Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_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=3.608429037034512
cohesive_energy=4.255447061354489
mass=55.845
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: 0.016505479960840248
Energy: 0.01735759794651242
Energy: 0.26399397202269287
Energy: 0.01735759794651242
Energy: 0.01735759794651242
Energy: 1.2910268541233987
Energy: 0.01735759794651242
Energy: 1.2910268541233987
Energy: 0.26399397202269287
Energy: 0.01735759794651242
Energy: 0.016505479960840248
Energy: 0.01735759794651242
Energy: 0.01735759794651242
Energy: 1.2910268541233987
Energy: 0.017357597945882913
Energy: 1.2910268541233987

minimum gb energy = 0.016505479960840248 eV
minimum distance =  2.49143572356685 Angstroms
sigma value = 1


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

Energy: 1.138761138743042
Energy: 1.1642078060182215
Energy: 0.9877505027761919
Energy: 1.1642078060174579
Energy: 1.0441590413692545
Energy: 1.1234018104848105
Energy: 1.045020210374045
Energy: 1.1234018104855736
Energy: 0.9402128389943658
Energy: 1.1501590398559531
Energy: 1.1007524990756523
Energy: 1.1501590398559531
Energy: 1.0152630492159458
Energy: 1.1777087285127132
Energy: 1.033202744218421
Energy: 1.1777087285127132
Energy: 1.0466838937964758
Energy: 1.1693227612012846
Energy: 1.0444824155480104
Energy: 1.1693227612012846
Energy: 0.9752760048482266
Energy: 1.3353687708512207
Energy: 1.002993095095204
Energy: 1.3353687708512207
Energy: 1.0760265225192525
Energy: 1.14600615361197
Energy: 0.9766535984170474
Energy: 1.1460061536127333
Energy: 0.8875066663294404
Energy: 1.1716354374956475
Energy: 0.9776605650849841
Energy: 1.1716354374971742
Energy: 1.0329612939003092
Energy: 1.3475748807631103
Energy: 1.0286942586122203
Energy: 1.347574880645608
Energy: 0.9913899716690526
Energy: 1.149006992322187
Energy: 0.8676392750834967
Energy: 1.1490069923214232
Energy: 1.0377056332199763
Energy: 1.1190578636836306
Energy: 1.0332057397757923
Energy: 1.1190578636828672
Energy: 0.9913455713872211
Energy: 1.1716234739496811
Energy: 1.0135727459233836
Energy: 1.1716234739496811
Energy: 1.0433722660704512
Energy: 1.1451336087611912
Energy: 1.0756339905851229
Energy: 1.1451336087611912
Energy: 1.0698982887638344
Energy: 1.1559946448430005
Energy: 1.0148407975775295
Energy: 1.1559946448430005
Energy: 1.0534488914260258
Energy: 1.1647795082428674
Energy: 1.0326853586048854
Energy: 1.1647795082428674
Energy: 1.0579143462808729
Energy: 1.1682635970511481
Energy: 1.0501718863647935
Energy: 1.168263597050385
Energy: 1.1011256427173073
Energy: 1.1500437921200437
Energy: 0.950755866397404
Energy: 1.1500437921200437
Energy: 1.0454232621789696
Energy: 1.1041925624152336
Energy: 1.0438057784546961
Energy: 1.1041925624152336
Energy: 0.8891203149351378
Energy: 1.168935452664414
Energy: 1.0156333019665817
Energy: 1.168935452664414
Energy: 1.053992674712978
Energy: 1.286288286923809
Energy: 1.0351489316864226
Energy: 1.2862882869230456
Energy: 0.9904393818952382
Energy: 1.1501531267077385
Energy: 0.8666381396319511
Energy: 1.1501531267077385
Energy: 1.0336736489619547
Energy: 1.299717522016573
Energy: 1.0232219271577037
Energy: 1.2997175220173367
Energy: 1.0266383292150363
Energy: 1.1692272494018436
Energy: 0.9537905513376381
Energy: 1.169227249402607
Energy: 1.0113113039527164
Energy: 1.1478211691504814
Energy: 0.9753245512839049
Energy: 1.1478211691504814
Energy: 0.9766154148723472
Energy: 1.3336487745859138
Energy: 1.0758994043155843
Energy: 1.3336487745859138
Energy: 1.0763745549333346
Energy: 1.1720426116935347
Energy: 0.9581117559484053
Energy: 1.1720426116935347
Energy: 1.0219238485068534
Energy: 1.3432921866461716
Energy: 1.0328954081004316
Energy: 1.343292186645408
Energy: 0.9430852301803581
Energy: 1.1467195923132891
Energy: 1.0930767520887585
Energy: 1.1467195923140527
Energy: 1.0427983478807035
Energy: 1.1194433631703957
Energy: 1.0368217759292013
Energy: 1.1194433631703957
Energy: 1.0566694224888342
Energy: 1.1654121821624441
Energy: 0.9910515537487713
Energy: 1.1654121821624441
Energy: 1.0476551121382167
Energy: 1.1539859138028785
Energy: 1.0434670748437733
Energy: 1.1539859138028785
Energy: 1.0149656589025504
Energy: 1.1467285563704586
Energy: 1.0698177733472503
Energy: 1.1467285563696952
Energy: 1.046591769251395
Energy: 1.1801238780462784
Energy: 1.036439777592091
Energy: 1.1801238780462784

minimum gb energy = 0.8666381396319511 eV
minimum distance =  2.28049528880585 Angstroms
sigma value = 1


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

Energy: 1.2100080021006425
Energy: 1.2547111862272604
Energy: 1.045926791767353
Energy: 1.2547111862255196
Energy: 1.095934937175379
Energy: 1.199362514584767
Energy: 1.095736793037053
Energy: 1.1993625145838964
Energy: 0.9987270273631095
Energy: 1.2572519489255352
Energy: 1.0864869920629083
Energy: 1.257251948929017
Energy: 1.0776609998072317
Energy: 1.169158386567949
Energy: 1.0168776757649833
Energy: 1.1691583865688193
Energy: 1.0779660931081352
Energy: 1.2313942117478425
Energy: 1.0594678717247654
Energy: 1.2313942117487129
Energy: 1.0942531406880858
Energy: 1.2246362011221443
Energy: 1.087180394736159
Energy: 1.2246362011221443
Energy: 1.087877860437438
Energy: 1.0885211205017709
Energy: 1.016853811256402
Energy: 1.0885211205156986
Energy: 0.91186270489133
Energy: 1.256810923235697
Energy: 1.0408911678882367
Energy: 1.2568109232330855
Energy: 1.0848644699784102
Energy: 1.724774798045644
Energy: 1.105353104818006
Energy: 1.7247747980465142
Energy: 1.0931679119831113
Energy: 1.257002012008728
Energy: 0.9009263987927738
Energy: 1.257002012008728
Energy: 1.087991871925098
Energy: 1.177654501863358
Energy: 1.0966842040412281
Energy: 1.1776545018650988
Energy: 1.0010723926140075
Energy: 1.240156266443028
Energy: 1.1514651716946793
Energy: 1.240156266444769
Energy: 1.1154204063987319
Energy: 1.2246459076633958
Energy: 1.0758818696683887
Energy: 1.224645907666007
Energy: 1.1157956267395277
Energy: 1.2249454654322802
Energy: 1.0136668196710736
Energy: 1.2249454654331504
Energy: 1.000897040046665
Energy: 1.2402909807290616
Energy: 1.0862716526277472
Energy: 1.24029098072558
Energy: 1.0879908808638825
Energy: 1.1776251793539214
Energy: 1.0966067355837041
Energy: 1.17762517935131
Energy: 1.093142294711722
Energy: 1.2570247586365368
Energy: 0.9381027697164959
Energy: 1.2570247586365368
Energy: 1.084867844393141
Energy: 1.7247975192618399
Energy: 1.1051964988881176
Energy: 1.7247975192618399
Energy: 0.9119874874433013
Energy: 1.256805136717316
Energy: 1.0176631910734166
Energy: 1.2568051367216684
Energy: 1.0877991154049051
Energy: 1.0886724302703585
Energy: 1.028931994092223
Energy: 1.0886724302686175
Energy: 1.0942125441985016
Energy: 1.2302951856747564
Energy: 0.9881805396201886
Energy: 1.2302951856738862
Energy: 1.0780123470891159
Energy: 1.226170335211488
Energy: 1.0829969701609592
Energy: 1.2261703352097473
Energy: 1.0776038316674406
Energy: 1.1687170024027942
Energy: 1.0167837741342354
Energy: 1.1687170024027942
Energy: 0.9987886640199869
Energy: 1.2571535093617134
Energy: 1.0862416037403113
Energy: 1.2571535093634545
Energy: 1.096088737613411
Energy: 1.1992229065797724
Energy: 1.0956617407307765
Energy: 1.1992229065789022
Energy: 1.2100080021006425
Energy: 1.2547111862272604
Energy: 1.0146958869886875
Energy: 1.2547111862255196
Energy: 1.0959349371745086
Energy: 1.199362514584767
Energy: 1.095736793037053
Energy: 1.199362514584767
Energy: 0.9987270273631095
Energy: 1.2572519489255352
Energy: 1.127053411223442
Energy: 1.257251948929017
Energy: 1.0776609998072317
Energy: 1.1691583865688193
Energy: 1.0331985481672195
Energy: 1.1691583865696897

minimum gb energy = 0.9009263987927738 eV
minimum distance =  2.25005386131138 Angstroms
sigma value = 25


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

Energy: 1.2022311097839584
Energy: 1.3223366389887168
Energy: 1.1122556943752115
Energy: 1.3223366389887168
Energy: 1.1909503801285306
Energy: 1.274947967342387
Energy: 1.164088601774173
Energy: 1.274947967342387
Energy: 1.0693643360980716
Energy: 1.3703736216980429
Energy: 1.1502524413167323
Energy: 1.3703736216980429
Energy: 1.123976079702347
Energy: 1.3300603646678624
Energy: 1.0911346536490438
Energy: 1.3300603646678624
Energy: 1.092552050952154
Energy: 1.3236188324404612
Energy: 1.1779349358899345
Energy: 1.3236188324404612
Energy: 1.186826742865805
Energy: 1.3698878528632026
Energy: 1.2859267694575003
Energy: 1.3698878528632026
Energy: 1.179732130151336
Energy: 1.1665555077264371
Energy: 1.1396035858382803
Energy: 1.1665555077254253
Energy: 1.1477438148827475
Energy: 1.3270741874893317
Energy: 1.005251607616401
Energy: 1.3270741874893317
Energy: 1.1416089831766931
Energy: 1.2567112831165574
Energy: 1.1799406459767487
Energy: 1.2567112831165574
Energy: 1.1520894948986502
Energy: 1.3692743785481993
Energy: 1.0737678528411494
Energy: 1.3692743785481993
Energy: 1.1497307723557564
Energy: 1.3217101608455657
Energy: 1.1872289886898488
Energy: 1.3217101608455657
Energy: 1.1051363890428132
Energy: 1.3216335215128412
Energy: 1.1880610260668119
Energy: 1.3216335215128412
Energy: 1.150136312348987
Energy: 1.277349845033715
Energy: 1.072840018200823
Energy: 1.277349845033715
Energy: 1.141467722672943
Energy: 1.1496239907351824
Energy: 1.1803599055358582
Energy: 1.1496239907341705
Energy: 0.9412281135137062
Energy: 1.3283234147563887
Energy: 1.0026861662376376
Energy: 1.3283234147563887
Energy: 1.1791892631909908
Energy: 1.1652552760275419
Energy: 1.092641872587321
Energy: 1.16525527602653
Energy: 0.9633419008254691
Energy: 1.3705583285383824
Energy: 0.962985239459898
Energy: 1.3705583285383824
Energy: 1.0925710391261885
Energy: 1.2852689001150117
Energy: 1.1486393595478643
Energy: 1.2852689001160238
Energy: 1.1214399637510482
Energy: 1.3319886475785854
Energy: 1.092514228609294
Energy: 1.3319886475785854
Energy: 1.1789801106976447
Energy: 1.3694776993334705
Energy: 1.1654019018448887
Energy: 1.3694776993334705
Energy: 1.1825070829403157
Energy: 1.2404685381755918
Energy: 1.1649473430608268
Energy: 1.2404685381766034
Energy: 1.198947167395596
Energy: 1.3238507979599499
Energy: 1.1374803230462465
Energy: 1.3238507979599499
Energy: 1.1892220647564031
Energy: 1.265878245719974
Energy: 1.16307989597216
Energy: 1.2658782457209856
Energy: 1.0681925220600168
Energy: 1.3694073631988986
Energy: 1.151628335087099
Energy: 1.3694073631999102
Energy: 1.165156461599825
Energy: 1.2026414743686802
Energy: 1.0914475298162019
Energy: 1.2026414743696923

minimum gb energy = 0.9412281135137062 eV
minimum distance =  2.24261640580296 Angstroms
sigma value = 9


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

Energy: 1.3263688072935504
Energy: 1.416451462946476
Energy: 1.1883871912259205
Energy: 1.4164514629476834
Energy: 1.2193662969678696
Energy: 1.3790362026635266
Energy: 1.2586780922584329
Energy: 1.3790362026623195
Energy: 1.150487236830757
Energy: 1.4259863378544548
Energy: 1.2337567821414257
Energy: 1.4259863378556619
Energy: 1.4666085718893496
Energy: 1.4560214393691138
Energy: 1.0888744991295338
Energy: 1.4560214393679063
Energy: 1.311948949724928
Energy: 1.3577552916798754
Energy: 1.2829290230666601
Energy: 1.3577552916810824
Energy: 1.018351950176556
Energy: 1.4213306150141127
Energy: 1.2074752125996127
Energy: 1.4213306150141127
Energy: 1.2894250089215642
Energy: 1.0887162786337217
Energy: 1.0905303075474273
Energy: 1.088716278636136
Energy: 1.1268203667373642
Energy: 1.4255335424946105
Energy: 1.08041074315922
Energy: 1.4255335424946105
Energy: 1.2959197102615931
Energy: 1.3779452559274876
Energy: 1.2838621979541818
Energy: 1.3779452559286947
Energy: 1.2771015119478952
Energy: 1.4165812609819037
Energy: 1.2075070517400466
Energy: 1.4165812609819037
Energy: 1.165405935882166
Energy: 1.3968698270733741
Energy: 1.233566098575928
Energy: 1.3968698270733741
Energy: 1.3333825712387015
Energy: 1.4161147650233252
Energy: 1.0886137998601357
Energy: 1.4161147650221182
Energy: 1.0187512013669509
Energy: 1.4263066801840114
Energy: 1.0564799150647792
Energy: 1.4263066801840114
Energy: 1.1842289112079531
Energy: 2.0101017012009503
Energy: 1.2471879841994948
Energy: 2.010101701202158
Energy: 1.0186323560065385
Energy: 1.4261759808529064
Energy: 0.988916264705708
Energy: 1.4261759808529064
Energy: 1.33337276072766
Energy: 1.4160844187001072
Energy: 1.088660281866978
Energy: 1.4160844187001072
Energy: 1.1654725147138292
Energy: 1.3967963832811345
Energy: 1.2335470341761152
Energy: 1.3967963832823416
Energy: 1.2770398001404988
Energy: 1.4164728850576227
Energy: 1.2075040261434853
Energy: 1.4164728850576227
Energy: 1.2955313777832602
Energy: 1.3778389296996996
Energy: 1.2838802930575421
Energy: 1.3778389296984925
Energy: 1.126883730625315
Energy: 1.4254340352758046
Energy: 1.0804403088345151
Energy: 1.4254340352758046
Energy: 1.2894950544293609
Energy: 1.088655790533803
Energy: 1.0905983446191476
Energy: 1.088655790532596

minimum gb energy = 0.988916264705708 eV
minimum distance =  2.30325462270958 Angstroms
sigma value = 25


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

Energy: 1.150800783694213
Energy: 1.4929568285756427
Energy: 1.3061303858083502
Energy: 1.4929568285756427
Energy: 1.1133536663757069
Energy: 1.4872788486633688
Energy: 1.0804470235427235
Energy: 1.4872788486633688
Energy: 1.275714584025391
Energy: 1.5428703690518475
Energy: 1.0801348576581278
Energy: 1.5428703690518475
Energy: 1.3406557011950635
Energy: 1.4616186289899171
Energy: 1.3675490638659418
Energy: 1.4616186289884245
Energy: 1.2141036507270084
Energy: 1.2648769276068612
Energy: 1.251899094807916
Energy: 1.2648769276068612
Energy: 1.0857877765927504
Energy: 1.5525462087596855
Energy: 1.0810499870319348
Energy: 1.5525462087596855
Energy: 1.2515398837319671
Energy: 1.3082799048994669
Energy: 1.2752188733845646
Energy: 1.3082799048994669
Energy: 1.3673436835976012
Energy: 1.4921040431632757
Energy: 1.1482151441761832
Energy: 1.4921040431632757
Energy: 1.0801715062349735
Energy: 1.325938262679304
Energy: 1.1149551962777717
Energy: 1.325938262679304
Energy: 1.298416368644121
Energy: 1.509684253739399
Energy: 1.2740774926620149
Energy: 1.509684253739399
Energy: 1.0534317885562343
Energy: 1.4921046406863743
Energy: 1.3361726549646862
Energy: 1.4921046406863743
Energy: 1.2543195931852327
Energy: 1.7503580743653961
Energy: 1.3005204371379488
Energy: 1.7503580743639033
Energy: 1.2173199685989589
Energy: 1.5425865866067971
Energy: 1.0807699236738681
Energy: 1.5425865866067971
Energy: 1.2541141904924618
Energy: 1.4628633341303194
Energy: 1.3409881749675079
Energy: 1.4628633341303194
Energy: 1.3960264240031057
Energy: 1.4904136803244594
Energy: 1.3973222972767265
Energy: 1.4904136803244594
Energy: 1.1118654293136825
Energy: 1.509720600756112
Energy: 1.085780964867733
Energy: 1.509720600756112
Energy: 1.2757548492154325
Energy: 1.1958146711379378
Energy: 1.2994477297181086
Energy: 1.1958146711364452

minimum gb energy = 1.0534317885562343 eV
minimum distance =  2.29351504070225 Angstroms
sigma value = 17


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

Energy: 1.3741802678348511
Energy: 1.342532456202152
Energy: 1.40124080038158
Energy: 1.342532456202152
Energy: 1.3031637186090408
Energy: 1.298762129526638
Energy: 1.1264249339980064
Energy: 1.298762129526638
Energy: 1.3424419747856335
Energy: 1.4318591311714302
Energy: 1.1263057184736904
Energy: 1.4318591311714302
Energy: 1.1291602976233326
Energy: 1.4608699785941868
Energy: 1.2763209539223828
Energy: 1.460869978574741
Energy: 1.3029523632390896
Energy: 1.4299872937668439
Energy: 1.2381104956342952
Energy: 1.429987293765998
Energy: 1.1601342060541693
Energy: 1.3436315809430894
Energy: 1.2084871476261578
Energy: 1.3436315809430894
Energy: 1.2391211572361027
Energy: 1.337642295673434
Energy: 1.2356723419780917
Energy: 1.3376422956725886
Energy: 1.210308043217308
Energy: 1.3439487897719344
Energy: 1.1563232855220424
Energy: 1.3439487897719344
Energy: 1.162454546744364
Energy: 1.461846420188851
Energy: 1.3838359042514243
Energy: 1.4618464201880057
Energy: 1.367076026052164
Energy: 1.2864985564717402
Energy: 1.129038311390515
Energy: 1.2864985564717402
Energy: 1.1327081608762426
Energy: 1.3439054306890779
Energy: 1.2412017498027053
Energy: 1.3439054306890779
Energy: 1.2643487736066141
Energy: 1.336724340864909
Energy: 1.2643068102410322
Energy: 1.336724340864909
Energy: 1.283653589492657
Energy: 1.3426229620790195
Energy: 1.3409372351658062
Energy: 1.3426229620781742
Energy: 1.1263671126249861
Energy: 1.589913972771534
Energy: 1.3034942279676862
Energy: 1.5899139727723797
Energy: 1.2634183717580194
Energy: 1.4205847051483127
Energy: 1.2664746070466313
Energy: 1.4205847051474672
Energy: 1.2359165489710637
Energy: 1.3437138327670917
Energy: 1.209529290605631
Energy: 1.3437138327662463
Energy: 1.2354840141777683
Energy: 1.4173659110016976
Energy: 1.403858946112252
Energy: 1.4173659110008523
Energy: 1.2183617685278103
Energy: 1.3198427717293297
Energy: 1.1598393685825426
Energy: 1.319842771730175
Energy: 1.3205133987478317
Energy: 1.4639686813491914
Energy: 1.1964527682287376
Energy: 1.4639686813491914
Energy: 1.3147881582755094
Energy: 1.3432694423222769
Energy: 1.238567190770876
Energy: 1.3432694423222769
Energy: 1.1687808205226657
Energy: 1.431722773170278
Energy: 1.2366115157885553
Energy: 1.4317227731711233
Energy: 1.2362961997762776
Energy: 1.330777737661869
Energy: 1.3681015521025783
Energy: 1.330777737661869
Energy: 1.2849036483704264
Energy: 1.342667812210416
Energy: 1.1273114569913172
Energy: 1.3426678122095703
Energy: 1.2646684801781412
Energy: 1.4248815935117924
Energy: 1.409907695395177
Energy: 1.4248815935117924
Energy: 1.3462260981727265
Energy: 1.4316800191124563
Energy: 1.4114356007466524
Energy: 1.4316800191124563
Energy: 1.3503264765938265
Energy: 1.3430806872750503
Energy: 1.1286029838697107
Energy: 1.3430806872742045
Energy: 1.2382349116166016
Energy: 1.34217356912265
Energy: 1.4279871829499156
Energy: 1.34217356912265
Energy: 1.2083481772481346
Energy: 1.3436208305478379
Energy: 1.238266616569997
Energy: 1.3436208305478379
Energy: 1.3677218028307772
Energy: 1.5721825681589967
Energy: 1.2388975856390623
Energy: 1.5721825681589967
Energy: 1.1561646344451606
Energy: 1.462323656238531
Energy: 1.2183821755528728
Energy: 1.462323656238531

minimum gb energy = 1.1263057184736904 eV
minimum distance =  2.18917065339515 Angstroms
sigma value = 53


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

Energy: 1.1141224484597723
Energy: 1.1128866670540534
Energy: 1.4273042925210804
Energy: 1.1128866670540534
Energy: 1.3217386015071941
Energy: 1.2901864022603846
Energy: 1.085972686334834
Energy: 1.290186402262331
Energy: 1.1329598627198811
Energy: 1.1127012770532376
Energy: 1.1560557119420425
Energy: 1.1127012770532376
Energy: 1.1333801109699417
Energy: 1.112612486712208
Energy: 1.1571799950544328
Energy: 1.1126124867102614
Energy: 1.3219609405096322
Energy: 1.290223056968634
Energy: 1.0860523218535787
Energy: 1.290223056968634
Energy: 1.1141224484597723
Energy: 1.112886667052107
Energy: 1.3461752988198865
Energy: 1.112886667052107
Energy: 1.3217386015071941
Energy: 1.2901864022564917
Energy: 1.1562161350359939
Energy: 1.2901864022584382
Energy: 1.1329598627198811
Energy: 1.1127012770532376
Energy: 1.293238236303347
Energy: 1.1127012770532376
Energy: 1.1333801109699417
Energy: 1.112612486712208
Energy: 1.222631458736639
Energy: 1.1126124867102614
Energy: 1.3219609405115786
Energy: 1.2902230569705804
Energy: 1.4013352365120066
Energy: 1.2902230569705804
Energy: 1.1141224484597723
Energy: 1.1128866670540534
Energy: 1.3868753456625713
Energy: 1.112886667052107
Energy: 1.321738601505248
Energy: 1.2901864022525988
Energy: 1.2225137200118408
Energy: 1.2901864022525988
Energy: 1.1329598627198811
Energy: 1.1127012770532376
Energy: 1.293238237546582
Energy: 1.1127012770532376

minimum gb energy = 1.085972686334834 eV
minimum distance =  2.28130629878318 Angstroms
sigma value = 9


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

Energy: 1.2417860358449992
Energy: 1.5707432814460036
Energy: 1.529366534420395
Energy: 1.5707432814474445
Energy: 1.5054447710581305
Energy: 1.2637217406304926
Energy: 1.2167986488336053
Energy: 1.2637217406319337
Energy: 1.1698738363245667
Energy: 1.2160539549755502
Energy: 1.1934140323544833
Energy: 1.2160539549777112
Energy: 1.2583653416723906
Energy: 1.588681101426822
Energy: 1.1892765106539527
Energy: 1.5886811014275426
Energy: 1.2906410159319825
Energy: 1.2849986051980624
Energy: 1.195926752909762
Energy: 1.2849986051980624
Energy: 1.2182654053965634
Energy: 1.2166202570095603
Energy: 1.2379583262459544
Energy: 1.2166202570081197
Energy: 1.5346096273664902
Energy: 1.274699325627788
Energy: 1.216537268119119
Energy: 1.274699325627788
Energy: 1.1924045585821177
Energy: 1.5935074077748217
Energy: 1.284308087398236
Energy: 1.5935074077748217
Energy: 1.1731724428067363
Energy: 1.6090952603988862
Energy: 1.2163666917177485
Energy: 1.6090952603988862
Energy: 1.1714312431321239
Energy: 1.2596006236956856
Energy: 1.2175725409238942
Energy: 1.2596006236942447
Energy: 1.1948102383699937
Energy: 1.6390701093114803
Energy: 1.399541549707511
Energy: 1.6390701093107598
Energy: 1.362525109754105
Energy: 1.6911574542514616
Energy: 1.2020347394038404
Energy: 1.6911574542507413
Energy: 1.173427233583183
Energy: 1.4094834436478638
Energy: 1.4734242789021659
Energy: 1.4094834436514656
Energy: 1.2629110306005917
Energy: 1.5972697193541174
Energy: 1.2491915952383323
Energy: 1.5972697193533967
Energy: 1.2195429670599482
Energy: 1.4275421217930553
Energy: 1.3931760931078156
Energy: 1.4275421217901738
Energy: 1.1774271145021908
Energy: 1.6113509005011812
Energy: 1.2443585954648801
Energy: 1.6113509005011812
Energy: 1.2533429928126363
Energy: 1.4273911138507231
Energy: 1.2197866138506028
Energy: 1.4273911138514437
Energy: 1.1987156141800381
Energy: 1.2751308958659437
Energy: 1.3987241754682267
Energy: 1.275130895866664
Energy: 1.350928291123677
Energy: 1.406711485681479
Energy: 1.2207911813717611
Energy: 1.406711485681479
Energy: 1.199178563471163
Energy: 1.2855043010483684
Energy: 1.2859229838678095
Energy: 1.2855043010483684
Energy: 1.2568768468849203
Energy: 1.586409528892455
Energy: 1.2610357708898103
Energy: 1.5864095288931754
Energy: 1.2838759597363127
Energy: 1.3199939806366292
Energy: 1.1713395631916674
Energy: 1.3199939806380698
Energy: 1.2176116214312225
Energy: 1.4390639550839741
Energy: 1.1733854020652605
Energy: 1.4390639550846944
Energy: 1.4594777579608271
Energy: 1.3829759353605393
Energy: 1.1926395291255631
Energy: 1.3829759353619802
Energy: 1.216458212154433
Energy: 1.6525239149604227
Energy: 1.5212048145952604
Energy: 1.6525239149604227
Energy: 1.2046203558946005
Energy: 1.217202064446722
Energy: 1.1706890760466548
Energy: 1.2172020644474426
Energy: 1.3810521012780574
Energy: 1.428494843105484
Energy: 1.257689287249284
Energy: 1.4284948431047637
Energy: 1.2385774884280618
Energy: 1.5882546433280018
Energy: 1.2587378135393648
Energy: 1.5882546433272813
Energy: 1.2301164701043712
Energy: 1.2169056801971099
Energy: 1.1697716175991137
Energy: 1.2169056801971099
Energy: 1.216156105338286
Energy: 1.655276861693753
Energy: 1.502365949235286
Energy: 1.655276861693753
Energy: 1.4330725837153442
Energy: 1.5717670702423925
Energy: 1.1915410906207387
Energy: 1.571767070243113
Energy: 1.2161994845110942
Energy: 1.276288283575719
Energy: 1.1711410547283265
Energy: 1.2762882835764398
Energy: 1.2159944664156888
Energy: 1.3231569033990718
Energy: 1.1700513370913859
Energy: 1.3231569033990718
Energy: 1.2576622938917634
Energy: 1.5882247847551483
Energy: 1.2582445659656445
Energy: 1.5882247847551483
Energy: 1.1979166368174576
Energy: 1.4446828035537485
Energy: 1.5358488018985579
Energy: 1.4446828035537485

minimum gb energy = 1.1697716175991137 eV
minimum distance =  2.23314275573433 Angstroms
sigma value = 73


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

Energy: 1.2445961931323026
Energy: 1.2424531913059673
Energy: 1.5067804212288591
Energy: 1.2424531913059673
Energy: 1.2719186388624486
Energy: 1.3605118880581755
Energy: 1.2473211178270913
Energy: 1.3605118880581755
Energy: 1.2202014125230334
Energy: 1.241893651799728
Energy: 1.2036298054261017
Energy: 1.2418936518008712
Energy: 1.1667789128768524
Energy: 1.3609910595259125
Energy: 1.2170678589923167
Energy: 1.3609910595259125
Energy: 1.164481108366317
Energy: 1.3279331894509734
Energy: 1.203862929847955
Energy: 1.3279331894509734
Energy: 1.220013046486501
Energy: 1.5400283332312716
Energy: 1.3324234054469393
Energy: 1.5400283332312716
Energy: 1.5264185466349136
Energy: 1.6815042594653062
Energy: 1.248749985550827
Energy: 1.6815042594653062
Energy: 1.1660946290068133
Energy: 1.2424236541418268
Energy: 1.5303956605653477
Energy: 1.2424236541418268
Energy: 1.3855240000138562
Energy: 1.2430385174005836
Energy: 1.2420585536511362
Energy: 1.2430385174005836
Energy: 1.2453325043064833
Energy: 1.28884662491197
Energy: 1.2462705423936276
Energy: 1.28884662491197
Energy: 1.1631596482448254
Energy: 1.5317933368743122
Energy: 1.384807133003664
Energy: 1.5317933368743122
Energy: 1.3588889857976985
Energy: 1.3483016340254015
Energy: 1.1662156430452177
Energy: 1.3483016340265443
Energy: 1.21688466563517
Energy: 1.3121637361822975
Energy: 1.3236659111180673
Energy: 1.3121637361822975
Energy: 1.4794999535484896
Energy: 1.3136127504555857
Energy: 1.2206531906259521
Energy: 1.3136127504555857
Energy: 1.2039058205927
Energy: 1.3058322691754987
Energy: 1.3588505169230018
Energy: 1.3058322691777846
Energy: 1.3848106217417069
Energy: 1.242604170121323
Energy: 1.1667844831562766
Energy: 1.242604170121323
Energy: 1.2483407336351953
Energy: 1.5178269892569827
Energy: 1.2207318342841234
Energy: 1.5178269892569827
Energy: 1.24214764068879
Energy: 1.2432233117006846
Energy: 1.218984638728877
Energy: 1.2432233117006846
Energy: 1.2917649754484402
Energy: 1.242295423419747
Energy: 1.1637662139729936
Energy: 1.242295423419747
Energy: 1.2475445422470872
Energy: 1.3058324031099051
Energy: 1.52690529773174
Energy: 1.3058324031099051
Energy: 1.4825923103844019
Energy: 1.2306823035771741
Energy: 1.2200785696457228
Energy: 1.2306823035760308
Energy: 1.2474188052146984
Energy: 1.3248055465812565
Energy: 1.32477665509022
Energy: 1.3248055465812565

minimum gb energy = 1.1631596482448254 eV
minimum distance =  2.24118893336933 Angstroms
sigma value = 7


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

Energy: 1.3686612176129918
Energy: 1.3570171148491041
Energy: 1.4627839551243889
Energy: 1.3570171148499124
Energy: 1.4223924158887973
Energy: 1.4805023724591364
Energy: 1.2436351872393272
Energy: 1.48050237245752
Energy: 1.2048846322451534
Energy: 1.5156306912959812
Energy: 1.2318371866786744
Energy: 1.515630691295173
Energy: 1.2014097135276687
Energy: 1.442314155930676
Energy: 1.2511125996758137
Energy: 1.4423141559331005
Energy: 1.2290631552740825
Energy: 1.314205800973896
Energy: 1.3283709686384622
Energy: 1.314205800973088
Energy: 1.2284150322116487
Energy: 1.2764687242605153
Energy: 1.3235499850050165
Energy: 1.2764687242613235
Energy: 1.5376205942258705
Energy: 1.493223264347263
Energy: 1.2777395920247834
Energy: 1.493223264346455
Energy: 1.2280957028357709
Energy: 1.2768015004817799
Energy: 1.5397192201672738
Energy: 1.276801500482588
Energy: 1.3371941645881975
Energy: 1.4303638393698646
Energy: 1.257570723556265
Energy: 1.4303638393690563
Energy: 1.2168324927150793
Energy: 1.3446400985692184
Energy: 1.433744521936607
Energy: 1.3446400985684102
Energy: 1.199569138501825
Energy: 1.5035699118842185
Energy: 1.2300678316050988
Energy: 1.5035699118826023
Energy: 1.308679116944184
Energy: 1.485556844092319
Energy: 1.2224278986117296
Energy: 1.485556844092319
Energy: 1.2750697722009143
Energy: 1.4559023848739796
Energy: 1.2261654865829572
Energy: 1.4559023848739796
Energy: 1.2497539137773173
Energy: 1.256797107944667
Energy: 1.2257390923387046
Energy: 1.2567971079406262
Energy: 1.2149553279748806
Energy: 1.6418768065825367
Energy: 1.5028988209704999
Energy: 1.6418768065817286
Energy: 1.3664383971509841
Energy: 1.3713568692938285
Energy: 1.2534867314694045
Energy: 1.3713568692946365
Energy: 1.2419452287923134
Energy: 1.338788370015024
Energy: 1.3124830733147197
Energy: 1.3387883700142158
Energy: 1.258189157194914
Energy: 1.2840648155272272
Energy: 1.222413910289231
Energy: 1.2840648155280352
Energy: 1.2222793257760707
Energy: 1.4818167509005595
Energy: 1.2266151719359781
Energy: 1.4818167508997515
Energy: 1.235474119189143
Energy: 1.3308806992408837
Energy: 1.2887674692956717
Energy: 1.3308806992408837
Energy: 1.1975071734698957
Energy: 1.516879481712688
Energy: 1.2577186994708835
Energy: 1.5168794817118798
Energy: 1.221389384250054
Energy: 1.4395213746977404
Energy: 1.5104530319335683
Energy: 1.4395213746961242
Energy: 1.5364474455744535
Energy: 1.6643682132538136
Energy: 1.2297816234622267
Energy: 1.6643682132546218
Energy: 1.3621595072686088
Energy: 1.3573852065206025
Energy: 1.356869188633479
Energy: 1.3573852065206025
Energy: 1.3635592445245783
Energy: 1.3137699149500255
Energy: 1.2529400972441724
Energy: 1.3137699149484088
Energy: 1.2041414434140016
Energy: 1.5132306846427375
Energy: 1.2240207359144457
Energy: 1.513230684644354
Energy: 1.2056185127909431
Energy: 1.44650530399494
Energy: 1.2802189621087519
Energy: 1.4465053039917073
Energy: 1.2484833361288454
Energy: 1.3319153705141134
Energy: 1.2785856799713127
Energy: 1.331915370513305
Energy: 1.2238609660577047
Energy: 1.2765392504683442
Energy: 1.2169905594124135
Energy: 1.2765392504683442
Energy: 1.4639115371234532
Energy: 1.270879670518413
Energy: 1.2426465781596288
Energy: 1.270879670518413
Energy: 1.2237612216769063
Energy: 1.481332999251466
Energy: 1.2889296415807736
Energy: 1.4813329992506579

minimum gb energy = 1.1975071734698957 eV
minimum distance =  2.23260209194608 Angstroms
sigma value = 29


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

Energy: 1.2788563121877163
Energy: 1.213355353836075
Energy: 1.478734775044536
Energy: 1.213355353836638
Energy: 1.2196821539929665
Energy: 1.2814976944681828
Energy: 1.2816502900535454
Energy: 1.2814976944668066
Energy: 1.1558265455132413
Energy: 1.3265167151402253
Energy: 1.2441554853471755
Energy: 1.3265167151399435
Energy: 1.2757619733752732
Energy: 1.2835929529161676
Energy: 1.2816339734283972
Energy: 1.2835929541672526
Energy: 1.2791189625946233
Energy: 1.283911719970155
Energy: 1.1559769036469898
Energy: 1.283911719970155
Energy: 1.15576670703851
Energy: 1.3288713063611053
Energy: 1.1557393231295499
Energy: 1.3288713063613866
Energy: 1.1558503948938437
Energy: 1.283930599313583
Energy: 1.2791382734009016
Energy: 1.283930599313583
Energy: 1.2817107895734603
Energy: 1.283530673458397
Energy: 1.275750539794215
Energy: 1.283530673457584
Energy: 1.2397096988365661
Energy: 1.3274587953750254
Energy: 1.1557816252665383
Energy: 1.3274587953747436

minimum gb energy = 1.1557393231295499 eV
minimum distance =  2.26177629819535 Angstroms
sigma value = 5


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

Energy: 1.2187959903604084
Energy: 1.2114000843829935
Energy: 1.6049040016987925
Energy: 1.21140008438223
Energy: 1.4286378203625891
Energy: 1.6207499120256037
Energy: 1.164689765780034
Energy: 1.6207499120248403
Energy: 1.163694846772524
Energy: 1.194140934986768
Energy: 1.32682252962905
Energy: 1.1941409349875316
Energy: 1.145148398967103
Energy: 1.4258004340597183
Energy: 1.1927841737909848
Energy: 1.4258004340597183
Energy: 1.1929920682414161
Energy: 1.2745734267180697
Energy: 1.3369596460486481
Energy: 1.2745734267180697
Energy: 1.2079275796094782
Energy: 1.2135221844536652
Energy: 1.164799719566792
Energy: 1.2135221844529016
Energy: 1.165543926799748
Energy: 1.2703173123170728
Energy: 1.165780903942218
Energy: 1.2703173123170728
Energy: 1.1685487716588412
Energy: 1.2137052894130864
Energy: 1.1732458083197461
Energy: 1.2137052894130864
Energy: 1.192527417098591
Energy: 1.2709857270581917
Energy: 1.1600254209748377
Energy: 1.270985727058955
Energy: 1.189283801161933
Energy: 1.2709267022573547
Energy: 1.1515296605305414
Energy: 1.2709267022573547
Energy: 1.1771788658543518
Energy: 1.4518420641267817
Energy: 1.1711402032397598
Energy: 1.4518420641313625
Energy: 1.164405272531305
Energy: 1.2002661050406382
Energy: 1.241412713824671
Energy: 1.2002661050406382
Energy: 1.2177823786137458
Energy: 1.21201324349225
Energy: 1.220325551241447
Energy: 1.2120132434914865
Energy: 1.1978758867277592
Energy: 1.2141053395497008
Energy: 1.4318171947585825
Energy: 1.2141053395481738
Energy: 1.3877535868098196
Energy: 1.4019969928953244
Energy: 1.17137624559516
Energy: 1.4019969928899803
Energy: 1.1910516992927138
Energy: 1.194419986410473
Energy: 1.19907584687743
Energy: 1.194419986410473
Energy: 1.4395878908794681
Energy: 1.4157978581678663
Energy: 1.1822583997101106
Energy: 1.4157978581648125
Energy: 1.19294264383004
Energy: 1.212076769741331
Energy: 1.2805849600939407
Energy: 1.212076769741331
Energy: 1.1759859421364964
Energy: 1.2724582592766709
Energy: 1.1674822822682454
Energy: 1.2724582592774345
Energy: 1.1643893065436417
Energy: 1.512553440836894
Energy: 1.2075014778528257
Energy: 1.512553440836894
Energy: 1.151679445443682
Energy: 1.448306529282979
Energy: 1.1899971364486128
Energy: 1.4483065292852697
Energy: 1.191395835361534
Energy: 1.270524120436319
Energy: 1.1824816884231613
Energy: 1.270524120436319
Energy: 1.170847274743799
Energy: 1.2134642983853448
Energy: 1.1512082793655363
Energy: 1.2134642983868718
Energy: 1.2371030895509987
Energy: 1.460939675086465
Energy: 1.1646482304252952
Energy: 1.460939675037604
Energy: 1.219524070479096
Energy: 1.214023513265448
Energy: 1.1699022572429618
Energy: 1.2140235132662114
Energy: 1.19948730067734
Energy: 1.2145627254989428
Energy: 1.1932890176867217
Energy: 1.2145627254981795
Energy: 1.1724643942354689
Energy: 1.1768602975178508
Energy: 1.2110618639454775
Energy: 1.176860297520141
Energy: 1.2035507763921205
Energy: 1.4010109610201498
Energy: 1.1911166764696113
Energy: 1.4010109610209132
Energy: 1.1635391234177608
Energy: 1.6214812930182687
Energy: 1.4978467698389766
Energy: 1.6214812930190323
Energy: 1.3141312808228587
Energy: 1.211873166871885
Energy: 1.1932463012253691
Energy: 1.211873166871885
Energy: 1.1623205584715495
Energy: 1.1906688482609602
Energy: 1.3128941222096946
Energy: 1.1906688482601966
Energy: 1.3329869588049048
Energy: 1.212692270196479
Energy: 1.1641961742670763
Energy: 1.212692270193425
Energy: 1.1935835457638415
Energy: 1.618388543232747
Energy: 1.1452385843315822
Energy: 1.6183885432319836

minimum gb energy = 1.145148398967103 eV
minimum distance =  2.1299937815705 Angstroms
sigma value = 1


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

Energy: 1.1544929239988697
Energy: 1.1535798932401642
Energy: 1.5683666889222068
Energy: 1.1535798932401642
Energy: 1.4188309055591966
Energy: 1.6655725681468236
Energy: 1.1372617026165324
Energy: 1.6655725681468236
Energy: 1.094655396031659
Energy: 1.1532753218769303
Energy: 1.2755868923859184
Energy: 1.1532753218779859
Energy: 1.1653576448688372
Energy: 1.2219885823796774
Energy: 1.1268770928180398
Energy: 1.221988582380733
Energy: 1.1022048966013562
Energy: 1.4418251997137037
Energy: 1.3323091769128514
Energy: 1.4418251997147595
Energy: 1.0938422360321078
Energy: 1.4476766127880036
Energy: 1.1280191403224717
Energy: 1.4476766127880036
Energy: 1.0939017255241135
Energy: 1.2558396487460275
Energy: 1.1783124325729728
Energy: 1.2558396487460275
Energy: 1.0936768775029588
Energy: 1.4478547273822835
Energy: 1.1608612495156554
Energy: 1.4478547273822835
Energy: 1.152472723284915
Energy: 1.162485559941942
Energy: 1.1713748652455245
Energy: 1.162485559940886
Energy: 1.1524298136841546
Energy: 1.1626173557749817
Energy: 1.184562976873476
Energy: 1.1626173557749817
Energy: 1.0936370044829502
Energy: 1.447775907635687
Energy: 1.1414620411756318
Energy: 1.4477759076399095
Energy: 1.0938552206803622
Energy: 1.2558054857363912
Energy: 1.1784151847888849
Energy: 1.2558054857363912
Energy: 1.0939472909918946
Energy: 1.4476710909555994
Energy: 1.1296417753346064
Energy: 1.4476710909555994
Energy: 1.1019642419317217
Energy: 1.441848607594078
Energy: 1.3425894474543718
Energy: 1.441848607594078
Energy: 1.1654551154071207
Energy: 1.2217471126092365
Energy: 1.1259056207291516
Energy: 1.2217471126071253
Energy: 1.0945955753884824
Energy: 1.1535280243964743
Energy: 1.436175945457577
Energy: 1.15352802439753
Energy: 1.418973187488885
Energy: 1.6655688263263881
Energy: 1.1373933160272496
Energy: 1.665568826327444
Energy: 1.1544929239988697
Energy: 1.1535798932391088
Energy: 1.1402436413141066
Energy: 1.1535798932401642
Energy: 1.4188309055581414
Energy: 1.6655725681468236
Energy: 1.1372617026165324
Energy: 1.6655725681468236
Energy: 1.0946553960327146
Energy: 1.1532753218779859
Energy: 1.5588252745260136
Energy: 1.1532753218779859
Energy: 1.1653576448698926
Energy: 1.221988582380733
Energy: 1.1268770928180398
Energy: 1.221988582380733
Energy: 1.1022048966013562
Energy: 1.4418251997137037
Energy: 1.3167174210138948
Energy: 1.4418251997147595
Energy: 1.0938422360321078
Energy: 1.4476766127880036
Energy: 1.1280191403235273
Energy: 1.4476766127869478
Energy: 1.0939017255241135
Energy: 1.2558396487460275
Energy: 1.1499579955359034
Energy: 1.2558396487460275

minimum gb energy = 1.0936370044829502 eV
minimum distance =  2.26912766950765 Angstroms
sigma value = 17


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

Energy: 1.1327072403390492
Energy: 1.1311945263327305
Energy: 1.622126100175056
Energy: 1.131194526333383
Energy: 1.4318014991993306
Energy: 1.3061385644391488
Energy: 1.1031749764480605
Energy: 1.306138564437844
Energy: 1.1008519931738194
Energy: 1.1139259429610984
Energy: 1.3535118173805893
Energy: 1.1139259429604458
Energy: 1.1646082076056983
Energy: 1.2756439598093232
Energy: 1.099195906813417
Energy: 1.2756439598093232
Energy: 1.0895039596375775
Energy: 1.4473434339238822
Energy: 1.3618902637669086
Energy: 1.4473434339238822
Energy: 1.0882226810391762
Energy: 1.52332201630067
Energy: 1.1181094170907977
Energy: 1.523322016301975
Energy: 1.1158724324770843
Energy: 1.1748991064683434
Energy: 1.1359356462582992
Energy: 1.1748991064689958
Energy: 1.0981573286203272
Energy: 1.3478673976720308
Energy: 1.0989123496595468
Energy: 1.3478673976726832
Energy: 1.1241764245476988
Energy: 1.3728291573331979
Energy: 1.1477058041642507
Energy: 1.3728291573331979
Energy: 1.1275704341313941
Energy: 1.4963028519731476
Energy: 1.109079040918967
Energy: 1.4963028519731476
Energy: 1.1048163176417884
Energy: 1.4723248174024244
Energy: 1.1008791168608671
Energy: 1.4723248174037291
Energy: 1.1073433448338634
Energy: 1.1730335818583026
Energy: 1.1032909076986646
Energy: 1.173033581858955
Energy: 1.0883750225728348
Energy: 1.5333212481171945
Energy: 1.115805618561899
Energy: 1.5333212481178473
Energy: 1.1022019046064835
Energy: 1.1948965946837726
Energy: 1.1727818191882513
Energy: 1.1948965946857297
Energy: 1.094283664049049
Energy: 1.509944185855936
Energy: 1.140942113059999
Energy: 1.5099441858552836
Energy: 1.1053027613244915
Energy: 1.2266145677773033
Energy: 1.346936352099308
Energy: 1.2266145677844802
Energy: 1.1269905584121984
Energy: 1.2853952403417541
Energy: 1.1019152130736378
Energy: 1.2853952451226813
Energy: 1.0949883162874452
Energy: 1.1321755227886527
Energy: 1.0944733465085057
Energy: 1.1321755227873476
Energy: 1.4822460526710584
Energy: 1.6092896034300275
Energy: 1.1028472865038792
Energy: 1.6092896034287227
Energy: 1.1138247098816128
Energy: 1.113762098129194
Energy: 1.230732158714515
Energy: 1.1137620981298466
Energy: 1.5601714745674982
Energy: 1.2354768648331924
Energy: 1.115374706522837
Energy: 1.235476864833845
Energy: 1.116229307375229
Energy: 1.2431514433873356
Energy: 1.5829690714147127
Energy: 1.243151443383421
Energy: 1.265977872217773
Energy: 1.2940637733148084
Energy: 1.1157027459928577
Energy: 1.2940637733708593
Energy: 1.1032231480218426
Energy: 1.426682007405403
Energy: 1.2882901381550125
Energy: 1.426682007404098
Energy: 1.1191987062902546
Energy: 1.1330395320297844
Energy: 1.0966680465719092
Energy: 1.1330395320284792
Energy: 1.117407638468561
Energy: 1.1967244870196612
Energy: 1.1445867105173182
Energy: 1.1967244870203138
Energy: 1.2390977110162043
Energy: 1.493945738856649
Energy: 1.107111487444608
Energy: 1.4939457388546915
Energy: 1.1456027923291463
Energy: 1.5061299462298272
Energy: 1.0953769785182736
Energy: 1.5061299462291748
Energy: 1.1306678810871853
Energy: 1.1943996995283244
Energy: 1.134196216462639
Energy: 1.1943996995309343
Energy: 1.118358469258559
Energy: 1.5341935251322059
Energy: 1.1429613946555266
Energy: 1.5341935251322059
Energy: 1.1016506850013725
Energy: 1.1939899512596688
Energy: 1.1043599593449356
Energy: 1.1939899512596688
Energy: 1.1027415598934036
Energy: 1.5027349713711593
Energy: 1.1006593473272142
Energy: 1.5027349713731166
Energy: 1.1067660155753722
Energy: 1.4965060830916117
Energy: 1.2607194110903066
Energy: 1.4965060830916117
Energy: 1.15397561169839
Energy: 1.3605745645007996
Energy: 1.121286478107251
Energy: 1.3605745644994947
Energy: 1.0977335447940997
Energy: 1.2445351868244652
Energy: 1.1294362322260072
Energy: 1.2445351868244652
Energy: 1.1361947537475232
Energy: 1.1768824323056146
Energy: 1.1169257490856612
Energy: 1.1768824323069194
Energy: 1.1158695065296282
Energy: 1.296072692559874
Energy: 1.0827075177803294
Energy: 1.2960726920948598
Energy: 1.3394809016629778
Energy: 1.4472823446648133
Energy: 1.1050011725751776
Energy: 1.447282344665466

minimum gb energy = 1.0827075177803294 eV
minimum distance =  2.16517325123642 Angstroms
sigma value = 89


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

Energy: 0.9875166343021963
Energy: 0.9868987610927331
Energy: 1.4962099410719174
Energy: 0.9868987610927331
Energy: 1.2799142394386165
Energy: 1.0272624602659761
Energy: 1.000020123266076
Energy: 1.0272624602659761
Energy: 0.997820545179789
Energy: 1.1673848181127813
Energy: 1.376130311690236
Energy: 1.1673848181127813
Energy: 0.9725358146522606
Energy: 1.0273591275285372
Energy: 0.9998571233098865
Energy: 1.0273591275285372
Energy: 0.9967711357187357
Energy: 1.3561571216554646
Energy: 1.2851331014719494
Energy: 1.3561571216554646
Energy: 0.9967979547910449
Energy: 0.9878712730660301
Energy: 0.9903573559267649
Energy: 0.9878712730660301
Energy: 0.9981372592414112
Energy: 1.1726343368103844
Energy: 0.9865157587832661
Energy: 1.1726343368087162
Energy: 0.9742163265628297
Energy: 1.4458915097849183
Energy: 0.999938626925988
Energy: 1.4458915097849183
Energy: 0.9983506319892383
Energy: 1.0764798069669261
Energy: 1.0388274194228446
Energy: 1.0764798069669261
Energy: 1.02773426925355
Energy: 1.3552698114976196
Energy: 0.9967794782777238
Energy: 1.3552698114976196
Energy: 0.9865875957055198
Energy: 1.0281866384510334
Energy: 0.9997112371306518
Energy: 1.0281866384510334
Energy: 0.9864170265515361
Energy: 1.1692670724240126
Energy: 0.9997966900197441
Energy: 1.16926707242572
Energy: 0.9971287400740293
Energy: 0.988004250826566
Energy: 0.9908054969379628
Energy: 0.988004250826566
Energy: 0.9968004655307083
Energy: 1.0735016000560806
Energy: 0.9968859985782804
Energy: 1.0735016000560806
Energy: 0.9727678973293681
Energy: 0.9875031877028513
Energy: 0.997052105688145
Energy: 0.9875031877011441

minimum gb energy = 0.9725358146522606 eV
minimum distance =  2.28812493222571 Angstroms
sigma value = 13


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

Energy: 1.065961878961668
Energy: 1.3762494927888351
Energy: 1.5642264209291936
Energy: 1.3762494927895506
Energy: 1.4324014209492164
Energy: 1.3353179242964501
Energy: 0.9226342964799613
Energy: 1.3353179242964501
Energy: 0.9465757709862834
Energy: 1.3105389695334428
Energy: 1.1455508406019688
Energy: 1.3105389695327272
Energy: 0.9531845717767379
Energy: 1.2463843352065043
Energy: 0.9273544218437336
Energy: 1.2463843352086508
Energy: 0.9464779009550672
Energy: 1.3438133051203327
Energy: 1.3194017785169578
Energy: 1.3438133051196173
Energy: 1.0023065808517304
Energy: 1.2466975221506802
Energy: 1.0358247785542147
Energy: 1.2466975221556889
Energy: 0.9431982607989265
Energy: 1.4629187977065699
Energy: 1.3987390659383245
Energy: 1.4629187977087166
Energy: 0.9186097938287328
Energy: 1.3416172459706497
Energy: 1.0356452642934404
Energy: 1.3416172459692186
Energy: 0.9452811177296477
Energy: 1.2718638300763911
Energy: 1.2195728337727154
Energy: 1.2718638300756757
Energy: 1.125244470577273
Energy: 1.4802486531802446
Energy: 0.9278527987831321
Energy: 1.4802486531816756
Energy: 0.9554213884107865
Energy: 1.2786492697895075
Energy: 1.0158563667401206
Energy: 1.2786492697895075
Energy: 1.2851235000521668
Energy: 1.4802743403991918
Energy: 0.9245137661068418
Energy: 1.4802743403984762
Energy: 0.9822209381721272
Energy: 1.3184244589031169
Energy: 0.9378590363776426
Energy: 1.3184244589002547
Energy: 1.2285768253402327
Energy: 1.3619579474840253
Energy: 0.92816564964169
Energy: 1.3619579474840253
Energy: 0.9527065933895152
Energy: 1.3117884479121629
Energy: 0.9237466921826267
Energy: 1.3117884479121629
Energy: 1.0172316457671158
Energy: 1.1934863271320222
Energy: 0.9363232537807846
Energy: 1.193486327130591
Energy: 0.938963539101967
Energy: 1.450725525788876
Energy: 0.9330925538653392
Energy: 1.4507255257895915
Energy: 0.9520070133231129
Energy: 1.4062917407172717
Energy: 1.0327222052288816
Energy: 1.4062917407172717
Energy: 0.9453932681064203
Energy: 1.4742735700059784
Energy: 1.0357754376497859
Energy: 1.4742735700088405
Energy: 0.9471814653045211
Energy: 1.4610513040180986
Energy: 1.035263527452801
Energy: 1.461051304017383
Energy: 0.9348686684831667
Energy: 1.271128638430089
Energy: 1.0347448834147983
Energy: 1.271128638432951
Energy: 0.9361444006290421
Energy: 1.1314087241718573
Energy: 0.9369641997793564
Energy: 1.1314087241689952
Energy: 1.0168504330963675
Energy: 1.2792374645027949
Energy: 0.9335409502982565
Energy: 1.279237464504226
Energy: 0.9521290812891534
Energy: 1.221117653003134
Energy: 0.9365713665001263
Energy: 1.221117653003134
Energy: 1.293538666833514
Energy: 1.4235217700922669
Energy: 0.9242533506602932
Energy: 1.4235217700901204
Energy: 1.0720676862833645
Energy: 1.3843407275231132
Energy: 0.9464561889794177
Energy: 1.3843407275209667
Energy: 1.2096313771634282
Energy: 1.4799241285469227
Energy: 0.9236362433851159
Energy: 1.4799241285483538
Energy: 0.9538561233434218
Energy: 1.1913789266349717
Energy: 0.9926872133892631
Energy: 1.1913789266342563
Energy: 1.0276567619955463
Energy: 1.3651485438178719
Energy: 0.9252809160431219
Energy: 1.365148534964414
Energy: 0.9437866535324625
Energy: 1.4145838306282426
Energy: 1.273336755703886
Energy: 1.4145838306325358
Energy: 0.9303711543246967
Energy: 1.2511008027031718
Energy: 1.0358845687380516
Energy: 1.2511008027053183
Energy: 0.9465101576507782
Energy: 1.402331694720216
Energy: 1.399075044095791
Energy: 1.4023316947388196
Energy: 1.0841539993166325
Energy: 1.152224688909486
Energy: 1.0357463190222722
Energy: 1.152224688910917
Energy: 0.9435679661995465
Energy: 1.3689523554813512
Energy: 1.2019800277405839
Energy: 1.3689523554806358
Energy: 1.0099392253995843
Energy: 1.3355817562023944
Energy: 0.9249482422435069
Energy: 1.335581756201679

minimum gb energy = 0.9186097938287328 eV
minimum distance =  2.14124980420481 Angstroms
sigma value = 37


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

Energy: 0.8900585941958967
Energy: 0.8890013950267164
Energy: 1.4157218675222027
Energy: 0.8890013950267164
Energy: 1.3347792854069778
Energy: 1.1881336300118837
Energy: 0.8310849542083271
Energy: 1.188133630002035
Energy: 0.8251196704853548
Energy: 1.4851717977192083
Energy: 1.53678911842051
Energy: 1.4851717977179775
Energy: 0.8248706800806183
Energy: 1.1879596353825843
Energy: 0.8309167944234737
Energy: 1.1879596353825843
Energy: 0.8301610327503102
Energy: 1.186927740393967
Energy: 1.1487151239993079
Energy: 1.186927740393967
Energy: 0.8202961669582876
Energy: 1.1879284925344507
Energy: 0.8273861390362961
Energy: 1.1879284925344507
Energy: 0.8312967767028389
Energy: 1.5114074689253756
Energy: 1.0888170744167398
Energy: 1.5114074689253756
Energy: 0.8297213895804828
Energy: 0.8896848972524324
Energy: 0.8929218579991737
Energy: 0.8896848972512014
Energy: 0.8303436386140512
Energy: 1.1873432075966208
Energy: 1.2079133100637585
Energy: 1.1873432075966208
Energy: 1.2015374031060806
Energy: 1.4715090929435766
Energy: 0.8275937397610522
Energy: 1.4715090929435766
Energy: 0.8311139123654425
Energy: 1.5100618230440777
Energy: 0.8244824435097012
Energy: 1.5100618230440777
Energy: 1.1600003354343604
Energy: 1.1870899963412866
Energy: 0.8311743444833465
Energy: 1.1870899963412866
Energy: 0.824523509974265
Energy: 1.187140492722509
Energy: 0.821616709390428
Energy: 1.187140492722509
Energy: 1.08931591558602
Energy: 1.5091479320661034
Energy: 0.8296093795413192
Energy: 1.5091479320648726
Energy: 0.8881736272597205
Energy: 0.9390535100699102
Energy: 0.8296905523420275
Energy: 0.9390535100699102
Energy: 0.8883378176157173
Energy: 1.1877536222467757
Energy: 0.8311020119539527
Energy: 1.1877536222467757
Energy: 0.8244728601139082
Energy: 1.473526898360847
Energy: 0.8205157329458002
Energy: 1.473526898360847
Energy: 0.8244623138370901
Energy: 1.5337593100215283
Energy: 0.8298103916940855
Energy: 1.533759310020297
Energy: 0.8311804639344033
Energy: 1.1880883365246013
Energy: 0.8300973728649794
Energy: 1.1880883365246013
Energy: 0.8296712699085942
Energy: 1.1876010594615407
Energy: 0.8244314423851015
Energy: 1.1876010594615407

minimum gb energy = 0.8202961669582876 eV
minimum distance =  2.16851773276603 Angstroms
sigma value = 25


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

Energy: 0.8125295706081439
Energy: 1.2422808465813078
Energy: 1.3854543594460076
Energy: 1.2422808465813078
Energy: 1.320743152425843
Energy: 1.2651482980586874
Energy: 0.7610391842032944
Energy: 1.2651482980586874
Energy: 0.7551258034415842
Energy: 0.7545307848228482
Energy: 1.037767972219206
Energy: 0.7545307848228482
Energy: 0.9326699743719209
Energy: 1.2650193675803791
Energy: 0.761186498400497
Energy: 1.265019367579418
Energy: 0.7600758437928395
Energy: 1.265233185533993
Energy: 0.7620421478069322
Energy: 1.265233185533032
Energy: 0.7194989711088382
Energy: 1.2655931348662361
Energy: 0.7608893714533715
Energy: 1.2655931348662361
Energy: 0.7608314414475301
Energy: 1.0026636520844783
Energy: 1.030108257264018
Energy: 1.0026636520844783
Energy: 0.9414300831979175
Energy: 1.0579314139785154
Energy: 0.7562883173520064
Energy: 1.0579314139785154
Energy: 0.7600985951661715
Energy: 1.2653776860897015
Energy: 1.21391800146829
Energy: 1.26537768608874
Energy: 0.7240919601583772
Energy: 1.2396759123571026
Energy: 0.8139300656525476
Energy: 1.2396759123561414
Energy: 0.7609265673584127
Energy: 1.0026311655543603
Energy: 1.1440450950181915
Energy: 1.002631165561089
Energy: 1.0554466619960008
Energy: 1.3436574217768593
Energy: 0.7563940149318014
Energy: 1.3436574217768593
Energy: 0.7600643397416961
Energy: 1.26508057449495
Energy: 1.0305602103831664
Energy: 1.26508057449495
Energy: 1.0323039982293485
Energy: 1.292044980645932
Energy: 0.7609390204163163
Energy: 1.292044980645932
Energy: 0.76097277309721
Energy: 1.0026699325004766
Energy: 0.7193275402188647
Energy: 1.0026699325004766
Energy: 1.011047620116337
Energy: 1.3432934189997392
Energy: 0.7641848398315356
Energy: 1.3432934189997392
Energy: 0.7602005892473028
Energy: 1.0575212343427225
Energy: 0.7172100300955243
Energy: 1.0575212343417613
Energy: 0.9794219489328874
Energy: 1.264322123827196
Energy: 0.7612142597853832
Energy: 1.2643221238281572
Energy: 0.8175619310518687
Energy: 1.23864526725624
Energy: 0.7241235304427293
Energy: 1.23864526725624
Energy: 1.1442699025148508
Energy: 1.3106144788623582
Energy: 0.7642572068399303
Energy: 1.3106144788623582
Energy: 0.7602075653232515
Energy: 1.3420992435478258
Energy: 0.7179705568995973
Energy: 1.3420992435478258
Energy: 0.7540161111849216
Energy: 1.2644324634997948
Energy: 0.7609366958427048
Energy: 1.2644324634997948
Energy: 0.7606272520623364
Energy: 1.2908972112438502
Energy: 1.0342749360842562
Energy: 1.290897211242889
Energy: 0.7193321152917572
Energy: 1.3100396102144267
Energy: 0.7592385227963351
Energy: 1.310039610215388
Energy: 0.7584335075942396
Energy: 1.3422333127245851
Energy: 1.0094941922297238
Energy: 1.342233312723624
Energy: 0.7238745893443651
Energy: 1.0576243291671321
Energy: 0.7612687157613958
Energy: 1.0576243291671321

minimum gb energy = 0.7172100300955243 eV
minimum distance =  2.15755398878249 Angstroms
sigma value = 41


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

Energy: 1.0614218312397923
Energy: 1.1138983840657875
Energy: 1.3538532705764952
Energy: 1.1138983840665755
Energy: 1.3001115688614302
Energy: 1.0958210192500137
Energy: 0.6695541470792187
Energy: 1.0958210192484377
Energy: 0.7001982270709404
Energy: 1.0818887126089463
Energy: 0.9090379989150819
Energy: 1.0818887126089463
Energy: 1.0045556986504718
Energy: 1.095656201687495
Energy: 0.6697292755315627
Energy: 1.095656201688283
Energy: 0.6659692322185454
Energy: 1.1331095100369
Energy: 0.6855951728871703
Energy: 1.1331095100369
Energy: 0.8244832620414541
Energy: 1.0952746776609894
Energy: 0.6696476314249782
Energy: 1.0952746776602011
Energy: 0.6688050269399517
Energy: 1.0959544818062286
Energy: 0.9431253364908578
Energy: 1.0959544818062286
Energy: 0.6445909709332732
Energy: 0.9092740945438683
Energy: 0.6666781890541231
Energy: 0.9092740945430802
Energy: 0.6717727415869891
Energy: 1.1711934834649007
Energy: 1.133438119548647
Energy: 1.1711934834656887
Energy: 0.8262458674704889
Energy: 1.0806255903444235
Energy: 0.7006993868346376
Energy: 1.0806255903444235
Energy: 0.6689051883609705
Energy: 1.0959217299341375
Energy: 1.162690662438949
Energy: 1.0959217299349255
Energy: 0.6476340907237003
Energy: 1.1116650940085124
Energy: 1.0584610582232583
Energy: 1.1116650940085124
Energy: 0.6715473248584148
Energy: 1.1783362097236212
Energy: 1.2266980056096206
Energy: 1.1783362097251973
Energy: 0.9432337046734992
Energy: 1.2300969241089046
Energy: 0.700755782519974
Energy: 1.2300969241089046
Energy: 0.6690916841436904
Energy: 1.0966391318331157
Energy: 0.999740980321379
Energy: 1.0966391318323274
Energy: 0.916539036503478
Energy: 1.1697527551730211
Energy: 0.6668151129770626
Energy: 1.1697527551745972
Energy: 0.6717181974266682
Energy: 1.1787943691699407
Energy: 0.9070149538838909
Energy: 1.1787943691699407
Energy: 0.9011650898172141
Energy: 1.2294838157129426
Energy: 0.6698856892961591
Energy: 1.2294838157129426
Energy: 0.668858151504331
Energy: 0.9091508754875295
Energy: 0.6447551405027218
Energy: 0.9091508754898937
Energy: 0.9130044180801539
Energy: 1.16961579834955
Energy: 0.6747213881503142
Energy: 1.16961579834955
Energy: 0.7032541689734472
Energy: 1.1791556379444017
Energy: 0.644437572568282
Energy: 1.1791556379444017
Energy: 1.162107755138278
Energy: 1.250208354819695
Energy: 0.6698748728200311
Energy: 1.250208354819695
Energy: 1.0568429233940233
Energy: 1.1112603684156914
Energy: 0.6475800143841602
Energy: 1.1112603684156914
Energy: 1.045675480448335
Energy: 1.176371801694828
Energy: 0.6750357070648094
Energy: 1.1763718016940399
Energy: 0.7030525624214079
Energy: 1.2272011831976806
Energy: 0.6453432541792128
Energy: 1.2272011831968925
Energy: 1.016127506413499
Energy: 1.2481498051481938
Energy: 0.6697582282805776
Energy: 1.2481498051481938
Energy: 0.6690401233842269
Energy: 1.1686656727849543
Energy: 0.916270731494732
Energy: 1.1686656727857423
Energy: 0.6655005328516519
Energy: 1.1770596436823904
Energy: 0.6752351326036012
Energy: 1.1770596436831786
Energy: 0.6718261280244024
Energy: 1.227600578633867
Energy: 0.9016480945488852
Energy: 1.227600578634655
Energy: 0.6446075199386008
Energy: 1.2168413201791566
Energy: 0.6726557068072648
Energy: 1.2168413201799448
Energy: 0.6743304761779957
Energy: 1.168727400860895
Energy: 0.9411551265430429
Energy: 1.168727400860895
Energy: 0.6473682693042359
Energy: 1.1773671570908966
Energy: 0.7066719249559372
Energy: 1.1773671570916846

minimum gb energy = 0.644437572568282 eV
minimum distance =  2.13565880289067 Angstroms
sigma value = 15


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

Energy: 0.960201256871011
Energy: 1.1057569573660975
Energy: 0.9787194068027307
Energy: 1.1057569573660975
Energy: 1.2878242444082233
Energy: 1.0399797493541905
Energy: 0.6264870285261741
Energy: 1.0399797493541905
Energy: 0.6536077535918727
Energy: 0.9850035049368998
Energy: 1.20201640470038
Energy: 0.9850035049368998
Energy: 1.2419450721716898
Energy: 1.0427122805325002
Energy: 0.6264600166774257
Energy: 1.0427122805325002
Energy: 0.6240492417251574
Energy: 1.1170395294985358
Energy: 0.6233590803470834
Energy: 1.1170395294985358
Energy: 0.9143826238479308
Energy: 1.0406778281573856
Energy: 0.6265842949815157
Energy: 1.0406778281573856
Energy: 0.6258780362327349
Energy: 0.9985827928787712
Energy: 0.8819669432907435
Energy: 0.9985827928781035
Energy: 0.7429750417023104
Energy: 0.9980309838808272
Energy: 0.6264984647053525
Energy: 0.9980309838801597
Energy: 0.6278818606026594
Energy: 1.1160539208941886
Energy: 1.0443671832049748
Energy: 1.1160539208948563
Energy: 0.5889620507927597
Energy: 1.040452374670811
Energy: 0.6246229225420526
Energy: 1.0404523746694754
Energy: 0.6259262137908662
Energy: 1.0407777902417172
Energy: 1.1048996375019933
Energy: 1.0407777902410495
Energy: 0.7425929449343095
Energy: 0.9849924292405201
Energy: 0.6545859643462347
Energy: 0.9849924292411877
Energy: 0.6282128518499308
Energy: 1.1077676628279176
Energy: 1.233646312963348
Energy: 1.1077676628272501
Energy: 0.5906061184330059
Energy: 1.102305725074191
Energy: 0.9578343159253652
Energy: 1.1023057250748587
Energy: 0.6262792079170962
Energy: 1.039897040156805
Energy: 1.1605349425292881
Energy: 1.0398970401561374
Energy: 0.8563292700285811
Energy: 0.9845164405163547
Energy: 0.6542564860703513
Energy: 0.9845164405163547
Energy: 0.6281400599531866
Energy: 1.1078919207286755
Energy: 1.098911722035242
Energy: 1.1078919207286755
Energy: 0.826045528741895
Energy: 1.1140235548212092
Energy: 0.6244532469385712
Energy: 1.1140235548212092
Energy: 0.6261501548479166
Energy: 1.0400949170693055
Energy: 0.9096032784929153
Energy: 1.0400949170706406
Energy: 0.8222997779212394
Energy: 1.0518156427753538
Energy: 0.6265420952127497
Energy: 1.0518156427733512
Energy: 0.6279566689018804
Energy: 1.0695359288580768
Energy: 0.8345054895832968
Energy: 1.0695359288567416
Energy: 0.8320883836553883
Energy: 1.113252830577167
Energy: 0.6303520235124583
Energy: 1.1132528305778346
Energy: 0.6260474867825024
Energy: 1.0395996601228141
Energy: 0.5889612673426216
Energy: 1.0395996601234818
Energy: 1.091618635557406
Energy: 1.0399911473718702
Energy: 0.6266317199231057
Energy: 1.0399911473718702
Energy: 0.6560065498848671
Energy: 1.0697911126187096
Energy: 0.5893612792811379
Energy: 1.0697911126187096
Energy: 1.0663068190603848
Energy: 1.118592630612514
Energy: 0.6303916922920566
Energy: 1.1185926306158518
Energy: 0.9569452085453487
Energy: 1.0988923279389695
Energy: 0.5907466287413293
Energy: 1.0988923279389695
Energy: 1.1617952788255588
Energy: 1.0439055302563858
Energy: 0.6268102200372683
Energy: 1.0439055302557183
Energy: 0.6555208153117766
Energy: 1.1371522537040226
Energy: 0.5976341052791212
Energy: 1.13715225370469
Energy: 0.940799579592579
Energy: 1.1171378481320573
Energy: 0.6304437664086489
Energy: 1.1171378481313896
Energy: 0.6260989456675179
Energy: 1.1104841467714248
Energy: 0.8255951998625859
Energy: 1.110484146769422
Energy: 0.9103297334695292
Energy: 1.0447133176955363
Energy: 0.6267956238744503
Energy: 1.0447133176962038
Energy: 0.6281209084968523
Energy: 1.1379403725822554
Energy: 0.8208318026362869
Energy: 1.1379403725829234
Energy: 0.6017985163375047
Energy: 1.0733426493758167
Energy: 0.6304703688319105
Energy: 1.0733426493758167
Energy: 0.6061233305337236
Energy: 1.1108317476077476
Energy: 0.8306155913218489
Energy: 1.1108317476084155
Energy: 0.5893686077764845
Energy: 1.0427019724573272
Energy: 0.6284321993379244
Energy: 1.0427019724559918
Energy: 0.6282303901799015
Energy: 1.1378768159482977
Energy: 1.0855360733239725
Energy: 1.1378768159482977

minimum gb energy = 0.5889612673426216 eV
minimum distance =  2.22684564352741 Angstroms
sigma value = 85


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

Energy: 0.9078809893020727
Energy: 1.0349178500763818
Energy: 0.6906801386485447
Energy: 1.0349178500763818
Energy: 1.273588651878375
Energy: 0.9794380394982771
Energy: 0.5735587668929828
Energy: 0.9794380394988562
Energy: 0.8675971344891676
Energy: 0.9256076569483858
Energy: 0.7436514799697613
Energy: 0.9256076569478067
Energy: 1.230947996762522
Energy: 0.9798509652370857
Energy: 0.5734094118681727
Energy: 0.9798509652370857
Energy: 0.6122321591703124
Energy: 0.888568224647359
Energy: 0.6891076871824852
Energy: 0.8885682246479379
Energy: 1.133822191312546
Energy: 0.9800697174888872
Energy: 0.5736813840203997
Energy: 0.9800697174888872
Energy: 0.5717655573801698
Energy: 0.9460590770080974
Energy: 0.7981831023915836
Energy: 0.9460590770080974
Energy: 0.8001541644923982
Energy: 0.9778896274532773
Energy: 0.5741288811238301
Energy: 0.9778896274532773
Energy: 0.5735000742242631
Energy: 0.905459606124874
Energy: 0.9450210255513162
Energy: 0.905459606124874
Energy: 0.6615228649029096
Energy: 0.946314328571619
Energy: 0.572225587581241
Energy: 0.946314328571619
Energy: 0.5743542813976023
Energy: 0.9801571639953423
Energy: 1.009048698732519
Energy: 0.9801571639953423
Energy: 0.5202926758917145
Energy: 0.9780915312835113
Energy: 0.6128040751018506
Energy: 0.9780915312829324
Energy: 0.5733263876324064
Energy: 0.9057366299800289
Energy: 1.1480144457177344
Energy: 0.9057366299800289
Energy: 0.6535051868965672
Energy: 0.9260646738477919
Energy: 0.8658559459473323
Energy: 0.9260646738477919
Energy: 0.5744504920994501
Energy: 0.9793998225967357
Energy: 1.149063266056445
Energy: 0.9793998225938404
Energy: 0.5208494838106603
Energy: 1.0261072764692685
Energy: 0.9062389848367781
Energy: 1.0261072764692685
Energy: 0.5735162080626581
Energy: 0.9054596551067186
Energy: 1.1976685818129598
Energy: 0.9054596551067186
Energy: 0.744687530252329
Energy: 0.9241571548642531
Energy: 0.8658635061247638
Energy: 0.9241571548642531
Energy: 0.5743780824730752
Energy: 0.9793204300207505
Energy: 1.0271207341721749
Energy: 0.9793204300207505
Energy: 0.7277753482746567
Energy: 1.0451858148685864
Energy: 0.6127651248910441
Energy: 1.0451858148685864
Energy: 0.5732942086989632
Energy: 0.9051733589230301
Energy: 0.9195387151591428
Energy: 0.9051733589230301
Energy: 0.720015891345684
Energy: 0.9765487406261479
Energy: 0.5723256835053054
Energy: 0.9765487406261479
Energy: 0.5748199977240508
Energy: 0.9773153848174109
Energy: 0.8008167647281139
Energy: 0.9773153848174109
Energy: 0.7372070092988356
Energy: 1.0489780320125899
Energy: 0.5734765123618119
Energy: 1.0489780320125899
Energy: 0.5737297688421127
Energy: 0.7703955269753744
Energy: 0.6618066355285954
Energy: 0.7703955269753744
Energy: 0.9743670093269671
Energy: 0.9770438757283584
Energy: 0.575868029457497
Energy: 0.9770438757277793
Energy: 0.6139863871423934
Energy: 0.9775570966286425
Energy: 0.5201063251114609
Energy: 0.9775570966286425
Energy: 0.9984229842045467
Energy: 1.0498631939972611
Energy: 0.5734545676541273
Energy: 1.0498631939978402
Energy: 0.8650197374863424
Energy: 0.9240016378659023
Energy: 0.6529407667502931
Energy: 0.9240016378659023
Energy: 1.1488056021960487
Energy: 0.9771977048399326
Energy: 0.5758675405522544
Energy: 0.9771977048393535
Energy: 0.9053758055195728
Energy: 1.0265477009959627
Energy: 0.5213644404555963
Energy: 1.0265477009959627
Energy: 1.0592267860370665
Energy: 1.0500631054835972
Energy: 0.5736103597133339
Energy: 1.0500631054835972
Energy: 0.8650993823462985
Energy: 0.9237952417732025
Energy: 0.5143265496969843
Energy: 0.9237952417737816
Energy: 1.0271253394746858
Energy: 0.9806688138936853
Energy: 0.5752278621494566
Energy: 0.9806688138960012
Energy: 0.6146454757794669
Energy: 1.0453571150056362
Energy: 0.7275492434148192
Energy: 1.0453571150056362
Energy: 0.8307710192181627
Energy: 1.049359481227854
Energy: 0.5736328476484428
Energy: 1.049359481227854
Energy: 0.5735258310474606
Energy: 0.9750303723899408
Energy: 0.7198720332337137
Energy: 0.9750303723893619
Energy: 0.8059026967598941
Energy: 0.9770994662530789
Energy: 0.5752625157896438
Energy: 0.977099466253658
Energy: 0.5744903274319332
Energy: 1.0453711157259713
Energy: 0.7384642273647859
Energy: 1.0453711157259713
Energy: 0.5395157779546212
Energy: 1.022828344583738
Energy: 0.574759603273466
Energy: 1.0228283445831592
Energy: 0.5725163199457881
Energy: 0.974881905363307
Energy: 0.9798611770932525
Energy: 0.974881905363307
Energy: 0.5200704282445443
Energy: 0.9771142572677523
Energy: 0.6163110916018648
Energy: 0.9771142572683312
Energy: 0.5746259550783178
Energy: 1.0452456650326278
Energy: 0.9981894552632196
Energy: 1.0452456650320487

minimum gb energy = 0.5143265496969843 eV
minimum distance =  2.23374189074202 Angstroms
sigma value = 113


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

Energy: 0.018677593034289296
Energy: 0.019161979174015117
Energy: 0.8504489322021523
Energy: 0.01916197917356999
Energy: 0.7764033830355377
Energy: 0.2722877093551789
Energy: 0.27193115868486495
Energy: 0.27228770935557456
Energy: 0.018677593034734423
Energy: 0.019161979174015117
Energy: 0.8504489322017073
Energy: 0.019161979173124868
Energy: 0.7764033830355377
Energy: 0.2722877093551789
Energy: 0.27193115868486495
Energy: 0.27228770935473373
Energy: 0.018677593034734423
Energy: 0.01916197917356999
Energy: 0.8504489322021523
Energy: 0.01916197917356999
Energy: 0.7764033830355377
Energy: 0.2722877093551789
Energy: 0.27193115868486495
Energy: 0.27228770935557456

minimum gb energy = 0.018677593034289296 eV
minimum distance =  2.53344906354793 Angstroms
sigma value = 1