minimum distance =  2.17262906279896 Angstroms
sigma value = 29


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

Energy: 1.295339606737167
Energy: 1.281186582275309
Energy: 1.4453834744039535
Energy: 1.2811865822755715
Energy: 1.2390958308394833
Energy: 1.2878237657574985
Energy: 1.290024023310045
Energy: 1.2878237657572034
Energy: 1.2469348058088012
Energy: 1.393419090548017
Energy: 1.3637226725479774
Energy: 1.3934190905477222
Energy: 1.2946523160017023
Energy: 1.2392698774561821
Energy: 1.2894214944329525
Energy: 1.2392698774564774
Energy: 1.2951596198915667
Energy: 1.3639783766043612
Energy: 1.3655098203292755
Energy: 1.3639783766058042
Energy: 1.2537807238256213
Energy: 1.3927423171941145
Energy: 1.2537863124076793
Energy: 1.3927423171941145
Energy: 1.2502514955824906
Energy: 1.3640031848555159
Energy: 1.295380143761244
Energy: 1.3640031848555159
Energy: 1.2902973680315144
Energy: 1.239101436772973
Energy: 1.2946413379346904
Energy: 1.239101436772973
Energy: 1.3636771132661352
Energy: 1.3934241735524062
Energy: 1.2469242627334656
Energy: 1.3934241735524062

minimum gb energy = 1.2390958308394833 eV
minimum distance =  2.25385222118431 Angstroms
sigma value = 5


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

Energy: 1.2639030324738407
Energy: 1.291797321355213
Energy: 1.4317489100438459
Energy: 1.2917973213560134
Energy: 1.3848290658333602
Energy: 1.311122543055892
Energy: 1.2095293837202041
Energy: 1.311122543055892
Energy: 1.2139495215986698
Energy: 1.2792141218310662
Energy: 1.430140137582719
Energy: 1.279214121831867
Energy: 1.2095003617652735
Energy: 1.3413714964965349
Energy: 1.2271377384001432
Energy: 1.3413714964973353
Energy: 1.2323355733587713
Energy: 1.3538040704702423
Energy: 1.4150304764619184
Energy: 1.3538040704702423
Energy: 1.2798365298421788
Energy: 1.2925250139326763
Energy: 1.2087352039872667
Energy: 1.292525013933477
Energy: 1.213949147541212
Energy: 1.353792283325413
Energy: 1.2167983864078202
Energy: 1.353792283327014
Energy: 1.2110694536889037
Energy: 1.2936926484992726
Energy: 1.2097477878241676
Energy: 1.293692648498472
Energy: 1.2327150233790058
Energy: 1.3545696373838474
Energy: 1.249319679166978
Energy: 1.3545696373838474
Energy: 1.2292256928464544
Energy: 1.3534645221098782
Energy: 1.2083261102635783
Energy: 1.3534645221074766
Energy: 1.2445892149533866
Energy: 1.2940660811571933
Energy: 1.214672630492915
Energy: 1.2940660811563929
Energy: 1.2154650511879563
Energy: 1.37224196556187
Energy: 1.2934305156918664
Energy: 1.3722419655610694
Energy: 1.280856772688814
Energy: 1.291931349634943
Energy: 1.2920279310641714
Energy: 1.291931349634943
Energy: 1.2328938932786082
Energy: 1.2917678788887472
Energy: 1.2627642371185885
Energy: 1.2917678788871463
Energy: 1.4501581569140194
Energy: 1.3429371230483282
Energy: 1.2147068459117225
Energy: 1.3429371230483282
Energy: 1.230528162844925
Energy: 1.2784448826801589
Energy: 1.2522635805151474
Energy: 1.2784448826801589
Energy: 1.384998806132137
Energy: 1.3740016471477918
Energy: 1.2102922775231468
Energy: 1.3740016471453902
Energy: 1.2335884762091567
Energy: 1.2921154269921864
Energy: 1.3616278293113493
Energy: 1.2921154269937873
Energy: 1.2160404299237653
Energy: 1.3541161604019207
Energy: 1.209038765055985
Energy: 1.3541161604035217
Energy: 1.2146767354664296
Energy: 1.338842395663492
Energy: 1.2622387563610282
Energy: 1.3388423956610904
Energy: 1.2077968466051383
Energy: 1.3402621484335508
Energy: 1.2279138023623453
Energy: 1.3402621484335508
Energy: 1.2333954699133234
Energy: 1.354830174759
Energy: 1.2367112295660057
Energy: 1.354830174759
Energy: 1.209908673957946
Energy: 1.2924257191810902
Energy: 1.2077782336903886
Energy: 1.2924257191818906
Energy: 1.2925897013305374
Energy: 1.2948029434113126
Energy: 1.2144581058888364
Energy: 1.294802943413714
Energy: 1.2953375488637011
Energy: 1.2740436607124817
Energy: 1.2093573573223657
Energy: 1.2740436607124817
Energy: 1.2660990593123227
Energy: 1.2914646363288014
Energy: 1.2326514514099547
Energy: 1.2914646363296018
Energy: 1.217137779043313
Energy: 1.3309194706001928
Energy: 1.250566051666897
Energy: 1.3309194706001928
Energy: 1.301157910489422
Energy: 1.3113373338525165
Energy: 1.2304947008251528
Energy: 1.3113373338533172
Energy: 1.2157934419702017
Energy: 1.3117217833478034
Energy: 1.3987132090090195
Energy: 1.3117217833470027
Energy: 1.3499538707191605
Energy: 1.291788427783523
Energy: 1.2334736807092155
Energy: 1.291788427783523
Energy: 1.2184257594021235
Energy: 1.2498798965285367
Energy: 1.3489336404490546
Energy: 1.2498798965301374
Energy: 1.385411828847073
Energy: 1.309875773133028
Energy: 1.2149481402837121
Energy: 1.3098757731322275
Energy: 1.2282305185453675
Energy: 1.3414883692230202
Energy: 1.2119724295190157
Energy: 1.3414883692230202

minimum gb energy = 1.2077782336903886 eV
minimum distance =  2.18497198625551 Angstroms
sigma value = 1


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

Energy: 1.3948944719690421
Energy: 1.237505966834692
Energy: 1.3957305202012371
Energy: 1.2375059668313715
Energy: 1.2819018418347115
Energy: 1.3178327766754583
Energy: 1.1716154212929972
Energy: 1.3178327766754583
Energy: 1.1758115790100878
Energy: 1.2377067046796004
Energy: 1.361961221855947
Energy: 1.237706704680707
Energy: 1.1838780428682398
Energy: 1.3172340797841904
Energy: 1.2033130122516262
Energy: 1.317234079786404
Energy: 1.1530470382566056
Energy: 1.3681390140651444
Energy: 1.43360639511697
Energy: 1.3681390140607173
Energy: 1.1523039033515718
Energy: 1.242105956257476
Energy: 1.203318421259851
Energy: 1.242105956257476
Energy: 1.1773953435013964
Energy: 1.3746363203051264
Energy: 1.227006581349051
Energy: 1.374636320301806
Energy: 1.1779994253937152
Energy: 1.2423116614709893
Energy: 1.206756307965525
Energy: 1.242311661473203
Energy: 1.2388464270760702
Energy: 1.2408920209304197
Energy: 1.2159264279228568
Energy: 1.240892020928206
Energy: 1.2386137049643138
Energy: 1.234965746908647
Energy: 1.2256020114519632
Energy: 1.2349657469075404
Energy: 1.1759613787433973
Energy: 1.2421591307155888
Energy: 1.2123783037893017
Energy: 1.2421591307144817
Energy: 1.1783599311802213
Energy: 1.3674805167008726
Energy: 1.2275588742318513
Energy: 1.3674805167030863
Energy: 1.1511326154779733
Energy: 1.2423541701270435
Energy: 1.2031829672170964
Energy: 1.2423541701259366
Energy: 1.152840067166864
Energy: 1.3407183754611505
Energy: 1.2402202103019433
Energy: 1.340718375458937
Energy: 1.2213464584547948
Energy: 1.318830023445648
Energy: 1.2034245785865654
Energy: 1.3188300234445414
Energy: 1.175879167904463
Energy: 1.2381281828024508
Energy: 1.2113109493254628
Energy: 1.2381281828035577
Energy: 1.3398282513663349
Energy: 1.2521241368204512
Energy: 1.1725472336856813
Energy: 1.252124136819344
Energy: 1.3948944719701488
Energy: 1.237505966833585
Energy: 1.4156689521341501
Energy: 1.2375059668324784
Energy: 1.2819018418347115
Energy: 1.3178327766754583
Energy: 1.171615421294104
Energy: 1.3178327766743512
Energy: 1.1758115790111945
Energy: 1.2377067046784933
Energy: 1.36196122185484
Energy: 1.237706704680707
Energy: 1.183878042866026
Energy: 1.3172340797852973
Energy: 1.203313012252733
Energy: 1.3172340797874604
Energy: 1.153047038259926
Energy: 1.3681390140651444
Energy: 1.433606395115863
Energy: 1.3681390140607173
Energy: 1.1523039033526787
Energy: 1.242105956258583
Energy: 1.2033184212587444
Energy: 1.242105956258583
Energy: 1.177395343502503
Energy: 1.3746363203051264
Energy: 1.2543962260567263
Energy: 1.374636320302913

minimum gb energy = 1.1511326154779733 eV
minimum distance =  2.19472990520547 Angstroms
sigma value = 17


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

Energy: 1.2318193449668926
Energy: 1.2312447417882455
Energy: 1.4019170000287278
Energy: 1.231244741790298
Energy: 1.342311729178221
Energy: 1.2108706039644461
Energy: 1.174787923627282
Energy: 1.210870603963762
Energy: 1.1725709018732593
Energy: 1.2132866481237101
Energy: 1.4296679587088381
Energy: 1.2132866481230262
Energy: 1.225145201465427
Energy: 1.1667459194361087
Energy: 1.1676855038245626
Energy: 1.166745919438161
Energy: 1.1625404881211183
Energy: 1.3178160004661637
Energy: 1.3495159856170054
Energy: 1.3178160004668475
Energy: 1.160673966093628
Energy: 1.1875705185028287
Energy: 1.190411210558521
Energy: 1.1875705185000922
Energy: 1.1756152525034735
Energy: 1.2937363339744457
Energy: 1.215095134509965
Energy: 1.2937363339723933
Energy: 1.1605217118748428
Energy: 1.2758416098282297
Energy: 1.1618218728258396
Energy: 1.275841609830282
Energy: 1.2258896335482135
Energy: 1.273178472415349
Energy: 1.224985310559128
Energy: 1.2731784724139807
Energy: 1.2309658459167971
Energy: 1.275672460018194
Energy: 1.1767263808222588
Energy: 1.275672460018194
Energy: 1.172735529857104
Energy: 1.24221499490872
Energy: 1.157629156346604
Energy: 1.242214994907352
Energy: 1.1765571026050003
Energy: 1.2829898162888125
Energy: 1.1640996793372873
Energy: 1.282989816287444
Energy: 1.158750279429353
Energy: 1.261027049910273
Energy: 1.1679039449193596
Energy: 1.2610270499082208
Energy: 1.1654201086851232
Energy: 1.3164908284234627
Energy: 1.231963908001942
Energy: 1.3164908284241468
Energy: 1.1592236838384673
Energy: 1.1756951124079247
Energy: 1.2381502648493987
Energy: 1.175695112409293
Energy: 1.1735411306847452
Energy: 1.2139048826635117
Energy: 1.352375137297591
Energy: 1.2139048826621435
Energy: 1.1873371562117798
Energy: 1.1755495801299463
Energy: 1.1678768359390654
Energy: 1.1755495801299463
Energy: 1.168652631938364
Energy: 1.231688351854196
Energy: 1.1829675428251605
Energy: 1.2316883518521438
Energy: 1.32876208445704
Energy: 1.2853041272088404
Energy: 1.1752079179997832
Energy: 1.285304127206788
Energy: 1.189464489566417
Energy: 1.2138083380625762
Energy: 1.2304148023258183
Energy: 1.213808338061208
Energy: 1.3116992320761647
Energy: 1.1992132204723476
Energy: 1.1689787201664021
Energy: 1.1992132204709796
Energy: 1.170156976786505
Energy: 1.2804787341083024
Energy: 1.3090660128017273
Energy: 1.28047873410625
Energy: 1.2041918858634386
Energy: 1.187498913672407
Energy: 1.1907934997357295
Energy: 1.1874989136751433
Energy: 1.173431746849526
Energy: 1.2956179004579425
Energy: 1.3634688549342986
Energy: 1.2956179004586266
Energy: 1.2088201145117057
Energy: 1.2320993226884907
Energy: 1.1685955631141196
Energy: 1.2320993226912271
Energy: 1.1682400510689048
Energy: 1.319039262207639
Energy: 1.1864433625887034
Energy: 1.3190392622055866
Energy: 1.3187169365651297
Energy: 1.2635621913784107
Energy: 1.1743306924486947
Energy: 1.2635621913797792
Energy: 1.2418176634404905
Energy: 1.1801775576751823
Energy: 1.1579824601735582
Energy: 1.180177557672446
Energy: 1.2317289722726372
Energy: 1.3163880042147944
Energy: 1.1643199439474103
Energy: 1.3163880042147944
Energy: 1.1683798617204502
Energy: 1.2605740639931333
Energy: 1.207470077855919
Energy: 1.2605740639945016
Energy: 1.168569843598458
Energy: 1.3161253341802415
Energy: 1.181426233757083
Energy: 1.3161253341809258
Energy: 1.1580828043843054
Energy: 1.2435971789338562
Energy: 1.1706892893779168
Energy: 1.2435971789359086
Energy: 1.174489834845225
Energy: 1.2758676512032956
Energy: 1.3760240086916724
Energy: 1.2758676512005593
Energy: 1.2081973900632013
Energy: 1.2048636457896251
Energy: 1.1921010090212982
Energy: 1.2048636457855204
Energy: 1.1623099769906873
Energy: 1.2327186776800698
Energy: 1.208676782678887
Energy: 1.2327186776800698
Energy: 1.234574324679747
Energy: 1.2950257376261982
Energy: 1.1743067376121534
Energy: 1.2950257376248302
Energy: 1.190553658056917
Energy: 1.1885155782893224
Energy: 1.1626695329586314
Energy: 1.1885155782872703
Energy: 1.1832884683165474
Energy: 1.3195116122543042
Energy: 1.1698458557765772
Energy: 1.3195116122543042

minimum gb energy = 1.157629156346604 eV
minimum distance =  2.18814583096926 Angstroms
sigma value = 89


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

Energy: 1.0934557423996234
Energy: 1.0932804354516374
Energy: 1.3436497275370147
Energy: 1.0932804354516374
Energy: 1.093994162533786
Energy: 1.135260452220439
Energy: 1.1079441349686403
Energy: 1.135260452220439
Energy: 1.1051959650483942
Energy: 1.3165113645996338
Energy: 1.4905428142028934
Energy: 1.3165113645996338
Energy: 1.0923013704411855
Energy: 1.1353388245291118
Energy: 1.107904460022973
Energy: 1.1353388245291118
Energy: 1.0944239971650969
Energy: 1.2173960944716522
Energy: 1.109533893080198
Energy: 1.2173960944716522
Energy: 1.0945669456840894
Energy: 1.0949559945305327
Energy: 1.0978056396376377
Energy: 1.0949559945305327
Energy: 1.1054408421845785
Energy: 1.3167916054182816
Energy: 1.1084470557161612
Energy: 1.3167916054164914
Energy: 1.1037081784118032
Energy: 1.4473493479879194
Energy: 1.1078625445161463
Energy: 1.4473493479879194
Energy: 1.0948185132491113
Energy: 1.216800014553707
Energy: 1.087246433597435
Energy: 1.216800014553707
Energy: 1.1355994213555596
Energy: 1.0948426713021673
Energy: 1.096073270117798
Energy: 1.0948426713021673
Energy: 1.0933709468033408
Energy: 1.1366729108157156
Energy: 1.1070732394332703
Energy: 1.1366729108139257
Energy: 1.0938655411161193
Energy: 1.3171147627035489
Energy: 1.1076244367107253
Energy: 1.3171147627035489
Energy: 1.0944183368664933
Energy: 1.098541873893636
Energy: 1.1040427477936992
Energy: 1.098541873891846
Energy: 1.0964088868630808
Energy: 1.2142861484400713
Energy: 1.096250129272773
Energy: 1.2142861484400713
Energy: 1.0876420915375096
Energy: 1.09852136959651
Energy: 1.0945173791198866
Energy: 1.09852136959651

minimum gb energy = 1.087246433597435 eV
minimum distance =  2.22332967281597 Angstroms
sigma value = 13


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

Energy: 1.1008589239985982
Energy: 1.0522440245395042
Energy: 1.3050324252599739
Energy: 1.0522440245447555
Energy: 1.2365302110700775
Energy: 1.0829422859838689
Energy: 1.043175588670233
Energy: 1.0829422859823685
Energy: 1.0533929938208513
Energy: 1.0526460935553574
Energy: 1.1932979069372611
Energy: 1.0526460935696118
Energy: 1.0590149170190957
Energy: 1.0827961302880411
Energy: 1.0372282829020156
Energy: 1.082796130277538
Energy: 1.0635614007180938
Energy: 1.147072606501279
Energy: 1.061283106026514
Energy: 1.1470726065042802
Energy: 1.0475131611444422
Energy: 1.0838051232004726
Energy: 1.0713999778335774
Energy: 1.0838051232132266
Energy: 1.0537407851421319
Energy: 1.148141823227456
Energy: 1.1506273962209574
Energy: 1.1481418232327076
Energy: 1.0289517929392482
Energy: 1.0830960797376061
Energy: 1.0713153602339958
Energy: 1.0830960797473594
Energy: 1.064466778461194
Energy: 1.1480816541694683
Energy: 1.292625976183038
Energy: 1.1480816541664673
Energy: 1.2491917124262855
Energy: 1.1735873604993323
Energy: 1.0374520493640733
Energy: 1.173587360498582
Energy: 1.0639522918005946
Energy: 1.175019276197102
Energy: 1.047540872000957
Energy: 1.175019276189668
Energy: 1.085706058310189
Energy: 1.1733377787086758
Energy: 1.0371350354943414
Energy: 1.173337778703424
Energy: 1.1121225324337332
Energy: 1.07501640093259
Energy: 1.0496805844995531
Energy: 1.075016400922905
Energy: 1.3624043614642052
Energy: 1.1738319484589348
Energy: 1.0369222556106898
Energy: 1.173831948458185
Energy: 1.0532914041186454
Energy: 1.0523680802931652
Energy: 1.0496337497719734
Energy: 1.052368080298417
Energy: 1.083554684016368
Energy: 1.1741935140155637
Energy: 1.0424701602455277
Energy: 1.1741935140140634
Energy: 1.068361480245742
Energy: 1.0513436533263585
Energy: 1.042626963285489
Energy: 1.0513436533203564
Energy: 1.0698964582155663
Energy: 1.1445569092676757
Energy: 1.067860956162559
Energy: 1.1445569092729275
Energy: 1.068051174310837
Energy: 1.076784237642143
Energy: 1.0681250346891322
Energy: 1.0767842376383918
Energy: 1.068257860823733
Energy: 1.0771836043774146
Energy: 1.0681329780347115
Energy: 1.0771836043796652
Energy: 1.0699223497357289
Energy: 1.1443260788776146
Energy: 1.067918863516162
Energy: 1.144326078872431
Energy: 1.068284326731951
Energy: 1.0513651554317802
Energy: 1.042621892512158
Energy: 1.0513651554235275
Energy: 1.0586058231031885
Energy: 1.1741422025748467
Energy: 1.0423634577783363
Energy: 1.1741422025898514
Energy: 1.0531277819857796
Energy: 1.0521241220892268
Energy: 1.0486561097426557
Energy: 1.0521241220869761
Energy: 1.3620902026241624
Energy: 1.1738420511329455
Energy: 1.0372168684478136
Energy: 1.173842051133696
Energy: 1.112412376623634
Energy: 1.0752423275525667
Energy: 1.0438891458387967
Energy: 1.0752423275488157
Energy: 1.0854538280692578
Energy: 1.173431124102401
Energy: 1.0371617022422606
Energy: 1.1734311241039013
Energy: 1.0637810174794
Energy: 1.1752590498005453
Energy: 1.0437714437044485
Energy: 1.1752590498102984
Energy: 1.2493337293548208
Energy: 1.173513148417572
Energy: 1.03744803065327
Energy: 1.1735131484085692
Energy: 1.0644100380305426
Energy: 1.1480723655590357
Energy: 1.207470214290273
Energy: 1.148072365560536
Energy: 1.0291433003092167
Energy: 1.0832611517714672
Energy: 1.0714784454784576
Energy: 1.0832611517639648
Energy: 1.0536025284232091
Energy: 1.1483005452040556
Energy: 1.3649618094328342
Energy: 1.1483005452040556
Energy: 1.0479213014298536
Energy: 1.0837531884690095
Energy: 1.0711770540656655
Energy: 1.0837531884720104
Energy: 1.0531277534234829
Energy: 1.1471587547018598
Energy: 1.2313983320956445
Energy: 1.14715875470261
Energy: 1.0614704583593717
Energy: 1.0828153496857482
Energy: 1.037249454750282
Energy: 1.082815349678246

minimum gb energy = 1.0289517929392482 eV
minimum distance =  2.24068862833077 Angstroms
sigma value = 37


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

Energy: 1.1922082001855605
Energy: 1.0455680575833965
Energy: 1.2424021998320929
Energy: 1.0455680575833965
Energy: 1.1544546889204834
Energy: 1.011702566341187
Energy: 0.9682496537507954
Energy: 1.011702566341187
Energy: 1.0016656271844055
Energy: 1.1586148174334452
Energy: 0.9725476128388971
Energy: 1.1586148174334452
Energy: 1.1054879795177062
Energy: 1.0120809747816342
Energy: 0.9804236123827158
Energy: 1.0120809747803434
Energy: 0.977123495841228
Energy: 1.0115571151026577
Energy: 1.004115063292287
Energy: 1.0115571151000762
Energy: 0.9825967116939482
Energy: 1.0118124036040095
Energy: 1.124095689493469
Energy: 1.0118124036040095
Energy: 0.9953180614294196
Energy: 1.076472120177265
Energy: 1.3960656610233537
Energy: 1.0764721201759744
Energy: 0.9560679359656797
Energy: 1.0127886650782056
Energy: 1.015210443802933
Energy: 1.0127886650782056
Energy: 0.9707897310387126
Energy: 1.0118639340866369
Energy: 1.2527882731457467
Energy: 1.0118639340879276
Energy: 1.3581263662250573
Energy: 1.1418019225222868
Energy: 1.1242651755832265
Energy: 1.1418019225222868
Energy: 0.9776559656842896
Energy: 1.105256040592038
Energy: 1.1054073832889446
Energy: 1.105256040592038
Energy: 1.349979340709391
Energy: 1.0120548663868771
Energy: 0.9802710316813649
Energy: 1.0120548663868771
Energy: 1.1243265366925894
Energy: 1.0117733443431693
Energy: 0.9616075775365612
Energy: 1.0117733443405879
Energy: 1.3954492411415844
Energy: 1.0656225917113558
Energy: 0.956345989101041
Energy: 1.0656225917100648
Energy: 1.1912640516635786
Energy: 1.0663633806419937
Energy: 0.9568451479616426
Energy: 1.0663633806419937
Energy: 1.1913293974790313
Energy: 1.0121918642841834
Energy: 0.969173503723866
Energy: 1.0121918642841834
Energy: 1.1239578973694957
Energy: 1.1425459451728004
Energy: 0.9661980838295193
Energy: 1.1425459451715096
Energy: 1.1057430003244593
Energy: 1.1053383771414373
Energy: 0.9744099401750433
Energy: 1.1053383771401466
Energy: 0.9773503236476944
Energy: 1.0140777017236342
Energy: 0.973301240343553
Energy: 1.0140777017249247
Energy: 0.9737514789947311
Energy: 1.0118653270297644
Energy: 1.1249197596559786
Energy: 1.011865327031055

minimum gb energy = 0.9560679359656797 eV
minimum distance =  2.24664434999258 Angstroms
sigma value = 25


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

Energy: 1.087088026217871
Energy: 0.9123170382696593
Energy: 0.8891688440572374
Energy: 0.9123170382736909
Energy: 1.2418130191400343
Energy: 0.9160011442635988
Energy: 0.8965162385195883
Energy: 0.916001144260575
Energy: 1.0226381193891816
Energy: 0.9061227304750799
Energy: 0.8954464881912974
Energy: 0.9061227304720562
Energy: 1.0213798323954038
Energy: 0.936538070978666
Energy: 0.8972549891096391
Energy: 0.936538070978666
Energy: 0.9111391531762889
Energy: 0.9161668680322642
Energy: 0.9015868888979689
Energy: 0.9161668680352879
Energy: 0.9801318191289227
Energy: 0.9064295192089583
Energy: 0.9100649977141834
Energy: 0.9064295192119821
Energy: 0.8956815503787481
Energy: 0.8882963600240888
Energy: 1.0217665100346767
Energy: 0.888296360021065
Energy: 0.8747707295616797
Energy: 0.9497745748220391
Energy: 1.0235551804318799
Energy: 0.9497745748220391
Energy: 0.8949627808684011
Energy: 0.9221439470970949
Energy: 1.2643405272792794
Energy: 0.9221439470981028
Energy: 0.8610033124406752
Energy: 0.8890922342447628
Energy: 0.9520798953041746
Energy: 0.8890922342417391
Energy: 0.8955968910730635
Energy: 0.8881656855119248
Energy: 1.3329283557851033
Energy: 0.8881656855109168
Energy: 1.1988603491425895
Energy: 0.9577986596715664
Energy: 1.0238351445063427
Energy: 0.957798659676606
Energy: 0.8991026234619706
Energy: 0.9364538837557843
Energy: 1.2164484565029243
Energy: 0.9364538837547763
Energy: 1.1946141492514242
Energy: 0.8886231872106085
Energy: 0.9102311193680396
Energy: 0.8886231872106085
Energy: 0.9097373809490564
Energy: 0.8884346022769097
Energy: 0.979836449931761
Energy: 0.8884346022759019
Energy: 1.2176676384590635
Energy: 1.0573366585043613
Energy: 0.8942248312785472
Energy: 1.0573366585013835
Energy: 1.0260647741056053
Energy: 0.9495033551611178
Energy: 0.8654754013809886
Energy: 0.9495033551591019
Energy: 1.2664095247366125
Energy: 0.9161177872706835
Energy: 0.896429448506372
Energy: 0.9161177872706835
Energy: 1.0922217184932959
Energy: 0.9060680537954191
Energy: 0.8610717429958855
Energy: 0.9060680537954191
Energy: 1.4454027792703368
Energy: 1.0574202116182885
Energy: 0.8939716345861767
Energy: 1.0574202116182885
Energy: 1.0264631520613932
Energy: 0.951289270312489
Energy: 0.8610149703962927
Energy: 0.951289270311481
Energy: 1.0205289575416314
Energy: 0.9366394777288815
Energy: 0.9035524289943722
Energy: 0.9366394777298893
Energy: 0.9110847935733254
Energy: 0.8882197264051935
Energy: 1.1928113350827252
Energy: 0.8882197264062015
Energy: 0.980015305824593
Energy: 1.0570993109566833
Energy: 0.9093374576969722
Energy: 1.0570993109556754
Energy: 0.89243204196995
Energy: 1.0537403390940554
Energy: 1.292963842097316
Energy: 1.0537403391021187
Energy: 0.8709782337287353
Energy: 0.9496685176855251
Energy: 1.026807394127254
Energy: 0.9496685176855251

minimum gb energy = 0.8610033124406752 eV
minimum distance =  2.25747827928087 Angstroms
sigma value = 41


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

Energy: 1.231842435444424
Energy: 0.8410892908501422
Energy: 1.1230687577812972
Energy: 0.8410892908501422
Energy: 1.2261813885900557
Energy: 0.8195984230924266
Energy: 0.8083213600913125
Energy: 0.8195984230916002
Energy: 0.8387594764610165
Energy: 0.8059209226168673
Energy: 0.8011046679754078
Energy: 0.8059209226176935
Energy: 1.1834278381418337
Energy: 0.820303910904936
Energy: 0.8085118605713089
Energy: 0.8203039109057625
Energy: 0.8031308340886295
Energy: 0.8645837109108685
Energy: 0.8174695640032151
Energy: 0.8645837109083895
Energy: 0.9852572117755686
Energy: 0.8205183194856303
Energy: 0.808470078953992
Energy: 0.8205183194897618
Energy: 0.8074234474900797
Energy: 0.8198352429152669
Energy: 0.8245197535796851
Energy: 0.8198352429152669
Energy: 0.7883028601037745
Energy: 0.8390396902924602
Energy: 0.80425992253991
Energy: 0.8390396902916339
Energy: 0.8118270239352788
Energy: 0.8412997569696185
Energy: 1.1196879783601876
Energy: 0.8412997569687922
Energy: 0.8005885847564163
Energy: 0.8061854144236826
Energy: 0.839956497094676
Energy: 0.8061854144220301
Energy: 0.8075315282844866
Energy: 0.819702966273585
Energy: 1.362308548220556
Energy: 0.8197029662744114
Energy: 0.7886663253780876
Energy: 0.8415586379557866
Energy: 1.2301062322950373
Energy: 0.841558637954134
Energy: 0.8114394019813024
Energy: 0.8412200436644861
Energy: 1.3630300506700237
Energy: 0.8412200436644861
Energy: 1.0652255749000428
Energy: 0.9329146443433785
Energy: 0.8399264199961822
Energy: 0.9329146443425521
Energy: 0.8073927909228518
Energy: 0.8196072881811062
Energy: 1.182599994983997
Energy: 0.8196072881819324
Energy: 1.0567712685208432
Energy: 0.8420290105295923
Energy: 0.8042237893819327
Energy: 0.8420290105295923
Energy: 0.8114545305463063
Energy: 0.8391571385117307
Energy: 1.0839788371095163
Energy: 0.8391571385084255
Energy: 1.0602148368247146
Energy: 0.9332410446695268
Energy: 0.8084613704653704
Energy: 0.9332410446720059
Energy: 0.8074040590712152
Energy: 0.838678743515614
Energy: 0.7881891561514486
Energy: 0.8386787435164405
Energy: 1.0111264420412667
Energy: 0.8385491395051143
Energy: 0.8114313139732994
Energy: 0.8385491395059407
Energy: 0.8430265379936497
Energy: 0.8389605312545513
Energy: 0.7890956634891397
Energy: 0.8389605312562038
Energy: 1.3628908397939026
Energy: 0.864753861194777
Energy: 0.808382142112508
Energy: 0.8647538611956034
Energy: 1.2154803140346544
Energy: 0.8383624893907666
Energy: 0.7882881879617851
Energy: 0.8383624893915929
Energy: 1.2116792514840007
Energy: 0.8393619930721293
Energy: 0.8114287916467365
Energy: 0.8393619930721293
Energy: 0.8429068745788304
Energy: 0.92985462043428
Energy: 0.7966043647031511
Energy: 0.9298546204351065
Energy: 1.1825682223347818
Energy: 0.8640632613244993
Energy: 0.8085086903482267
Energy: 0.864063261326152
Energy: 0.8073151853343078
Energy: 0.8393822681147055
Energy: 1.056198756439144
Energy: 0.8393822681138792
Energy: 0.806057631057923
Energy: 0.8390793925489917
Energy: 0.8112106666577562
Energy: 0.8390793925481654
Energy: 0.811857412131052
Energy: 0.9295945262826575
Energy: 1.0609816400207754
Energy: 0.92959452628431
Energy: 0.7885692894402263
Energy: 0.894305698305417
Energy: 0.8124543949308708
Energy: 0.8943056983062432
Energy: 0.806113649056294
Energy: 0.8391644747065985
Energy: 1.0629821962020136
Energy: 0.8391644747065985
Energy: 0.7955250219092216
Energy: 0.8390673070365817
Energy: 0.8475304756676261
Energy: 0.8390673070398871

minimum gb energy = 0.7881891561514486 eV
minimum distance =  2.24200180577209 Angstroms
sigma value = 15


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

Energy: 1.1239093085256011
Energy: 0.7682320970205443
Energy: 1.0811159504520422
Energy: 0.7682320970170442
Energy: 1.2563478133656834
Energy: 0.7645811413020547
Energy: 0.7650032153281875
Energy: 0.7645811413027547
Energy: 0.7963000394420093
Energy: 0.7631908947196588
Energy: 0.7355852883471151
Energy: 0.7631908947203588
Energy: 1.1077859694817298
Energy: 0.7643390753790181
Energy: 0.7649459697955456
Energy: 0.764339075379718
Energy: 0.7618715560296803
Energy: 0.7685020107958883
Energy: 0.7483208195825067
Energy: 0.7685020107958883
Energy: 1.0684236119025965
Energy: 0.7641980310252336
Energy: 0.7650344040032055
Energy: 0.7641980310273336
Energy: 0.7642581507337313
Energy: 0.7783688209334264
Energy: 0.7652888934116922
Energy: 0.7783688209348265
Energy: 0.9002491325801983
Energy: 0.7790345215167397
Energy: 0.7649588306177347
Energy: 0.7790345215083396
Energy: 0.7671996625789522
Energy: 0.7811569567879705
Energy: 0.9360160112746254
Energy: 0.7811569567865704
Energy: 0.7401179708291282
Energy: 0.7639693425773412
Energy: 0.7625166404683092
Energy: 0.763969342578041
Energy: 0.764308197526481
Energy: 0.7644407722516665
Energy: 1.1083401839816345
Energy: 0.7644407722509665
Energy: 0.735614492277938
Energy: 0.7634333178342161
Energy: 0.7971566970094176
Energy: 0.7634333178349162
Energy: 0.7670701003244752
Energy: 0.7808191429156146
Energy: 1.456941051337055
Energy: 0.7808191429156146
Energy: 0.7341696778690059
Energy: 0.7632061261442432
Energy: 1.1235857104700797
Energy: 0.7632061261477433
Energy: 0.7643747447062224
Energy: 0.7644912355228324
Energy: 1.3877413122068964
Energy: 0.7644912355564328
Energy: 0.9777376982892743
Energy: 0.7637891851310724
Energy: 0.7971055147169446
Energy: 0.7637891851261724
Energy: 0.7668070532377225
Energy: 0.7795567264490194
Energy: 1.224287572510477
Energy: 0.7795567264497196
Energy: 0.9661505098306412
Energy: 0.7626335214259072
Energy: 0.7623462971848457
Energy: 0.762633521423807
Energy: 0.7644434399924944
Energy: 0.7635366654405591
Energy: 1.0679003858021336
Energy: 0.7635366654405591
Energy: 0.9595606324642223
Energy: 0.7643244876007079
Energy: 0.7649804676598895
Energy: 0.764324487603508
Energy: 0.767062383437807
Energy: 0.7977842507582511
Energy: 0.983501779145738
Energy: 0.797784250756851
Energy: 0.9667040777261566
Energy: 0.7781637697702313
Energy: 0.7704655797863177
Energy: 0.7781637697800313
Energy: 0.764221162480593
Energy: 0.7634675696017332
Energy: 0.730587861447613
Energy: 0.7634675696024332
Energy: 1.281600480051693
Energy: 0.7648201424658052
Energy: 0.7650357936078056
Energy: 0.7648201424672052
Energy: 0.7990623665312304
Energy: 0.7978323428826684
Energy: 0.732694053707621
Energy: 0.7978323428791684
Energy: 1.2447784543955747
Energy: 0.7783682535571793
Energy: 0.7702001034945658
Energy: 0.7783682535578793
Energy: 1.1224647485208956
Energy: 0.7624942687497617
Energy: 0.7318673580866502
Energy: 0.7624942687469617
Energy: 1.3890264616705992
Energy: 0.7654505340186787
Energy: 0.7649574164362317
Energy: 0.7654505340179787
Energy: 0.7990112221519315
Energy: 0.8010227681110087
Energy: 0.7380955112873074
Energy: 0.8010227681117087
Energy: 1.0859550805086466
Energy: 0.778678498399646
Energy: 0.7701666037958247
Energy: 0.7786784983961459
Energy: 0.764461257437857
Energy: 0.7626108295852465
Energy: 0.9597824878251454
Energy: 0.7626108295817465
Energy: 1.0681659570270046
Energy: 0.763144962686833
Energy: 0.7653198613458341
Energy: 0.7631449626861331
Energy: 0.7672610866561045
Energy: 0.7969108582925707
Energy: 0.9733449454525079
Energy: 0.7969108582967709
Energy: 0.7405841856592178
Energy: 0.7974240732019342
Energy: 0.770183950594221
Energy: 0.7974240732012343
Energy: 0.7569717978900042
Energy: 0.7627546281339487
Energy: 0.9778880029069713
Energy: 0.7627546281269487
Energy: 0.730721097629171
Energy: 0.7631034806761772
Energy: 0.7677235651037821
Energy: 0.7631034806824771
Energy: 0.7673445892512458
Energy: 0.8720796685439431
Energy: 1.292933241765455
Energy: 0.8720796685425429

minimum gb energy = 0.730587861447613 eV
minimum distance =  2.246359086839 Angstroms
sigma value = 85


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

Energy: 1.1514932342570452
Energy: 0.7682581203779649
Energy: 0.6917165212721728
Energy: 0.7682581203761435
Energy: 1.3554163488157644
Energy: 0.7528748407471266
Energy: 0.704664888827903
Energy: 0.7528748407453052
Energy: 1.1040296077791532
Energy: 0.7615901115575374
Energy: 0.6839029574791201
Energy: 0.7615901115690727
Energy: 1.3049408807151361
Energy: 0.7474320093526676
Energy: 0.7046018998102179
Energy: 0.7474320093544891
Energy: 0.8251525266126946
Energy: 0.7150261545410979
Energy: 0.6956009070841771
Energy: 0.7150261545429193
Energy: 1.1675941436605963
Energy: 0.7603219395695665
Energy: 0.7044221681475167
Energy: 0.7603219395689593
Energy: 0.7807946646618594
Energy: 0.7732544049852158
Energy: 0.7968558101160734
Energy: 0.7732544049797518
Energy: 1.0298272244469224
Energy: 0.7450540498045393
Energy: 0.7154941040544454
Energy: 0.7450540498002893
Energy: 0.7144823976091512
Energy: 0.7216938437125318
Energy: 0.9526836495794414
Energy: 0.7216938437119246
Energy: 0.8844244947394942
Energy: 0.7636421730408083
Energy: 0.7811657510660039
Energy: 0.7636421730414155
Energy: 0.7056644280517989
Energy: 0.7464233426861501
Energy: 1.096462587989686
Energy: 0.7464233426891856
Energy: 0.7396896480900511
Energy: 0.7547094449246375
Energy: 0.8257702202500542
Energy: 0.7547094449264589
Energy: 0.7039713982091624
Energy: 0.7218558781884455
Energy: 1.2247304948056803
Energy: 0.7218558781902669
Energy: 0.6658345753502983
Energy: 0.7618401914740837
Energy: 1.1036897830493277
Energy: 0.7618401914728694
Energy: 0.7052905521922344
Energy: 0.7463790622926294
Energy: 1.4434260631872207
Energy: 0.7463790622926294
Energy: 0.6658979946085513
Energy: 0.7520679525290777
Energy: 1.065283513546863
Energy: 0.7520679525296848
Energy: 0.7042562711579057
Energy: 0.7234529692247237
Energy: 1.3739097263327078
Energy: 0.7234529692210808
Energy: 0.8629009501973788
Energy: 0.7618088580281795
Energy: 1.1033477129241975
Energy: 0.7618088580312152
Energy: 0.7063444896131525
Energy: 0.7472747102377624
Energy: 1.305485938288131
Energy: 0.7472747102335127
Energy: 0.8653071328288244
Energy: 0.7547174230989646
Energy: 0.8257730108487914
Energy: 0.7547174231026073
Energy: 0.7053153883121086
Energy: 0.7340433969959375
Energy: 1.167171739457119
Energy: 0.7340433969971516
Energy: 0.9352413096827469
Energy: 0.7465368570343319
Energy: 0.7814725401268505
Energy: 0.7465368570343319
Energy: 0.7149989911326797
Energy: 0.7446857780990035
Energy: 1.0292787364468015
Energy: 0.7446857780977892
Energy: 0.9485996907318426
Energy: 0.7720591613237572
Energy: 0.7152715030205062
Energy: 0.7720591613237572
Energy: 0.7830231449603393
Energy: 0.7444832241619301
Energy: 0.8850365205071685
Energy: 0.7444832241595016
Energy: 1.224347391334236
Energy: 0.7465377746496683
Energy: 0.7040220280605314
Energy: 0.7465377746496683
Energy: 0.8272484452787041
Energy: 0.744845810952587
Energy: 0.7379771061940512
Energy: 0.744845810952587
Energy: 1.2428646297557997
Energy: 0.7720909968169443
Energy: 0.7047315114795958
Energy: 0.7720909968175514
Energy: 1.0941034429013128
Energy: 0.7590554566159293
Energy: 0.7401989238637136
Energy: 0.7590554566147151
Energy: 1.4434079527275134
Energy: 0.7466371855112923
Energy: 0.7049909811145989
Energy: 0.7466371855131136
Energy: 1.1508845025542027
Energy: 0.7591986647860484
Energy: 0.6624077878176453
Energy: 0.7591986648060557
Energy: 1.338253622075454
Energy: 0.7718123862157187
Energy: 0.7049746185003196
Energy: 0.7718123862157187
Energy: 1.0946866278558918
Energy: 0.7590045653109861
Energy: 0.6650735924168975
Energy: 0.759004565310379
Energy: 1.3053333000191023
Energy: 0.7472809713018012
Energy: 0.7050009845238036
Energy: 0.7472809713005869
Energy: 0.8274795281794101
Energy: 0.7445390207902869
Energy: 0.8644252131923346
Energy: 0.7445390207872513
Energy: 1.0534628796958558
Energy: 0.7873923171314222
Energy: 0.7070267058930376
Energy: 0.7873923171296009
Energy: 0.7829894406473519
Energy: 0.7445884544644382
Energy: 0.9349254867343519
Energy: 0.7445884544656525
Energy: 1.029286747381316
Energy: 0.7445762563859248
Energy: 0.7137721415464459
Energy: 0.7445762563883531
Energy: 0.715474597963413
Energy: 0.7445776127898284
Energy: 0.9483579221213142
Energy: 0.7445776127898284
Energy: 0.7502361520388976
Energy: 0.8011330373186332
Energy: 0.785389217494742
Energy: 0.8011330373228829
Energy: 0.7041051178734542
Energy: 0.7446248881644068
Energy: 1.2238454067131528
Energy: 0.7446248881631925
Energy: 0.7398519622086848
Energy: 0.7446349946968938
Energy: 0.8258534503218771
Energy: 0.7446349946962866
Energy: 0.7065085584874247
Energy: 0.7444950523797399
Energy: 1.242528858599795
Energy: 0.7444950523845969

minimum gb energy = 0.6624077878176453 eV
minimum distance =  2.26235236266653 Angstroms
sigma value = 113


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

Energy: 0.02040872638416602
Energy: 0.02185209665838957
Energy: 0.8843182683492683
Energy: 0.02185209665932301
Energy: 0.8836704152624588
Energy: 0.4838803902161526
Energy: 0.4832389555153513
Energy: 0.48388039021703416
Energy: 0.02040872638416602
Energy: 0.02185209665885629
Energy: 0.8843182967184615
Energy: 0.02185209665932301
Energy: 0.883670415261992
Energy: 0.48388039021703416
Energy: 0.48323895551441787
Energy: 0.4838803902161526
Energy: 0.02040872638416602
Energy: 0.02185209665885629
Energy: 0.8843183086038547
Energy: 0.02185209665932301
Energy: 0.8836704152624588
Energy: 0.48388039021703416
Energy: 0.4832389555148846
Energy: 0.4838803902166193

minimum gb energy = 0.02040872638416602 eV
minimum distance =  2.48706248728086 Angstroms
sigma value = 1