Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56200759857893
cohesive_energy=4.399993240679222
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=[9.48533428273752e-20, 2.6078629071617996e-19, 3.6620791105674603e-19, 4.2384781764152996e-19, 4.57442257303242e-19, 4.84621581722418e-19, 5.1193548897885e-19, 5.405904180779399e-19, 5.68048521231432e-19, 5.926899978623519e-19, 6.140261840973299e-19, 6.32151608357772e-19, 6.47252123133222e-19, 6.5959208756829e-19, 6.6972585477834e-19, 6.78180540875958e-19, 6.8520288106278e-19, 6.909482864723041e-19, 6.955481355885179e-19, 6.99116182952436e-19, 7.01753365692e-19, 7.03546201345446e-19, 7.0457319656784e-19, 7.0490164277781e-19, 7.045507660949639e-19, 7.03341122736294e-19, 7.00643057284638e-19, 6.95594598710904e-19, 6.871655474394299e-19, 6.741302383452059e-19, 6.55027486338024e-19, 6.28112521063458e-19, 5.91557258982114e-19, 5.43589692736788e-19, 4.824506323833479e-19, 4.06142163659196e-19, 3.12297871675914e-19, 1.98057871141812e-19, 5.8855157561673e-20, -1.124689544828784e-19, -3.2562317474089195e-19, -5.9527591094962795e-19, -9.465611488372978e-19, -1.413727016132286e-18, -2.0395067680166397e-18, -2.8771727775708595e-18, -3.98903529626784e-18, -5.43870073647738e-18, -7.29908415681282e-18, -9.749677405581179e-18, -1.3257306688631038e-17]
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: 0.017477527424272055
Energy: 0.10282283174044773
Energy: 0.7368023347555824
Energy: 0.10282283173980171
Energy: 0.10282283174360604
Energy: 0.334400683709338
Energy: 0.10282283173919157
Energy: 0.3591312920474356
Energy: 0.7368023347966046
Energy: 0.10282283174044773
Energy: 0.017477527424272055
Energy: 0.10282283174044773
Energy: 0.10282283173919157
Energy: 0.3591676535783526
Energy: 0.1028228317423499
Energy: 0.3588700618155991

minimum gb energy = 0.017477527424272055 eV
minimum distance =  2.44207458893201 Angstroms
sigma value = 1


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

Energy: 1.4404998127835447
Energy: 1.0175207279205514
Energy: 1.0228495923332426
Energy: 1.0175207279189846
Energy: 0.9857443953286689
Energy: 1.3807497626694694
Energy: 1.009063143909217
Energy: 1.3807497626663354
Energy: 1.0166499414973877
Energy: 1.0189589112066784
Energy: 1.5641925897268427
Energy: 1.0189589112058948
Energy: 0.9811692051746317
Energy: 1.3710928553770418
Energy: 0.9874375146736099
Energy: 1.3710928553762582
Energy: 1.351258839409478
Energy: 1.0094569940525489
Energy: 0.9474041901190093
Energy: 1.0094569940517655
Energy: 1.044088709397816
Energy: 1.3497977768145488
Energy: 0.9848215929031315
Energy: 1.3497977768129819
Energy: 1.0355534634694314
Energy: 1.1259163015484
Energy: 1.3752623622475648
Energy: 1.1259163015491835
Energy: 1.060185540674785
Energy: 1.3122857184686307
Energy: 1.0541457726004302
Energy: 1.3122857184686307
Energy: 1.1772657385869367
Energy: 1.3079752214161053
Energy: 1.18454001752871
Energy: 1.3079752214153217
Energy: 1.047873659000364
Energy: 1.3292369483884539
Energy: 1.0645069836880081
Energy: 1.3292369483900204
Energy: 1.2638774066216543
Energy: 1.3081936791505553
Energy: 1.1839931981573868
Energy: 1.3081936790942161
Energy: 1.0629304224667695
Energy: 1.3121790804129652
Energy: 1.052852316703318
Energy: 1.3121790804129652
Energy: 1.0334957534208733
Energy: 1.1261077726847224
Energy: 1.487875568413802
Energy: 1.126107772680805
Energy: 1.0587943393812063
Energy: 1.304003388257204
Energy: 1.0533544219963744
Energy: 1.3040033883512214
Energy: 1.4808947182460357
Energy: 1.0094407360826634
Energy: 0.9484476041083663
Energy: 1.009440736085014
Energy: 0.9200561355968137
Energy: 1.3468527010789837
Energy: 0.9877655142630394
Energy: 1.3468527011447957
Energy: 1.0210087148700482
Energy: 0.98216622064787
Energy: 1.6570118800616414
Energy: 0.9821662206470865
Energy: 0.9870972080996129
Energy: 1.3663209740798903
Energy: 1.0365108604973372
Energy: 1.3663209740603035
Energy: 1.552265971326159
Energy: 1.0201354620862844
Energy: 1.0196820847755113
Energy: 1.020135462085501
Energy: 1.0387907652421287
Energy: 1.3746366600578368
Energy: 0.9820885193017002
Energy: 1.3746366600586204
Energy: 0.951933134514621
Energy: 1.010464388408929
Energy: 1.364463891310543
Energy: 1.0104643884073619
Energy: 0.9848257681789888
Energy: 1.3691845286946132
Energy: 1.0440798252073926
Energy: 1.3691845286930462
Energy: 1.3743144737183457
Energy: 1.1260521369673218
Energy: 1.0381391475649013
Energy: 1.1260521369673218
Energy: 1.0585848867769743
Energy: 1.3400555891297659
Energy: 1.0553469633740193
Energy: 1.3400555891289823
Energy: 1.0858412492004557
Energy: 1.3072491275951676
Energy: 1.1791680225886907
Energy: 1.3072491275951676
Energy: 1.0653834291018422
Energy: 1.3489325223125992
Energy: 1.0502925139946027
Energy: 1.3489325223118156
Energy: 1.1838489361015312
Energy: 1.2952896182527873
Energy: 1.2658913209612632
Energy: 1.2952896182512206
Energy: 1.050517788187989
Energy: 1.2703322091030427
Energy: 1.0682172932589677
Energy: 1.2703322090975584
Energy: 1.2734048037486536
Energy: 1.1886735116652942
Energy: 1.032034842789331
Energy: 1.1886735116652942
Energy: 1.0389786743832359
Energy: 1.1557600433875244
Energy: 1.0532862132056466
Energy: 1.1557600433875244
Energy: 0.9461754436240704
Energy: 1.0096349837452097
Energy: 1.4454798808888265
Energy: 1.0096349837467766
Energy: 0.9877838954806516
Energy: 1.1508615696365097
Energy: 0.9198229825046335
Energy: 1.1508615696333755
Energy: 1.6445970437418522
Energy: 1.0103115931341813
Energy: 1.019962757740281
Energy: 1.0103115931341813

minimum gb energy = 0.9198229825046335 eV
minimum distance =  2.34451874066189 Angstroms
sigma value = 1


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

Energy: 1.628048225707828
Energy: 1.1023692108716032
Energy: 1.1032208029494557
Energy: 1.1023692108707097
Energy: 1.0593307128242517
Energy: 1.415580628993511
Energy: 1.0909041196607778
Energy: 1.4155806290452821
Energy: 1.1014205291230001
Energy: 1.102251328686029
Energy: 1.537311301310544
Energy: 1.1022513286824556
Energy: 1.0547920979537257
Energy: 1.4082621012829628
Energy: 1.0606408842515684
Energy: 1.4082621012811762
Energy: 1.544026648656024
Energy: 1.0885336394846339
Energy: 1.0238279643589958
Energy: 1.088533639545338
Energy: 1.1257393284212438
Energy: 1.3991296568180887
Energy: 1.063008006795201
Energy: 1.399129656816302
Energy: 1.1373970869350776
Energy: 1.2973847135247152
Energy: 1.3094335685602894
Energy: 1.2973847135256085
Energy: 1.1401475026903578
Energy: 1.4103129143798034
Energy: 1.134929948505534
Energy: 1.4103129143789106
Energy: 1.336403910110243
Energy: 1.3944850971019405
Energy: 1.2096242231257839
Energy: 1.3944850971028335
Energy: 1.1342455022992668
Energy: 1.3711305105846388
Energy: 1.142260635348985
Energy: 1.3711305105846388
Energy: 1.4536905456032871
Energy: 1.2192438000202197
Energy: 1.135210380153634
Energy: 1.219243800033619
Energy: 1.130083470423023
Energy: 1.4067281318617966
Energy: 1.1244414703936414
Energy: 1.4067281318707296
Energy: 1.023227961244157
Energy: 1.0883986648522068
Energy: 1.398458766434269
Energy: 1.0883986648442077
Energy: 1.0596972849663917
Energy: 1.3886671558197574
Energy: 0.9864219316142124
Energy: 1.3886671556840566
Energy: 1.6273028024543843
Energy: 1.0546896008332076
Energy: 1.1011652234660367
Energy: 1.0546896008314213
Energy: 1.1114086241613368
Energy: 1.4094820028113428
Energy: 1.0903652102301282
Energy: 1.409482002816703
Energy: 1.1040181346095548
Energy: 1.1014914648193137
Energy: 1.5104791600793495
Energy: 1.1014914648184202
Energy: 1.0555032974809522
Energy: 1.4408322771114037
Energy: 1.1174563961459432
Energy: 1.4408322771641087
Energy: 1.5451388821061915
Energy: 1.0887655716490436
Energy: 1.0225589839175995
Energy: 1.0887655716445772
Energy: 1.1259593547832054
Energy: 1.4213529784034094
Energy: 1.0625202855668903
Energy: 1.4213529783980492
Energy: 1.0966626314898227
Energy: 1.29562557614624
Energy: 1.3322757771196052
Energy: 1.2956255761453468
Energy: 1.1300799046857044
Energy: 1.3941039214988784
Energy: 1.1271792295306033
Energy: 1.3941039214944118
Energy: 1.3383121027068696
Energy: 1.3926637900523133
Energy: 1.2090401274128206
Energy: 1.3926637900487402
Energy: 1.1337336001682865
Energy: 1.2941480462361752
Energy: 1.1395944585602003
Energy: 1.2941480462370685
Energy: 1.287303396935397
Energy: 1.2884805770980785
Energy: 1.1357487783302866
Energy: 1.2884805770980785
Energy: 1.1118977201105213
Energy: 1.2836735943953115
Energy: 1.1291621564007
Energy: 1.2836735943970983
Energy: 1.0204360724879282
Energy: 1.0880093357516185
Energy: 1.3994507266506455
Energy: 1.0880093357534049
Energy: 1.0621000523365063
Energy: 1.2053504777119928
Energy: 0.9868633733249595
Energy: 1.205350478379007
Energy: 1.613179080250824
Energy: 1.08691602314134
Energy: 1.1008560001276606
Energy: 1.0869160231404464

minimum gb energy = 0.9864219316142124 eV
minimum distance =  2.34717243732666 Angstroms
sigma value = 25


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

Energy: 1.580551402789311
Energy: 1.1994724884632193
Energy: 1.1997616930549
Energy: 1.1994724884642576
Energy: 1.186645661366054
Energy: 1.171531821791002
Energy: 1.1876055456926335
Energy: 1.171531821694474
Energy: 1.199962070337974
Energy: 1.200332630503794
Energy: 1.443989973832917
Energy: 1.200332630505871
Energy: 1.1790274924216706
Energy: 1.2723153876592022
Energy: 1.149636141671794
Energy: 1.2723154181520626
Energy: 1.4956849973645086
Energy: 1.1811941835658066
Energy: 1.1099603083231562
Energy: 1.1811941835408843
Energy: 1.1424557643923818
Energy: 1.3999354599729468
Energy: 1.1344728905596686
Energy: 1.3999354599812546
Energy: 1.243640558634437
Energy: 1.406335966740039
Energy: 1.2447640759422829
Energy: 1.406335966740039
Energy: 1.1944361810751865
Energy: 1.4002687578596424
Energy: 1.2311204015271
Energy: 1.4002687578627577
Energy: 1.281104234795284
Energy: 1.4043184200864736
Energy: 1.3412788223481698
Energy: 1.4043184200843966
Energy: 1.2223175945719735
Energy: 1.4020198936633992
Energy: 1.1369065102244473
Energy: 1.4020198936748218
Energy: 1.5764832065447416
Energy: 1.180564665982944
Energy: 1.1178166371037652
Energy: 1.1805646659839826
Energy: 1.1455919402688652
Energy: 1.2662085272810395
Energy: 1.144047456607843
Energy: 1.2662085272613088
Energy: 1.198623669833323
Energy: 1.1429068616899876
Energy: 1.5808852131744857
Energy: 1.1429068616899876
Energy: 1.191113900456669
Energy: 1.1711333252453724
Energy: 1.241909655384915
Energy: 1.1711333252484877
Energy: 1.4530770660329666
Energy: 1.1992506007480277
Energy: 1.2007299022134386
Energy: 1.1992506007480277
Energy: 1.2663701614596352
Energy: 1.1728428971992637
Energy: 1.1726805889062564
Energy: 1.172842897200302
Energy: 1.1465311554006408
Energy: 1.1816357804333046
Energy: 1.4994906858880377
Energy: 1.1816357804571418
Energy: 1.1315739672196066
Energy: 1.2708077202109556
Energy: 1.2225843525631888
Energy: 1.2708077202109556
Energy: 1.2531991765094967
Energy: 1.4059880124067239
Energy: 1.2019373825820971
Energy: 1.4059880124056856
Energy: 1.2294779114895071
Energy: 1.3970210301155583
Energy: 1.1930492119617893
Energy: 1.3970210301124433
Energy: 1.293861882848429
Energy: 1.3524615104710282
Energy: 1.2832580410806662
Energy: 1.3524615104710282
Energy: 1.2056493372133685
Energy: 1.3280126905557061
Energy: 1.2223730370061872
Energy: 1.3280126905567446
Energy: 1.115986328605808
Energy: 1.1809444965085778
Energy: 1.1484504937201805
Energy: 1.1809444965096165
Energy: 1.1403423527402456
Energy: 1.2635630383175087
Energy: 1.144384315265404
Energy: 1.2635630382791336
Energy: 1.5635046542316338
Energy: 1.1795573300650377
Energy: 1.1983288170046555
Energy: 1.1795573300671145

minimum gb energy = 1.1099603083231562 eV
minimum distance =  2.34793997150728 Angstroms
sigma value = 9


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

Energy: 1.5077079729390634
Energy: 1.29928360721187
Energy: 1.308846916571045
Energy: 1.299283607216825
Energy: 1.2982750971279933
Energy: 1.263885870143873
Energy: 1.2430517442719733
Energy: 1.2638858701364686
Energy: 1.3031815748298525
Energy: 1.307665428093797
Energy: 1.757965533997142
Energy: 1.3076654280987519
Energy: 1.2947705505952571
Energy: 1.3820934944050287
Energy: 1.2463273236303494
Energy: 1.3820934940483975
Energy: 1.4111134453760334
Energy: 1.284288352466688
Energy: 1.2105115703089768
Energy: 1.2842883524716435
Energy: 1.2853671174677268
Energy: 1.2083922317800884
Energy: 1.2270679761107768
Energy: 1.2083922317912092
Energy: 1.2403405967912997
Energy: 1.4306909870651783
Energy: 1.4180409076736094
Energy: 1.4306909870738496
Energy: 1.221797390614731
Energy: 1.4672145427666516
Energy: 1.238700668503059
Energy: 1.4672145426106202
Energy: 1.206679670819072
Energy: 1.2845088390789743
Energy: 1.4856173266265347
Energy: 1.2845088390727804
Energy: 1.2373918918100204
Energy: 1.3223708590598973
Energy: 1.2533255197326612
Energy: 1.3223708603897668
Energy: 1.472827217445837
Energy: 1.2361159734976177
Energy: 1.3067767289615426
Energy: 1.236115973500095
Energy: 1.359749570186776
Energy: 1.2602633185154595
Energy: 1.2566030009710556
Energy: 1.2602633184386827
Energy: 1.3066775922392013
Energy: 1.3018612238733092
Energy: 1.4677215539376385
Energy: 1.301861224056566
Energy: 1.295690499227807
Energy: 1.2631859152408016
Energy: 1.3993959625525547
Energy: 1.2631859152271747
Energy: 1.4244112790371066
Energy: 1.2850130644502087
Energy: 1.24512174083216
Energy: 1.285013064453925
Energy: 1.2441910245209176
Energy: 1.3356560361016787
Energy: 1.2275353137756353
Energy: 1.3356560360843357
Energy: 1.2494504348620339
Energy: 1.4236536391849481
Energy: 1.4242620439269111
Energy: 1.4236536402226043
Energy: 1.284767114555757
Energy: 1.4495296427118882
Energy: 1.3369085121219917
Energy: 1.4495296427131272
Energy: 1.2423227628121962
Energy: 1.2853276663945419
Energy: 1.1453436965452664
Energy: 1.2853276663945419
Energy: 1.243943855217052
Energy: 1.2800855825663868
Energy: 1.2534848092996351
Energy: 1.2800855825700752
Energy: 1.4675341315091286
Energy: 1.2801478607304981
Energy: 1.3085868808751284
Energy: 1.2801478607032448

minimum gb energy = 1.1453436965452664 eV
minimum distance =  2.34283855415592 Angstroms
sigma value = 25


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

Energy: 1.3431968661132396
Energy: 1.4155835615936672
Energy: 1.406926164963033
Energy: 1.4155835615967312
Energy: 1.429597984068863
Energy: 1.2797150895895444
Energy: 1.2305169203101984
Energy: 1.2797150894930975
Energy: 1.4090708600881616
Energy: 1.4170255197638284
Energy: 1.6678449205063761
Energy: 1.4170255197592325
Energy: 1.4033926638092429
Energy: 1.2831858870739248
Energy: 1.2292089101981014
Energy: 1.2831858870815847
Energy: 1.2624298713442081
Energy: 1.4073305278027763
Energy: 1.2291060460519723
Energy: 1.4073305278180965
Energy: 1.3261668808269655
Energy: 1.229730720744615
Energy: 1.2241790493588962
Energy: 1.2297307206848669
Energy: 1.3256371765460422
Energy: 1.4053155949925078
Energy: 1.2853984291901055
Energy: 1.4053155949833507
Energy: 1.323902373232525
Energy: 1.4024302059301843
Energy: 1.3393085133149722
Energy: 1.4024302059347802
Energy: 1.414175226702897
Energy: 1.2164896433232681
Energy: 1.6048206762790918
Energy: 1.2164896433018202
Energy: 1.231276148532739
Energy: 1.2858950392490736
Energy: 1.5033539689275897
Energy: 1.2858950392414132
Energy: 1.66869630858611
Energy: 1.416176367262869
Energy: 1.4113419363764446
Energy: 1.416176367262869
Energy: 1.5129453777905841
Energy: 1.2815512143028183
Energy: 1.4237242808283488
Energy: 1.281551214480461
Energy: 1.3350518236339504
Energy: 1.4087650059530903
Energy: 1.2737567382856658
Energy: 1.4087650059714396
Energy: 1.2272434744589233
Energy: 1.4041534928046693
Energy: 1.3298082419023982
Energy: 1.4041534928092652
Energy: 1.311181595905103
Energy: 1.3988852397056106
Energy: 1.204608505047215
Energy: 1.3988852408525596
Energy: 1.3319309043675538
Energy: 1.4028301881289478
Energy: 1.330652490954719
Energy: 1.4028301881381398
Energy: 1.4057366514170426
Energy: 1.369594367043202
Energy: 1.3384351323774726
Energy: 1.3695943670401378

minimum gb energy = 1.204608505047215 eV
minimum distance =  2.3467195479386 Angstroms
sigma value = 17


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

Energy: 1.8873762599181365
Energy: 1.5916385041366694
Energy: 1.5539832186290456
Energy: 1.591638504138405
Energy: 1.2905315978595906
Energy: 1.4283425979172928
Energy: 1.5013776321128174
Energy: 1.4283425978600675
Energy: 1.3201616765263462
Energy: 1.3853140213775677
Energy: 1.7229628124085212
Energy: 1.3853140213767001
Energy: 1.3083513547511116
Energy: 1.4303583637817794
Energy: 1.3202891634083636
Energy: 1.4303583637843824
Energy: 1.4190198831641723
Energy: 1.3954172966250074
Energy: 1.28334246248243
Energy: 1.3954172966215368
Energy: 1.475875578586826
Energy: 1.4671235138172927
Energy: 1.322905333759487
Energy: 1.4671235138181602
Energy: 1.4924705915169492
Energy: 1.3165178960377617
Energy: 1.3168928760754801
Energy: 1.3165178960368942
Energy: 1.5351875142760885
Energy: 1.4237515514150283
Energy: 1.288713014500186
Energy: 1.4237515514158958
Energy: 1.5648753729592493
Energy: 1.5868255964275886
Energy: 1.6717851884943546
Energy: 1.5868255964224223
Energy: 1.5356787726656536
Energy: 1.4409244772868655
Energy: 1.4166089980584073
Energy: 1.44092447729641
Energy: 1.3841744084061889
Energy: 1.4956353183353774
Energy: 1.2836150290771398
Energy: 1.4956353183353774
Energy: 1.418912217880906
Energy: 1.251101398313444
Energy: 1.2533685512731658
Energy: 1.2511013983065422
Energy: 1.5114927255655821
Energy: 1.2539164335781976
Energy: 1.287176492438535
Energy: 1.2539164335417563
Energy: 1.500422810872919
Energy: 1.5957518464688363
Energy: 1.2253231728853171
Energy: 1.5957518464558211
Energy: 1.5505023212735012
Energy: 1.3745336456058674
Energy: 1.5356610155970762
Energy: 1.3745336456049997
Energy: 1.5656106613809635
Energy: 1.4064657233721445
Energy: 1.6607267032006303
Energy: 1.406465723371277
Energy: 1.529021559835016
Energy: 1.3084887093145
Energy: 1.315178290854061
Energy: 1.308488709309294
Energy: 1.5227338680412936
Energy: 1.3084869821297227
Energy: 1.3262589952327621
Energy: 1.3084869821297227
Energy: 1.3207834688323468
Energy: 1.517511234408915
Energy: 1.397905982628255
Energy: 1.517511234408915
Energy: 1.3480173300904792
Energy: 1.4201409556673048
Energy: 1.3096402737055859
Energy: 1.4201409556759814
Energy: 1.3062413572518574
Energy: 1.4297062105289546
Energy: 1.5491767919734698
Energy: 1.4297062105280867
Energy: 1.356742377728366
Energy: 1.4653261456742188
Energy: 1.4951280219910166
Energy: 1.4653261456750866
Energy: 1.440453301127744
Energy: 1.429137417706837
Energy: 1.5064585709525116
Energy: 1.429137417712043
Energy: 1.5861865300464286
Energy: 1.5895854431813805
Energy: 1.576738715469066
Energy: 1.589585443182248
Energy: 1.289410154986733
Energy: 1.429563643915485
Energy: 1.5390574930417755
Energy: 1.429563643910279
Energy: 1.2530155454767211
Energy: 1.289705789618765
Energy: 1.3874166057744117
Energy: 1.2897057896022797
Energy: 1.2261533421583892
Energy: 1.2515178549999506
Energy: 1.5162917552054467
Energy: 1.2515178549878037
Energy: 1.252601523131186
Energy: 1.3106320005044236
Energy: 1.503089900283752
Energy: 1.3106320005044236
Energy: 1.2301656898993447
Energy: 1.4295092252260777
Energy: 1.4746060004244488
Energy: 1.4295092252260777
Energy: 1.8840036203646942
Energy: 1.5897350368849563
Energy: 1.5618476206883412
Energy: 1.5897350368849563

minimum gb energy = 1.2253231728853171 eV
minimum distance =  2.3071454408993 Angstroms
sigma value = 53


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

Energy: 1.721243296330985
Energy: 1.4549249101563173
Energy: 1.453960758362935
Energy: 1.4549249101523223
Energy: 1.417734242367995
Energy: 1.2057534787110011
Energy: 1.4604978287567154
Energy: 1.2057534786930237
Energy: 1.4540820401895445
Energy: 1.4547181064099795
Energy: 1.4538119954588353
Energy: 1.4547181064119772
Energy: 1.3924842500121584
Energy: 1.2128232379863257
Energy: 1.460153002032568
Energy: 1.2128232380242323
Energy: 1.458723200978932
Energy: 1.2081074604010034
Energy: 1.1370663153816472
Energy: 1.2081074603990059
Energy: 1.492323158559053
Energy: 1.242082661551877
Energy: 1.1429999517080593
Energy: 1.2420826615638616
Energy: 1.6797687613178391
Energy: 1.3919372944229014
Energy: 1.452529207462859
Energy: 1.3919372944328887
Energy: 1.6073529866467404
Energy: 1.2154043569290995
Energy: 1.386119580111331
Energy: 1.2154043569350919
Energy: 1.3974670779161
Energy: 1.3944208400226776
Energy: 1.4107174936564153
Energy: 1.394420840336147
Energy: 1.4188007196021428
Energy: 1.2102766595153789
Energy: 1.4601840283361633
Energy: 1.2102766595173764
Energy: 1.4554484841597304
Energy: 1.2103209290842059
Energy: 1.1380896393195472
Energy: 1.2103209290862036
Energy: 1.4599314744503409
Energy: 1.2061537844919048
Energy: 1.1353114991185567
Energy: 1.206153784531809
Energy: 1.6074779402374584
Energy: 1.2027708236189665
Energy: 1.4166740532799087
Energy: 1.2027708229241578

minimum gb energy = 1.1353114991185567 eV
minimum distance =  2.38288234704302 Angstroms
sigma value = 9


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

Energy: 1.6686335543356292
Energy: 1.6316860833969093
Energy: 1.6360586874857785
Energy: 1.6316860833946916
Energy: 1.3418577998038583
Energy: 1.2076458935615526
Energy: 1.7344671515485144
Energy: 1.2076458935497238
Energy: 1.2020933850908375
Energy: 1.211206755151819
Energy: 1.556414588958923
Energy: 1.2112067551348824
Energy: 1.2008515303972351
Energy: 1.1985378852441562
Energy: 1.7284631531546963
Energy: 1.1985378852522885
Energy: 1.2116803813127313
Energy: 1.2311445637484342
Energy: 1.655428241457069
Energy: 1.231144563718123
Energy: 1.3013059443901978
Energy: 1.216367955945913
Energy: 1.6354063506569196
Energy: 1.2163679559703102
Energy: 1.7098897063319864
Energy: 1.5124528286742065
Energy: 1.6538345932308725
Energy: 1.5124528286756849
Energy: 1.7423217454745816
Energy: 1.4239987040889854
Energy: 1.5207359303425436
Energy: 1.423998704090464
Energy: 1.3164045747140503
Energy: 1.467555563112688
Energy: 1.3186186617886366
Energy: 1.4675555631171238
Energy: 1.2089182883331837
Energy: 1.4583124231310394
Energy: 1.5883533636527338
Energy: 1.458312423128082
Energy: 1.301170719583253
Energy: 1.2543545455178118
Energy: 1.7134659459367505
Energy: 1.254354545520769
Energy: 1.4082107773639307
Energy: 1.318186360709468
Energy: 1.6770899791475213
Energy: 1.3181863607102071
Energy: 1.7117469146436664
Energy: 1.2640239986451614
Energy: 1.5741472998860975
Energy: 1.2640239986392472
Energy: 1.701470052786063
Energy: 1.3075258297208272
Energy: 1.3121748305904208
Energy: 1.3075258297208272
Energy: 1.6241546610415698
Energy: 1.3009290598045844
Energy: 1.3002900612746828
Energy: 1.3009290598038452
Energy: 1.4314103625328967
Energy: 1.4624629807677896
Energy: 1.3010608165169752
Energy: 1.4624629807685292
Energy: 1.5416142402938062
Energy: 1.2047710912367053
Energy: 1.3728943606704151
Energy: 1.2047710912352267
Energy: 1.6359188639919435
Energy: 1.6354839651256796
Energy: 1.6696099155609583
Energy: 1.6354839651242008
Energy: 1.7065928281228326
Energy: 1.2045287988120137
Energy: 1.4875762116370717
Energy: 1.2045287988075781
Energy: 1.5578709657904672
Energy: 1.2092317687904577
Energy: 1.2355082861769116
Energy: 1.2092317689596912
Energy: 1.7313316333164828
Energy: 1.1969044341878181
Energy: 1.2025805722359275
Energy: 1.196904434190036
Energy: 1.6611426532682094
Energy: 1.2221173118342616
Energy: 1.2123971562174898
Energy: 1.2221173118342616
Energy: 1.6548566832678162
Energy: 1.2149925111033681
Energy: 1.2984483992067979
Energy: 1.2149925110376374
Energy: 1.5567348093346773
Energy: 1.5118477528778764
Energy: 1.7126460812531275
Energy: 1.5118477528756584
Energy: 1.5209035645420212
Energy: 1.4238112250189945
Energy: 1.712004459110226
Energy: 1.423811225019734
Energy: 1.2993886939832395
Energy: 1.354628575691416
Energy: 1.320509681360959
Energy: 1.3546285757379923
Energy: 1.582359458218841
Energy: 1.460954792649908
Energy: 1.2105281203081057
Energy: 1.4609547926506474
Energy: 1.7075036128781853
Energy: 1.2539845025930234
Energy: 1.2990652223649755
Energy: 1.2539845025930234
Energy: 1.6761049283585863
Energy: 1.4505296188500825
Energy: 1.4067131375369226
Energy: 1.4505296188493433
Energy: 1.6098383383497166
Energy: 1.2507976784898196
Energy: 1.7082106758738096
Energy: 1.2507976784890802
Energy: 1.3402227430522222
Energy: 1.3088419799392523
Energy: 1.5223587543580184
Energy: 1.3088419799422095
Energy: 1.2995309265319566
Energy: 1.4038433795825347
Energy: 1.6253163622526412
Energy: 1.4038433795795773
Energy: 1.3019636195453892
Energy: 1.4683502810749098
Energy: 1.3990104336594273
Energy: 1.4683502810631481
Energy: 1.3693310073343834
Energy: 1.2089799199510818
Energy: 1.3912357410023988
Energy: 1.2089799200131837
Energy: 1.6702486026591843
Energy: 1.633911642572721
Energy: 1.63453573148029
Energy: 1.6339116429341063

minimum gb energy = 1.1969044341878181 eV
minimum distance =  2.30697713858673 Angstroms
sigma value = 73


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

Energy: 1.8412663931497795
Energy: 1.5164619452355488
Energy: 1.5626181501204226
Energy: 1.5164619452367218
Energy: 1.2307267538671287
Energy: 1.660812199012672
Energy: 1.398255109217914
Energy: 1.6608121991697695
Energy: 1.194894571227603
Energy: 1.221952880088146
Energy: 1.5041626242958386
Energy: 1.2219528801174702
Energy: 1.2067803309560097
Energy: 1.209750081432372
Energy: 1.6990479342713842
Energy: 1.2097500814394098
Energy: 1.2175055275084954
Energy: 1.2245514683483316
Energy: 1.6324317476886852
Energy: 1.2245514683600613
Energy: 1.3699659055654054
Energy: 1.5259142648906077
Energy: 1.6320021771501487
Energy: 1.5259142649023372
Energy: 1.4461869774869014
Energy: 1.6113379504529484
Energy: 1.6002299592284956
Energy: 1.6113379504681968
Energy: 1.4507715033473079
Energy: 1.428617492713476
Energy: 1.4852606721669785
Energy: 1.4286174926454707
Energy: 1.3369115369670743
Energy: 1.5982416063462013
Energy: 1.5022444954551284
Energy: 1.5982416061996334
Energy: 1.3123841918943477
Energy: 1.5162882601723948
Energy: 1.5252774750910605
Energy: 1.5162882601887897
Energy: 1.3500158472224673
Energy: 1.1891079438118786
Energy: 1.5540852646868357
Energy: 1.1891079438107057
Energy: 1.3697311114401851
Energy: 1.2052398947694223
Energy: 1.6004928254429776
Energy: 1.20523989477646
Energy: 1.4614117363480044
Energy: 1.2717069198934303
Energy: 1.3512635752516053
Energy: 1.2717069199098252
Energy: 1.4646521906718826
Energy: 1.4474940986007616
Energy: 1.284639280866468
Energy: 1.4474940986077995
Energy: 1.6078859932004288
Energy: 1.2700985471727686
Energy: 1.2671698852425302
Energy: 1.270098547244293
Energy: 1.8541529908524572
Energy: 1.2719540774612799
Energy: 1.3032651976830434
Energy: 1.271954077460107
Energy: 1.6335785329356998
Energy: 1.3024783680004635
Energy: 1.3088315353718538
Energy: 1.3024783679781773
Energy: 1.563644647726304
Energy: 1.527051786678181
Energy: 2.3412223451274214
Energy: 1.5270517866711433
Energy: 1.3960121390522005
Energy: 1.3020175809400838
Energy: 1.4510416573624787
Energy: 1.3020175809283543
Energy: 1.4315074640110477
Energy: 1.2972235036453783
Energy: 1.4083845072110892
Energy: 1.2972235036782216
Energy: 1.4578356081202346
Energy: 1.5001872408664514
Energy: 1.2887519115237305
Energy: 1.5001872408652783
Energy: 1.633099361981002
Energy: 1.4486843578419795
Energy: 1.3950405207185703
Energy: 1.448684357476174

minimum gb energy = 1.1891079438107057 eV
minimum distance =  2.2946951762329 Angstroms
sigma value = 7


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

Energy: 2.223429670296802
Energy: 1.523930016713435
Energy: 1.5737011339255382
Energy: 1.5239300167432563
Energy: 1.2247539580672322
Energy: 1.4132118485689547
Energy: 1.6232263959871442
Energy: 1.4132118481494604
Energy: 1.1954054842461215
Energy: 1.2107479564195032
Energy: 1.383757858146744
Energy: 1.2107479564219918
Energy: 1.2087437775200156
Energy: 1.1972377432327037
Energy: 1.662091092494618
Energy: 1.1972377432385097
Energy: 1.2184860768237318
Energy: 1.2204410341930536
Energy: 1.500499040617336
Energy: 1.2204410341930536
Energy: 1.3242574133246445
Energy: 1.2226441995084978
Energy: 1.4975670854760588
Energy: 1.2226441995043509
Energy: 1.6330565539205721
Energy: 1.2152854773085748
Energy: 1.318217388190218
Energy: 1.215285477312722
Energy: 1.6506919060539202
Energy: 1.2171249774067732
Energy: 1.2328268028404559
Energy: 1.217124977408432
Energy: 1.6530027520358772
Energy: 1.2107920376242438
Energy: 1.2358809154603914
Energy: 1.2107920376076555
Energy: 1.5268873963863396
Energy: 1.498355777494604
Energy: 1.2040202690261552
Energy: 1.498355777494604
Energy: 1.6229995825204016
Energy: 1.366501207136409
Energy: 1.671820775917906
Energy: 1.3665012127730953
Energy: 1.5083143011269236
Energy: 1.3678914064314047
Energy: 1.8701818788706033
Energy: 1.3678914064347225
Energy: 1.371058053527538
Energy: 1.3799002707187444
Energy: 1.428612502778431
Energy: 1.379900270658235
Energy: 1.3772119017719393
Energy: 1.296985678724919
Energy: 1.230509851122678
Energy: 1.2969856787257488
Energy: 1.2289252089289073
Energy: 1.2934215670224092
Energy: 1.2114120806061677
Energy: 1.2934215670207507
Energy: 2.2226726253168207
Energy: 1.3666542347460013
Energy: 1.5094355095233365
Energy: 1.3666542347468307
Energy: 1.7182259017884771
Energy: 1.350300528833651
Energy: 1.61978432590193
Energy: 1.3503005288295038
Energy: 1.2045215602921655
Energy: 1.4835501275476546
Energy: 1.383329313551035
Energy: 1.4835501275783427
Energy: 1.2369271805039976
Energy: 1.2179963838912347
Energy: 1.6554062763020685
Energy: 1.2179963838895758
Energy: 1.2315618333197877
Energy: 1.217694814257419
Energy: 1.6889060323362286
Energy: 1.2176948142541018
Energy: 1.3148401060804933
Energy: 1.2157242244202333
Energy: 1.5242511134317176
Energy: 1.2157242243547097
Energy: 1.6174244219660172
Energy: 1.2215153145277025
Energy: 1.3234086453756693
Energy: 1.2215153145260436
Energy: 1.6158357087695376
Energy: 1.2227441300256372
Energy: 1.2185957460406214
Energy: 1.2227441300264665
Energy: 1.6573773719730678
Energy: 1.2006002014022952
Energy: 1.2107028366405486
Energy: 1.200600201453719
Energy: 1.5283969349506081
Energy: 1.2092720951352274
Energy: 1.1961819567361887
Energy: 1.2092720951062355
Energy: 1.512343326250778
Energy: 1.4297008381206469
Energy: 1.223715550335448
Energy: 1.429700838117329
Energy: 1.5554593573776325
Energy: 1.4970549994362747
Energy: 1.8679855221560662
Energy: 1.4970549994288478
Energy: 1.369580985426149
Energy: 1.362770072135707
Energy: 1.3726762938009816
Energy: 1.3627700721398541
Energy: 1.3924155861289742
Energy: 1.2993686338449766
Energy: 1.4048029784194462
Energy: 1.2993686338449766
Energy: 1.4348735355945665
Energy: 1.4879191096906823
Energy: 1.2302105155264402
Energy: 1.4879191096799
Energy: 1.7063833860668922
Energy: 1.352987320189941
Energy: 1.382724263247793
Energy: 1.3529873201858316

minimum gb energy = 1.1954054842461215 eV
minimum distance =  2.33100711773951 Angstroms
sigma value = 29


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

Energy: 1.1791177606985732
Energy: 1.475292565167564
Energy: 1.3853768244791977
Energy: 1.475292565128882
Energy: 1.3866254488524303
Energy: 1.1886328958717824
Energy: 1.1765683651690273
Energy: 1.1886328958658439
Energy: 1.3870087520873182
Energy: 1.4142469957832695
Energy: 1.1685309133109532
Energy: 1.4142469957860946
Energy: 1.1694866871181169
Energy: 1.4351598712074731
Energy: 1.1778901136968285
Energy: 1.4351598712227212
Energy: 1.1887497404236262
Energy: 1.1876731962234461
Energy: 1.1685548504291323
Energy: 1.1876731958809619
Energy: 1.1790064972410164
Energy: 1.2771448139159551
Energy: 1.1690619307819077
Energy: 1.277144813958585
Energy: 1.167647155689617
Energy: 1.4152432842132996
Energy: 1.3845989835585788
Energy: 1.415243284219784
Energy: 1.1777919690903182
Energy: 1.1891529263346174
Energy: 1.1674628484688574
Energy: 1.1891529261044862
Energy: 1.1676568270189958
Energy: 1.281846925352013
Energy: 1.1898824503069751
Energy: 1.2818469253542601

minimum gb energy = 1.1674628484688574 eV
minimum distance =  2.33924052254346 Angstroms
sigma value = 5


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

Energy: 1.7529840067917222
Energy: 1.383628214200507
Energy: 1.3864947129419583
Energy: 1.3836282142028573
Energy: 1.1928136023331894
Energy: 1.148144189648789
Energy: 1.433976528531323
Energy: 1.1481441896464384
Energy: 1.4118788220270897
Energy: 1.40963497291603
Energy: 1.4728118364910991
Energy: 1.4096349729152464
Energy: 1.1554914136321073
Energy: 1.4955695425891788
Energy: 1.4423275241720759
Energy: 1.4955695425891788
Energy: 1.1834726945972716
Energy: 1.1734222400166288
Energy: 1.4116584427840542
Energy: 1.1734222400158454
Energy: 1.1828287418118983
Energy: 1.1537762449560593
Energy: 1.4125728219909797
Energy: 1.1537762449560593
Energy: 1.1504036915801876
Energy: 1.1432331107686553
Energy: 1.440628667181075
Energy: 1.1432331107459346
Energy: 1.1660086863319332
Energy: 1.1462408725558322
Energy: 1.774568464664407
Energy: 1.1462408724524842
Energy: 1.2214570222076022
Energy: 1.4070706655883842
Energy: 1.6602817829955585
Energy: 1.4070706655876009
Energy: 1.4477505630690923
Energy: 1.138784099534093
Energy: 1.1397804531668243
Energy: 1.1387840995356602
Energy: 1.3780356678780352
Energy: 1.1371449685399022
Energy: 1.1414557241934709
Energy: 1.1371449685383352
Energy: 1.680621808104574
Energy: 1.1388654670356992
Energy: 1.1467458213930495
Energy: 1.1388654670364828
Energy: 1.684434452806396
Energy: 1.1417574709582696
Energy: 1.155380914669934
Energy: 1.1417574709480844
Energy: 1.1843745575018167
Energy: 1.1933812552410572
Energy: 1.4206013755733358
Energy: 1.1933812552410572
Energy: 1.1529141023753608
Energy: 1.143356101831945
Energy: 1.4205908247825445
Energy: 1.1433561018303782
Energy: 1.1724703698745125
Energy: 1.1491243185892983
Energy: 1.4627208451832001
Energy: 1.1491243185869482
Energy: 1.3990533815308521
Energy: 1.3855969541289301
Energy: 2.4243480764583643
Energy: 1.3855969541289301
Energy: 1.4338864434654337
Energy: 1.1474393353017371
Energy: 1.188574125161967
Energy: 1.1474393353017371
Energy: 1.4711096830775434
Energy: 1.4108417862912133
Energy: 1.4157778819804423
Energy: 1.4108417862919966
Energy: 1.4386480989214685
Energy: 1.2152967525501919
Energy: 1.1537153964539835
Energy: 1.2152967525219867
Energy: 1.4123792918723603
Energy: 1.152559621473945
Energy: 1.4545936647625293
Energy: 1.1525596214723783
Energy: 1.4118109442872073
Energy: 1.1778792322586287
Energy: 1.1725662509932429
Energy: 1.177879232259412
Energy: 1.4395354970998815
Energy: 1.1440517416150109
Energy: 1.1469544190983045
Energy: 1.144051741644783
Energy: 1.6903495728188518
Energy: 1.1454377265503917
Energy: 1.1516051552798936
Energy: 1.1454377265519586
Energy: 1.661843664674462
Energy: 1.4111784645616063
Energy: 1.2150881993471598
Energy: 1.4111784645616063
Energy: 1.1416315825173515
Energy: 1.1385030044658027
Energy: 1.4468513073126934
Energy: 1.1385030044987086
Energy: 1.1426104547354534
Energy: 1.1381469895670506
Energy: 1.1767569312269133
Energy: 1.1381469895678342
Energy: 1.148169438467765
Energy: 1.1363687500570017
Energy: 1.2014275884519676
Energy: 1.1363687500570017
Energy: 1.1503577957501976
Energy: 1.1417262032086695
Energy: 1.7628361698683261
Energy: 1.1417262032094526
Energy: 1.420746926825769
Energy: 1.1919123644258707
Energy: 1.188046328785555
Energy: 1.1919123644258707
Energy: 1.422516250433978
Energy: 1.1446959184278165
Energy: 1.1488988711247945
Energy: 1.1446959184403522
Energy: 1.4630508334070584
Energy: 1.1460847205903428
Energy: 1.1532568276634168
Energy: 1.1460847205958271
Energy: 1.1433407630353698
Energy: 1.1435562519976654
Energy: 1.4029707434637317
Energy: 1.1435562520070672

minimum gb energy = 1.1363687500570017 eV
minimum distance =  2.33167703629107 Angstroms
sigma value = 1


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

Energy: 1.9313071196397678
Energy: 1.3386736651368931
Energy: 1.3396448634587632
Energy: 1.338673665144476
Energy: 1.250357291772619
Energy: 1.0948494645331754
Energy: 1.4779407624937084
Energy: 1.0948494645223426
Energy: 1.4455325068749258
Energy: 1.3796345856261893
Energy: 1.4750936902067344
Energy: 1.3796345856251062
Energy: 1.0981966728291672
Energy: 1.4749244083962278
Energy: 1.5940080350994998
Energy: 1.474924408397311
Energy: 1.1229955067522284
Energy: 1.1244053756468588
Energy: 1.6233520681498677
Energy: 1.1244053755829446
Energy: 1.0959898481026906
Energy: 1.0940850832730264
Energy: 1.6486821092533124
Energy: 1.094085083275193
Energy: 1.091854694285495
Energy: 1.0916949826715445
Energy: 1.593935448898399
Energy: 1.0916949826704614
Energy: 1.0899147410605279
Energy: 1.0954467848159235
Energy: 1.9443876724763531
Energy: 1.0954467848170066
Energy: 1.28349817286068
Energy: 1.6235114444074383
Energy: 1.7851703778352637
Energy: 1.6235114444150214
Energy: 1.5160663387833997
Energy: 1.0914287094074442
Energy: 1.1229749313263953
Energy: 1.091428709410694
Energy: 1.4725665515040458
Energy: 1.0914990225331032
Energy: 1.0846727844993551
Energy: 1.0914990225341865
Energy: 1.8220716658422569
Energy: 1.0939430474567096
Energy: 1.1302508885936695
Energy: 1.0939430474707923
Energy: 1.8119706629312218
Energy: 1.09201880135346
Energy: 1.140144344738593
Energy: 1.0920188013621261
Energy: 1.1342695068720763
Energy: 1.0950528519443024
Energy: 1.451578455638518
Energy: 1.0950528521662783
Energy: 1.0899593810892203
Energy: 1.1833667967558021
Energy: 1.452029894110865
Energy: 1.1833667967558021
Energy: 1.0931090864040207
Energy: 1.09468747746271
Energy: 1.6355983680913018
Energy: 1.0946874774616266
Energy: 1.340316608394426
Energy: 1.3400680921549697
Energy: 2.4059706573938073
Energy: 1.3400680921592536
Energy: 1.0904519990825225
Energy: 1.0893399390144365
Energy: 1.441008422106061
Energy: 1.0893399390133531
Energy: 1.0882738192215302
Energy: 1.085767609758162
Energy: 1.7838865279559943
Energy: 1.085767609765745
Energy: 1.095083195298567
Energy: 1.0945355271336579
Energy: 1.9446661482453957
Energy: 1.094535527126075
Energy: 1.461397450897899
Energy: 1.380964576851905
Energy: 1.1191768590960682
Energy: 1.3809645768638215
Energy: 1.460948594650798
Energy: 1.094528916060219
Energy: 1.0925028572408644
Energy: 1.094528916060219
Energy: 1.287112152859629
Energy: 1.091402572876388
Energy: 1.093716166985584
Energy: 1.091402572875305
Energy: 1.8111292495710478
Energy: 1.0925634435339076
Energy: 1.095347700350538
Energy: 1.0925634435360743

minimum gb energy = 1.0846727844993551 eV
minimum distance =  2.31345687139685 Angstroms
sigma value = 17


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

Energy: 2.1070597243278435
Energy: 1.3292641087296344
Energy: 1.3332959053332627
Energy: 1.329264108734991
Energy: 1.2812502042526066
Energy: 1.0706212542067957
Energy: 1.346496349720315
Energy: 1.070621254210813
Energy: 1.558218725112318
Energy: 1.0755719338714993
Energy: 1.3368556909444738
Energy: 1.0755719338728384
Energy: 1.591723060008872
Energy: 1.3054587836357516
Energy: 1.3150000763956458
Energy: 1.3054587836337428
Energy: 1.0935014321348233
Energy: 1.0744568079927515
Energy: 1.7217250523085614
Energy: 1.074456807992082
Energy: 1.0804084606245743
Energy: 1.0746120413092635
Energy: 1.6602642369319018
Energy: 1.0746120413072549
Energy: 1.065167948133905
Energy: 1.0655559239841526
Energy: 1.5209052385570365
Energy: 1.065555923984822
Energy: 1.070074146766801
Energy: 1.0646779146067966
Energy: 2.110326055996494
Energy: 1.0646779146061272
Energy: 1.3460979496864949
Energy: 1.3569845214553493
Energy: 1.5663815622674948
Energy: 1.3569845214540104
Energy: 1.326558468093062
Energy: 1.1206596970771168
Energy: 1.332163695095144
Energy: 1.1206596970791252
Energy: 1.2985704675107612
Energy: 1.0698843213592202
Energy: 1.0675215640350082
Energy: 1.069884321361229
Energy: 1.7020892176788216
Energy: 1.0719805576130719
Energy: 1.3538141987279193
Energy: 1.0719805576130719
Energy: 1.7537872033415107
Energy: 1.066407554805652
Energy: 1.0900264930291823
Energy: 1.0664075548069911
Energy: 1.2898988143214867
Energy: 1.0663329513692037
Energy: 1.0696619060911032
Energy: 1.0663329513698123
Energy: 1.570521099297944
Energy: 1.0688588805384767
Energy: 1.0767813326202151
Energy: 1.0688588805357984
Energy: 1.0613141089090132
Energy: 1.3663625965270552
Energy: 1.0970050822190138
Energy: 1.3663625965263855
Energy: 1.1146420548474871
Energy: 1.0724533784696837
Energy: 1.850971136866646
Energy: 1.0724533784522754
Energy: 1.0693122784450382
Energy: 1.066269713453675
Energy: 1.3468308016766393
Energy: 1.0662697134576924
Energy: 1.1099513534713557
Energy: 1.0747589799719117
Energy: 1.5169232247975517
Energy: 1.0747589799732509
Energy: 1.336153114221946
Energy: 1.3292857061034506
Energy: 2.1030975909979994
Energy: 1.329285706101442
Energy: 1.3235390230199526
Energy: 1.0705652234502063
Energy: 1.2834189331987989
Energy: 1.070565223448198
Energy: 1.3282210597409452
Energy: 1.0717598904110084
Energy: 1.5727267874134088
Energy: 1.0717598904110084
Energy: 1.318690764369376
Energy: 1.4235466569836395
Energy: 1.5764810751429195
Energy: 1.4235466569829702
Energy: 1.7315498431718628
Energy: 1.0699893683240107
Energy: 1.089163407486036
Energy: 1.0699893683179846
Energy: 1.7032762635796483
Energy: 1.0672204059559662
Energy: 1.0797214550665328
Energy: 1.0672204059579748
Energy: 1.355746179711554
Energy: 1.063930481460437
Energy: 1.068136088604131
Energy: 1.0639304814637236
Energy: 2.110853036970219
Energy: 1.0683545321493797
Energy: 1.0778170606317696
Energy: 1.0683545321507188
Energy: 1.4816877220201103
Energy: 1.0657524337573943
Energy: 1.3501508218773748
Energy: 1.0657524337573943
Energy: 1.330906502288235
Energy: 1.0709678225781396
Energy: 1.327984478320535
Energy: 1.0709678225553747
Energy: 1.06908967138238
Energy: 1.0707127513832733
Energy: 1.2939225764946385
Energy: 1.0707127515412285
Energy: 1.37771821986965
Energy: 1.1036912288375351
Energy: 1.6964926885880705
Energy: 1.1036912288382048
Energy: 1.1193519346832974
Energy: 1.1007220738567347
Energy: 1.7362287134022265
Energy: 1.1007220738574046
Energy: 1.067294853128317
Energy: 1.0682025354267908
Energy: 1.2941325795717484
Energy: 1.0682025354113909
Energy: 1.0808110147231387
Energy: 1.0720515977603653
Energy: 1.5879841998055808
Energy: 1.072051597756348
Energy: 1.2881637608615515
Energy: 1.6242212321887632
Energy: 1.484759865883824
Energy: 1.624221232192111
Energy: 1.8511867305494811
Energy: 1.070775716762937
Energy: 1.110978129943723
Energy: 1.0707757167649454
Energy: 1.3453192749079321
Energy: 1.0674852915557909
Energy: 1.067721666604487
Energy: 1.0674852915537822
Energy: 1.5638353860597836
Energy: 1.0798508422136786
Energy: 1.1139516471225934
Energy: 1.0798508422136786

minimum gb energy = 1.0613141089090132 eV
minimum distance =  2.32908871449417 Angstroms
sigma value = 89


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

Energy: 2.308955485110123
Energy: 1.2400423999891002
Energy: 1.2384586349610287
Energy: 1.2400424000661443
Energy: 1.008328217279545
Energy: 1.2768961171906652
Energy: 1.0053941918700788
Energy: 1.2768961171959208
Energy: 0.9523945067836403
Energy: 1.2779817239246902
Energy: 1.0077379590363462
Energy: 1.2779817239211864
Energy: 0.9593708178360736
Energy: 1.055020410968744
Energy: 1.008291302802707
Energy: 1.0550204109652406
Energy: 1.0019777124619091
Energy: 1.272636505150209
Energy: 0.9817945809572859
Energy: 1.2726365051554647
Energy: 0.9621345398114338
Energy: 1.2783348511682664
Energy: 0.985942158858963
Energy: 1.2783348511717705
Energy: 0.9615448688573445
Energy: 0.9589719091877075
Energy: 1.004186151159928
Energy: 0.9589719091929633
Energy: 1.2377418050395106
Energy: 0.9646677676553194
Energy: 0.9558970190279712
Energy: 0.9646677676693347
Energy: 0.9757591848214503
Energy: 1.27847669199338
Energy: 0.9564468794795188
Energy: 1.2784766919864123
Energy: 1.6390750398815201
Energy: 1.2791018067990425
Energy: 1.0051678836843312
Energy: 1.2791018068007942
Energy: 1.0103822878139836
Energy: 1.0521543687191128
Energy: 0.9570115466027969
Energy: 1.0521543687261206
Energy: 0.9866810951356806
Energy: 1.2788273963928214
Energy: 1.0028879240163455
Energy: 1.2788273963910695
Energy: 0.9856181769466204
Energy: 0.9632320848313548
Energy: 0.9631033401539899
Energy: 0.9632320848190914
Energy: 1.0060927181899733
Energy: 0.959463189414133
Energy: 0.9616426069610093
Energy: 0.9594631894281482
Energy: 0.9565050913705926
Energy: 0.9618697827559798
Energy: 0.9657709543426194
Energy: 0.9618697827577318

minimum gb energy = 0.9523945067836403 eV
minimum distance =  2.32984973760124 Angstroms
sigma value = 13


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

Energy: 2.008581202418536
Energy: 1.1819587779744158
Energy: 1.185955046933576
Energy: 1.1819587779340297
Energy: 1.200133445311566
Energy: 0.908648252614438
Energy: 1.1814810741034343
Energy: 0.9086482526129693
Energy: 1.3455223386560482
Energy: 0.9079832160696496
Energy: 1.1797536361517684
Energy: 0.9079832160996889
Energy: 1.450643532997543
Energy: 1.1376480070837844
Energy: 1.185085329945996
Energy: 1.1376480070889243
Energy: 1.162696027920819
Energy: 1.2471595400111404
Energy: 1.6102978178390772
Energy: 1.2471595400030633
Energy: 1.1811280589304585
Energy: 0.9080472317422199
Energy: 1.604636189547898
Energy: 0.9080472317363456
Energy: 1.1803201844508249
Energy: 0.906657121670822
Energy: 1.2022797385728872
Energy: 0.9066571216590733
Energy: 1.1986800499325174
Energy: 0.9167372467951991
Energy: 2.26042494522306
Energy: 0.9167372467929962
Energy: 0.9162675212708788
Energy: 0.911971179699713
Energy: 1.1733858832229038
Energy: 0.9119711796975101
Energy: 0.9097720575238837
Energy: 0.9062567515766499
Energy: 1.1746200972455505
Energy: 0.9062567515817898
Energy: 0.9219073178160382
Energy: 0.9109091574037077
Energy: 2.014137512033619
Energy: 0.9109091574176593
Energy: 1.597138779573133
Energy: 0.9069675430583772
Energy: 1.1749081329315438
Energy: 0.90696754305544
Energy: 1.6109053644493834
Energy: 1.2867321772954068
Energy: 1.1913065383443981
Energy: 1.2867321773020155
Energy: 1.2076747620210446
Energy: 1.2483664366531944
Energy: 1.4559793653547803
Energy: 1.2483664366568659
Energy: 1.59164784296658
Energy: 0.9088885781493986
Energy: 0.9067444579939581
Energy: 0.9088885781449928
Energy: 1.5856621763971714
Energy: 0.9083086979937539
Energy: 0.9353823165602128
Energy: 0.9083086979930197
Energy: 1.1978282424200462
Energy: 0.9104068762302113
Energy: 0.9101243877571608
Energy: 0.9104068761949654
Energy: 2.0073188203619132
Energy: 0.9111405616647898
Energy: 1.1836484635589526
Energy: 0.9111405616662585
Energy: 1.3960031577877912
Energy: 0.9107343091232023
Energy: 1.1730892345365156
Energy: 0.9107343091195309
Energy: 1.58090909222125
Energy: 0.9089794456570772
Energy: 1.181371518123921
Energy: 0.9089794456563428
Energy: 1.4489637065064354
Energy: 0.9124016811249717
Energy: 1.185547320412723
Energy: 0.9124016811587491
Energy: 1.1814037219157956
Energy: 1.2429997722644677
Energy: 1.6042387212861875
Energy: 1.2429997722666704
Energy: 1.1715646319530986
Energy: 0.9096162112580407
Energy: 1.6116470498006423
Energy: 0.9096162112573064
Energy: 0.9023804765942021
Energy: 0.9074023163886138
Energy: 1.2060767285755334
Energy: 0.9074023163812709
Energy: 0.9182619044766619
Energy: 0.9091363227784989
Energy: 1.583656596013393
Energy: 0.9091363227829046
Energy: 0.9501822777908061
Energy: 0.929662974930904
Energy: 1.5817348342016082
Energy: 0.9296629748898504
Energy: 0.9064020061984911
Energy: 0.9056586793947848
Energy: 1.1735651364292023
Energy: 0.9056586793823019
Energy: 0.9174404752666846
Energy: 0.911335789168788
Energy: 2.012258851463907
Energy: 0.9113357891636479
Energy: 1.220472138823836
Energy: 1.231619597896714
Energy: 1.3981559271416044
Energy: 1.2316195979040567
Energy: 1.176386292816507
Energy: 0.9622728964597561
Energy: 1.1905701645893612
Energy: 0.9622728964597561
Energy: 1.1755060032288478
Energy: 0.9663938121458089
Energy: 1.453506239971913
Energy: 0.9663938121472775
Energy: 1.5875395898726086
Energy: 1.232281277010138
Energy: 1.1601445593888027
Energy: 1.232281277012341
Energy: 1.5893144393078278
Energy: 0.9105373494080345
Energy: 0.9190942567264364
Energy: 0.9105373494087687
Energy: 1.3500854343749713
Energy: 0.9060210280059183
Energy: 0.9073789943766045
Energy: 0.9060210280536474
Energy: 1.3790380646443652
Energy: 0.907944092061491
Energy: 0.9129132865225332
Energy: 0.907944092061491

minimum gb energy = 0.9023804765942021 eV
minimum distance =  2.33333400809802 Angstroms
sigma value = 37


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

Energy: 1.7385892810970158
Energy: 1.0983017470784446
Energy: 1.0960956060707487
Energy: 1.098301747075918
Energy: 0.8490729676393548
Energy: 0.8130946368371629
Energy: 1.236739880494466
Energy: 0.8130946361565188
Energy: 1.640501332752568
Energy: 1.2817467366926145
Energy: 1.2331561933223971
Energy: 1.2817467366825368
Energy: 1.7522980300596502
Energy: 1.2804263649093948
Energy: 0.8542893977019814
Energy: 1.2804263651442869
Energy: 0.8389639170851634
Energy: 0.9162702583341409
Energy: 1.2264085089922256
Energy: 0.9162702583467741
Energy: 1.0466948949605186
Energy: 1.2831394930163127
Energy: 0.8291894667207435
Energy: 1.2831394930289461
Energy: 0.8115551986937529
Energy: 0.8151072442385711
Energy: 0.8489421268775924
Energy: 0.8151072442423609
Energy: 1.0894542000582275
Energy: 0.8163170230594923
Energy: 2.1846537317366628
Energy: 0.8163170230582291
Energy: 0.8142631015694646
Energy: 0.8132041533728741
Energy: 1.6390437040087826
Energy: 0.8132041533779274
Energy: 0.8142198417837956
Energy: 0.8156363188468568
Energy: 1.0347921335894263
Energy: 0.8156363188253803
Energy: 1.096095605675501
Energy: 1.098301747075918
Energy: 1.7385892811008055
Energy: 1.098301747075918
Energy: 1.2367398804982561
Energy: 0.8130946356438392
Energy: 0.8490729683149169
Energy: 0.8130946358938625
Energy: 1.2331561934082742
Energy: 1.2817467366749569
Energy: 1.6405013327462512
Energy: 1.2817467366800102
Energy: 0.8542894084266195
Energy: 1.280426346355627
Energy: 1.7522980300558606
Energy: 1.2804263454994955
Energy: 1.2264085089909624
Energy: 0.9162702583417208
Energy: 0.8389639170839
Energy: 0.9162702583303509
Energy: 0.8291888409841149
Energy: 1.2831394930150495
Energy: 0.816555798536428
Energy: 1.283139493020103
Energy: 0.8489420484499407
Energy: 0.8151072442322544
Energy: 0.8115551986937529
Energy: 0.8151072442373077
Energy: 2.1846537317303465
Energy: 0.8163170230998901
Energy: 1.0894542000519112
Energy: 0.8163170231011533
Energy: 1.6390437040643402
Energy: 0.8132041533539243
Energy: 0.8142631015580947
Energy: 0.8132041533438176
Energy: 0.8070401098556268
Energy: 0.8156363188405403
Energy: 0.8142198417850588
Energy: 0.8156363188493835

minimum gb energy = 0.8070401098556268 eV
minimum distance =  2.33208032048111 Angstroms
sigma value = 25


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

Energy: 2.099660730665728
Energy: 0.994266210684637
Energy: 0.9938775116972245
Energy: 0.994266210684637
Energy: 1.3845067089770957
Energy: 0.718099322245229
Energy: 1.054226770865661
Energy: 0.7180993222383236
Energy: 1.8531330345090158
Energy: 0.7171314819677076
Energy: 1.052824972043271
Energy: 0.717131481968694
Energy: 1.4182549421637265
Energy: 1.170450135907515
Energy: 1.049237832307768
Energy: 1.170450136574068
Energy: 1.3814722196376696
Energy: 0.7967695125409426
Energy: 1.3862956253827827
Energy: 0.7967695125399561
Energy: 1.3728291074662917
Energy: 0.7921540956178793
Energy: 1.3843961458158585
Energy: 0.7921540956168929
Energy: 1.3803051130078818
Energy: 1.1099110646910686
Energy: 1.381027318065272
Energy: 1.1099110646851498
Energy: 1.0491208845483424
Energy: 0.7281708751282373
Energy: 1.757681483310614
Energy: 0.7281708751252778
Energy: 1.0524042470640023
Energy: 0.7140373362699266
Energy: 1.383182328919588
Energy: 0.7140373362630211
Energy: 1.0519671798579775
Energy: 0.7173021945329264
Energy: 1.382990502970421
Energy: 0.7173021945368724
Energy: 0.993865109250009
Energy: 0.9939959471148732
Energy: 1.7558343366675675
Energy: 0.9939959471138865
Energy: 0.7193433104548217
Energy: 0.7170474791303654
Energy: 1.3837181936535805
Energy: 0.7170474791303654
Energy: 0.7167785723726683
Energy: 0.719624951073686
Energy: 1.3678736059649064
Energy: 0.7196249510490238
Energy: 0.9914506777849741
Energy: 0.7305968452808633
Energy: 2.1003563803088925
Energy: 0.7305968452818496
Energy: 1.0526983867779582
Energy: 0.7149726808064576
Energy: 1.3807961814303884
Energy: 0.7149726808143495
Energy: 1.0517221496704119
Energy: 0.7156475895713169
Energy: 1.3723830001034913
Energy: 0.7156475895674158
Energy: 1.051722326328522
Energy: 0.7185347330372411
Energy: 1.8473853402702558
Energy: 0.7185347330184978
Energy: 1.0648971062232
Energy: 1.6082992424806588
Energy: 1.3727170110132076
Energy: 1.6082992424806588
Energy: 1.385972874226209
Energy: 0.792335232556311
Energy: 1.3793236745356556
Energy: 0.7923352325572975
Energy: 1.3815132619149548
Energy: 1.1113832108280404
Energy: 1.3747177752353181
Energy: 1.111383210829027
Energy: 1.758045678560563
Energy: 0.7225860281696732
Energy: 1.0489183349522941
Energy: 0.7225860281686866
Energy: 1.381399440602153
Energy: 0.7138619229535551
Energy: 0.7125041130624828
Energy: 0.7138619229644065
Energy: 1.3728715949070966
Energy: 0.7180277134253236
Energy: 1.0504606177990576
Energy: 0.7180277134144721
Energy: 1.755719790462759
Energy: 0.9901483521854202
Energy: 1.0252006804202534
Energy: 0.9901483521883797
Energy: 1.3830920202360688
Energy: 0.718698001229367
Energy: 0.7165503391543322
Energy: 0.7186980012047495
Energy: 1.9467346888775203
Energy: 0.7172036292152638
Energy: 0.7219731796212396
Energy: 0.7172036292192097

minimum gb energy = 0.7125041130624828 eV
minimum distance =  2.33346514650288 Angstroms
sigma value = 41


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

Energy: 2.325272279974326
Energy: 0.9183418075843142
Energy: 1.174258597671634
Energy: 0.9183418075851228
Energy: 1.6716753548017727
Energy: 0.644105760304893
Energy: 0.9225867192142491
Energy: 0.6441057603065105
Energy: 1.667705825467623
Energy: 0.6431135546600295
Energy: 0.9229860242622171
Energy: 0.6431135548783212
Energy: 1.756148676473987
Energy: 1.0616786140711791
Energy: 1.3508360662023207
Energy: 1.0616786140703705
Energy: 1.6710664696692858
Energy: 0.6445440236855526
Energy: 1.4379592115759616
Energy: 0.6445440236782738
Energy: 1.6636869122853162
Energy: 1.0446149956967774
Energy: 1.434068330276129
Energy: 1.044614995698395
Energy: 1.66631310299745
Energy: 0.7029454550757103
Energy: 1.4352571747851954
Energy: 0.7029454550732841
Energy: 1.4356289689845532
Energy: 1.5860263389956557
Energy: 1.4832389491150262
Energy: 1.5860263389988907
Energy: 1.196896474650782
Energy: 0.7042249348677901
Energy: 1.6401054714612222
Energy: 0.704224934871834
Energy: 1.1927691142745498
Energy: 0.6464752977137379
Energy: 1.6717663773314144
Energy: 0.6464752977153556
Energy: 0.925287206239371
Energy: 0.6462186337492303
Energy: 2.042572682027801
Energy: 0.6462186337217325
Energy: 0.9220532693222419
Energy: 0.6424115376887588
Energy: 1.6717706547042617
Energy: 0.6424115376887588
Energy: 0.9279602429772883
Energy: 0.6475043899800718
Energy: 1.6654558688099688
Energy: 0.6475043899816894
Energy: 0.9525362727384384
Energy: 0.6453449742754348
Energy: 2.0369343040650376
Energy: 0.6453449742802873
Energy: 0.6417378529505149
Energy: 0.6425348521785607
Energy: 1.6715289149955557
Energy: 0.6425348521785607
Energy: 0.6477068080705115
Energy: 0.6440250683010663
Energy: 2.0215073203518426
Energy: 0.644025068301875
Energy: 0.9037567126012714
Energy: 0.6455504244346094
Energy: 2.143144689764741
Energy: 0.6455504244378445
Energy: 0.9257069407740477
Energy: 0.9339779013186875
Energy: 1.6707542526175772
Energy: 0.9339779013518467
Energy: 0.9251002663597003
Energy: 0.645163994884046
Energy: 1.667501346843096
Energy: 0.6451639948824286
Energy: 1.3560011818476418
Energy: 0.6432172328958594
Energy: 1.6624420531272444
Energy: 0.643217232894242
Energy: 1.4880113634602854
Energy: 1.045713342691317
Energy: 1.6712060069101795
Energy: 1.045713342691317
Energy: 1.4314435442354803
Energy: 1.0460472201653463
Energy: 1.6742397376491787
Energy: 1.0460472201653463
Energy: 1.6417327742013352
Energy: 0.7016424585897357
Energy: 1.638345149238939
Energy: 0.7016424585856919
Energy: 1.4836552461906218
Energy: 0.6475587904243909
Energy: 1.4311510641087106
Energy: 0.6475587905117369
Energy: 1.6716783621471614
Energy: 0.7063542655608505
Energy: 1.2103119548211223
Energy: 0.7063542651994819
Energy: 1.8521875038913806
Energy: 0.6479534969024595
Energy: 1.3687884762939801
Energy: 0.647953510951647
Energy: 1.9084643172649773
Energy: 0.6446350083092833
Energy: 0.9226930343837628
Energy: 0.644635008310092
Energy: 1.6705804087177227
Energy: 1.0036488343981467
Energy: 0.9300275680673735
Energy: 1.003648834397338
Energy: 1.9012556671430656
Energy: 0.6470630487105364
Energy: 0.9212041340354068
Energy: 0.6470630487210501
Energy: 1.9018364315404246
Energy: 0.6439488095895698
Energy: 0.6646369458014955
Energy: 0.6439488095903786
Energy: 1.6713600364014185
Energy: 0.6432744074304113
Energy: 0.6413903553643525
Energy: 0.6432744074441602
Energy: 2.1440587104003583
Energy: 0.6456940439076922
Energy: 0.9226227985351936
Energy: 0.6456940439367341

minimum gb energy = 0.6413903553643525 eV
minimum distance =  2.33160437665426 Angstroms
sigma value = 15


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

Energy: 1.9882361241673816
Energy: 1.1237841494523182
Energy: 1.1220991244082088
Energy: 1.123784149451633
Energy: 2.1051908809809583
Energy: 0.5846827584348467
Energy: 0.8344590298520527
Energy: 0.5846827584492346
Energy: 1.9214231928316952
Energy: 0.5861518055681751
Energy: 0.8240133808028428
Energy: 0.5861518056325155
Energy: 1.9933610851093113
Energy: 1.235909031288285
Energy: 1.2697923808762335
Energy: 1.2359090312875998
Energy: 1.9613486835957084
Energy: 0.5871878467645524
Energy: 1.2694993091546127
Energy: 0.5871878468720559
Energy: 1.8336296627390878
Energy: 0.5877825685946152
Energy: 1.261033583693585
Energy: 0.5877825686151691
Energy: 1.4652895148511815
Energy: 0.5887245118170069
Energy: 1.4484145678677955
Energy: 0.5887245180537745
Energy: 1.669492076657653
Energy: 1.4440122958631705
Energy: 1.2878180889510036
Energy: 1.4440122958638555
Energy: 1.4659284368884984
Energy: 0.6347049052489843
Energy: 1.6652234672835315
Energy: 0.6347049052613165
Energy: 1.4637786490722744
Energy: 0.9376697161566946
Energy: 1.6326876479001715
Energy: 0.9376697161553242
Energy: 1.442908178056647
Energy: 0.5885296102292713
Energy: 1.755930907622688
Energy: 0.5885296126261786
Energy: 1.0706139418359606
Energy: 0.936522520351574
Energy: 1.9717185792301344
Energy: 0.9365225203536296
Energy: 1.2413414310056545
Energy: 0.5970309906270816
Energy: 1.977928570210417
Energy: 0.5970309906243413
Energy: 1.0090306812488723
Energy: 0.5962910201227324
Energy: 1.7529011321322878
Energy: 0.5962910201316393
Energy: 0.824176121702831
Energy: 0.5872041297136849
Energy: 2.1065203087579674
Energy: 0.587204129704093
Energy: 0.8303719419239474
Energy: 0.5971742375933681
Energy: 2.0631592339156404
Energy: 0.5971742375707586
Energy: 0.6057628096219146
Energy: 0.590138775888793
Energy: 2.0649283101630527
Energy: 0.5901387759004402
Energy: 0.581451766380155
Energy: 0.5838317268638642
Energy: 2.1628005075819794
Energy: 0.583831726862494
Energy: 0.6077253546132407
Energy: 0.59180301767559
Energy: 1.868019117562072
Energy: 0.5918030176762752
Energy: 0.8372364982481288
Energy: 0.5888319159157148
Energy: 2.162284794322431
Energy: 0.5888319159061228
Energy: 0.8202165330699557
Energy: 0.5857496732019256
Energy: 2.044491700328634
Energy: 0.5857496731957595
Energy: 1.0070009986822657
Energy: 0.5923269168113199
Energy: 1.8698222576813308
Energy: 0.5923269169188233
Energy: 1.2595778710348575
Energy: 0.5895076941760489
Energy: 1.829013021235319
Energy: 0.589507693771322
Energy: 1.2725734492000298
Energy: 0.5872259270404694
Energy: 1.8739387272264483
Energy: 0.5872259270288221
Energy: 1.4431105661892702
Energy: 0.5980889272191531
Energy: 1.517499843926168
Energy: 0.598088927665673
Energy: 1.6128075995843802
Energy: 0.9375326693866584
Energy: 1.6332209635179702
Energy: 0.937532669383918
Energy: 1.2632263905393641
Energy: 1.2637312179163065
Energy: 1.6271012649100138
Energy: 1.2637312179169917
Energy: 1.6693826264746798
Energy: 1.4414411976175123
Energy: 1.5206513736180276
Energy: 1.4414411976161419
Energy: 1.669502290301499
Energy: 0.589142205159622
Energy: 1.5868782771063972
Energy: 0.5891422053322134
Energy: 1.6652432185783077
Energy: 0.936483837092592
Energy: 1.2625707854143757
Energy: 0.936483837092592
Energy: 1.9183947699235664
Energy: 0.5877223283023826
Energy: 1.0639924337232973
Energy: 0.5877223283291027
Energy: 1.6685860534574355
Energy: 0.8453334039178493
Energy: 1.267237957962103
Energy: 0.8453334039171642
Energy: 2.016278776380196
Energy: 0.5885735556159247
Energy: 0.8269505153822894
Energy: 0.5885735556248315
Energy: 2.1027731550153175
Energy: 0.5870496865583673
Energy: 0.8275885176868739
Energy: 0.5870496865693295
Energy: 2.232221668811887
Energy: 1.1254767348472905
Energy: 1.1244151377050438
Energy: 1.1254767348431798
Energy: 2.15658983883223
Energy: 0.5853093433403174
Energy: 0.5974528656700036
Energy: 0.5853093433423728
Energy: 2.0192860221729654
Energy: 0.5852993016120908
Energy: 0.5984761392241025
Energy: 0.5852993016120908

minimum gb energy = 0.581451766380155 eV
minimum distance =  2.32212981667908 Angstroms
sigma value = 85


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

Energy: 2.1499737378525388
Energy: 1.0774071764815536
Energy: 1.0778629667159276
Energy: 1.0774071764839306
Energy: 1.9037449617886337
Energy: 0.5170724039082636
Energy: 0.7368017188556639
Energy: 0.5170724039082636
Energy: 1.9349742150280702
Energy: 0.5162462645566874
Energy: 0.7266658906656503
Energy: 0.5162462645572816
Energy: 1.7290848097834584
Energy: 0.795289814420188
Energy: 1.1943190611679775
Energy: 0.7952898144350165
Energy: 1.904492609746401
Energy: 0.5156326491109381
Energy: 1.1213749151111756
Energy: 0.5156326491115323
Energy: 1.6290359056519947
Energy: 0.5152270933979326
Energy: 1.1114017823221216
Energy: 0.5152270933860483
Energy: 1.6270063239268244
Energy: 0.832909359672034
Energy: 1.4644510490630096
Energy: 0.8329093596714398
Energy: 1.8763158449176138
Energy: 1.2823145220421697
Energy: 1.1276588634030946
Energy: 1.282314522040981
Energy: 1.633139429122756
Energy: 0.8648068281575507
Energy: 1.4631644254327032
Energy: 0.8648068281575507
Energy: 1.6331667743146876
Energy: 1.1254798021346928
Energy: 1.6989903554683186
Energy: 1.1254798021388521
Energy: 1.7231140206826456
Energy: 0.8329087390649348
Energy: 1.5353022950009498
Energy: 0.8329087390619636
Energy: 1.2806861332431085
Energy: 0.8629442751620778
Energy: 1.727652839204693
Energy: 0.862944275162672
Energy: 1.4274735153092706
Energy: 0.8323593844348917
Energy: 1.7766409847093403
Energy: 0.8323593844348917
Energy: 1.4503566274262276
Energy: 0.516698139259884
Energy: 1.5260210649799058
Energy: 0.5166981390923687
Energy: 0.9311554829387267
Energy: 0.5158585923423702
Energy: 1.9034406482271378
Energy: 0.515858592344747
Energy: 1.0908205808820162
Energy: 0.5156124389564226
Energy: 1.7973018665699172
Energy: 0.5156124389534515
Energy: 0.7239120862042866
Energy: 0.5187675918431793
Energy: 1.796228704178819
Energy: 0.5187675918158453
Energy: 0.7246262041453678
Energy: 0.5155096024598199
Energy: 1.9031042500732904
Energy: 0.5155096024586316
Energy: 0.7280164370256472
Energy: 0.5192439686981721
Energy: 1.916030759439555
Energy: 0.5192439686993605
Energy: 0.5162064444067134
Energy: 0.5294315557553942
Energy: 2.040411441834152
Energy: 0.5294315557553942
Energy: 0.5155814826730731
Energy: 0.5159691041495013
Energy: 1.9032481818850202
Energy: 0.5159691041495013
Energy: 0.5156099303839516
Energy: 0.5189369208945613
Energy: 1.9666801591040108
Energy: 0.5189369208945613
Energy: 0.7328226764096426
Energy: 0.5288733346845504
Energy: 1.9969043393718913
Energy: 0.528873334683956
Energy: 0.7263843858311255
Energy: 0.5153138741550988
Energy: 1.9039302494817045
Energy: 0.5153138741533161
Energy: 1.202642251899363
Energy: 0.7971659014586091
Energy: 1.7293995674841212
Energy: 0.7971659014580148
Energy: 1.1147893728828875
Energy: 0.5169791292882063
Energy: 1.9030731738803275
Energy: 0.5169791292840737
Energy: 1.1190271601804558
Energy: 0.5152587537489508
Energy: 1.899385106208514
Energy: 0.5152587537554871
Energy: 1.4681479377156532
Energy: 0.9671622967329068
Energy: 1.7375413650423337
Energy: 0.9671622967323126
Energy: 1.4632934599292533
Energy: 0.833188145859892
Energy: 1.8848584335615932
Energy: 0.8331881458515729
Energy: 1.458869958137933
Energy: 1.1496494465711282
Energy: 1.6072598629171702
Energy: 1.1496494465693456
Energy: 1.7358386967024204
Energy: 0.8327605751258255
Energy: 1.268142268097622
Energy: 0.8327605751258255
Energy: 1.4543791363429992
Energy: 0.8315132881370919
Energy: 1.7343104113931709
Energy: 0.8315132881382805
Energy: 1.7403594462917207
Energy: 0.8490296953150678
Energy: 1.2842979188812351
Energy: 0.8490296953370268
Energy: 1.8841450644146442
Energy: 0.8537718121669783
Energy: 1.2914487105556225
Energy: 0.8537718121586862
Energy: 1.5274886630436932
Energy: 0.9666738923479681
Energy: 1.4582380307879415
Energy: 0.9666738923188785
Energy: 1.9033491476955486
Energy: 0.8335737311273002
Energy: 1.11921938962957
Energy: 0.8335737311273002
Energy: 1.7559977746056126
Energy: 0.5161948425590508
Energy: 1.0931149908652944
Energy: 0.5161948424836391
Energy: 1.9437442018311868
Energy: 0.5168433640958042
Energy: 1.1992539011714438
Energy: 0.5168433641397493
Energy: 1.9034500650608404
Energy: 0.5145159550028995
Energy: 0.7248307994658759
Energy: 0.5145159550017111
Energy: 2.0005761686281067
Energy: 0.517938447599758
Energy: 0.7363179551026475
Energy: 0.5179384476003521
Energy: 1.7864080714837902
Energy: 0.5200629123530671
Energy: 0.5252556615707972
Energy: 0.5200629123536614
Energy: 1.903146248812412
Energy: 0.5150849548498461
Energy: 0.5147618314301503
Energy: 0.5150849548504404
Energy: 1.9641255928701098
Energy: 0.5200399231669863
Energy: 0.516881721082438
Energy: 0.5200399231681748

minimum gb energy = 0.5145159550017111 eV
minimum distance =  2.32548617255154 Angstroms
sigma value = 113


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

Energy: 0.019773565041433832
Energy: 0.42365057795031724
Energy: 1.721735199640833
Energy: 0.42365057795077404
Energy: 1.3661527095124106
Energy: 0.10450765626388465
Energy: 1.3676153303017722
Energy: 0.10450765626479826
Energy: 0.020574558303054383
Energy: 0.10459685976121806
Energy: 1.3653735698218152
Energy: 0.10459685976076126
Energy: 0.02149369030769539
Energy: 0.10405453225036995
Energy: 1.7222235783354933
Energy: 0.10405453224859351
Energy: 1.368081646607733
Energy: 0.10449425481136483
Energy: 1.3648612616909999
Energy: 0.10449425480958838
Energy: 0.027451406921975126
Energy: 0.10377986339047712
Energy: 1.3639023399134627
Energy: 0.10377986339139073

minimum gb energy = 0.019773565041433832 eV
minimum distance =  2.48505221265235 Angstroms
sigma value = 1