Model name: model_name=Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.082927376031875
cohesive_energy=6.489023218313714
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.021127512284096858
Energy: -0.46156617018271173
Energy: 0.021127512283744786
Energy: -0.4615661701820076
Energy: 0.021127512283744786
Energy: -0.4615661701809905
Energy: 0.021127512283744786
Energy: -0.5218377926186112
Energy: 0.48290200346168893
Energy: -0.5218377926189632
Energy: 0.4829020034778451
Energy: -0.5218377926189632
Energy: 0.482902003806485
Energy: -0.5218377926186112
Energy: 0.6051912492628894
Energy: 0.012540901990132742
Energy: 0.4268415900198463
Energy: 0.012540902511082308
Energy: -0.8037539472019191
Energy: 0.012540905060476573
Energy: -0.8037597352391944
Energy: -0.5218377926186112
Energy: 0.48290200386770643
Energy: -0.5218377926186112
Energy: 0.48290200385565774
Energy: -0.5218377926189632
Energy: 0.4829020029352235
Energy: -0.5218377926196673
Energy: 0.021127512284409813
Energy: -0.4615661701809905
Energy: 0.021127512284096858
Energy: -0.46156617018130347
Energy: 0.021127512284409813
Energy: -0.4615661701816555
Energy: 0.021127512283744786
Energy: -0.5218377926189632
Energy: 0.4829020034730335
Energy: -0.5218377926189632
Energy: 0.48290200380679793
Energy: -0.5218377926189632
Energy: 0.48290200339870715
Energy: -0.5218377926196673

minimum gb energy = -0.8037597352391944 eV
minimum distance =  2.58751920069107 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.0679454433324267
Energy: 0.09104079582956325
Energy: 0.06791652848855206
Energy: 0.08381997323893609
Energy: 0.06793247774336726
Energy: 0.09091241901920462
Energy: 0.06791496944331671
Energy: -0.1269223351548432
Energy: -0.10772855195195409
Energy: -0.1264518289734535
Energy: -0.1078886127184742
Energy: -0.1265105546163998
Energy: -0.1078000009192191
Energy: -0.12692469251360217
Energy: -0.11378462918386595
Energy: -0.09238686444761357
Energy: -0.11413588760368286
Energy: -0.09197312458682236
Energy: -0.11426029357078775
Energy: -0.09197226467079976
Energy: -0.11412142014515823
Energy: -0.1492965183286499
Energy: -0.1276187732348968
Energy: -0.1491458704722714
Energy: -0.1276034391511688
Energy: -0.14935774965715948
Energy: -0.12768233059555198
Energy: -0.1493070002348792
Energy: -0.07960420990833575
Energy: -0.10361005643842747
Energy: -0.07962520542155888
Energy: -0.10358775871511733
Energy: -0.07931351685161595
Energy: -0.10357099049352819
Energy: -0.07922000377442527
Energy: -0.05378657370081649
Energy: -0.15880873790004896
Energy: -0.053847460465177514
Energy: -0.15886192595317103
Energy: -0.053774113080152966
Energy: -0.15882540178340096
Energy: -0.05377251767206005
Energy: 0.019569621798767412
Energy: 0.08030467539774497
Energy: 0.002567086965810586
Energy: 0.08035826478314224
Energy: 0.002599534117055782
Energy: 0.08034015492826169
Energy: 0.002555906022816667
Energy: -0.03229257852983261
Energy: -0.08594686870125172
Energy: -0.03229236152147947
Energy: -0.08640353059070618
Energy: -0.032305438309437245
Energy: -0.0859234699825637
Energy: -0.032311670488345434
Energy: -0.08634927273859695
Energy: -0.12395381492090272
Energy: -0.08632801823784322
Energy: -0.12390397345143127
Energy: -0.0858575613796376
Energy: -0.12434150572478264
Energy: -0.08585464474352236
Energy: -0.04786624013196993
Energy: -0.18757311323528925
Energy: -0.047869018913001375
Energy: -0.18757821114995415
Energy: -0.04728840555832503
Energy: -0.18756012122946128
Energy: -0.04785980201332756
Energy: -0.10288262428064704
Energy: -0.08442479256377726
Energy: -0.10288876332864748
Energy: -0.084047141851355
Energy: -0.10289291639390902
Energy: -0.08443424846620252
Energy: -0.10288794714472305
Energy: -0.021019424969323262
Energy: -0.08104456813711446
Energy: -0.02100694498180726
Energy: -0.08103213822093193
Energy: -0.02100360799961069
Energy: -0.08152539182258209
Energy: -0.021007625853927524
Energy: -0.11572100327624348
Energy: -0.08988757784507577
Energy: -0.11573661088005872
Energy: -0.0898817937824765
Energy: -0.11584687282460307
Energy: -0.08986608389187042
Energy: -0.11560387358499892
Energy: -0.05867601893119457
Energy: -0.10403710423757119
Energy: -0.05867481359337385
Energy: -0.10362215804267573
Energy: -0.05867418583626419
Energy: -0.10402132494647723
Energy: -0.05867023442715353
Energy: -0.1643146034614935
Energy: -0.0739263566377235
Energy: -0.16395839914470658
Energy: -0.07453633119125141
Energy: -0.16403465195431127
Energy: -0.07453168470963485
Energy: -0.16445407623925568
Energy: -0.08039473358305418
Energy: -0.07446598256351017
Energy: -0.08042023929496368
Energy: -0.07445595855588737
Energy: -0.08039492246377478
Energy: -0.07443548986659512
Energy: -0.08041426250093803
Energy: -0.1104318762901286
Energy: -0.06009227297184313
Energy: -0.11043992554749943
Energy: -0.060094061775551454
Energy: -0.11044822620874789
Energy: -0.06007214967911501
Energy: -0.11044276889885213
Energy: -0.05532550502803747
Energy: -0.010729058299718786
Energy: -0.055221635250517376
Energy: -0.010730997338761698
Energy: -0.05528131849313979
Energy: -0.010375023692618007
Energy: -0.05524892439374378
Energy: 0.06457914400111807
Energy: -0.021568765585105627
Energy: 0.06445861439679991
Energy: -0.021528268222262722
Energy: 0.06449176393940012
Energy: -0.021577257603216608
Energy: 0.06457791682037943
Energy: 0.04216873196113193
Energy: -0.11732747055680602
Energy: 0.04215042441428274
Energy: -0.11723538917926199
Energy: 0.0420964039253278
Energy: -0.11724499647296766
Energy: 0.04216316277981398
Energy: -0.15706353363782577
Energy: -0.21032516337376944
Energy: -0.1570258562573734
Energy: -0.21033703212081167
Energy: -0.15700540591769824
Energy: -0.20989604222893227
Energy: -0.15700548366268197
Energy: -0.04913983425097964
Energy: -0.2384038967838387
Energy: -0.04719620725399797
Energy: -0.23839584182603465
Energy: -0.048684977093458766
Energy: -0.23847265759547487
Energy: -0.04872860979924648
Energy: -0.04306265439852198
Energy: -0.13676710806434333
Energy: -0.04299735764971424
Energy: -0.13674102113542935
Energy: -0.0429981101124792
Energy: -0.13675515490496384
Energy: -0.043020323612783386
Energy: -0.08462696721932408
Energy: -0.044606721574272035
Energy: -0.084700521136852
Energy: -0.04460332074910466
Energy: -0.08464856899573255
Energy: -0.04458853635374295
Energy: -0.08465480932575249
Energy: 0.0404976282236572
Energy: 0.07236556894316437
Energy: 0.04049483112665396
Energy: 0.07193735365763307
Energy: 0.04008491323588173
Energy: 0.07182664796455285
Energy: 0.040462513010909654
Energy: -0.04089290495602478
Energy: -0.07144011479257843
Energy: -0.04091227821571464
Energy: -0.09402338728954107
Energy: -0.04091063992055613
Energy: -0.09377847059734291
Energy: -0.04091142571519495
Energy: -0.0741641310782442
Energy: -0.07931009243886836
Energy: -0.07352415391908194
Energy: -0.07926127341253303
Energy: -0.07423303177974078
Energy: -0.07929640348985521
Energy: -0.07419280588959151
Energy: -0.07133003430254646
Energy: -0.06878437603164984
Energy: -0.07104326530076459
Energy: -0.06839724624971201
Energy: -0.07132584902365882
Energy: -0.06877817436391503
Energy: -0.07133459692261479
Energy: -0.07612189474055106
Energy: -0.08794590046384625
Energy: -0.07610280442576459
Energy: -0.08792802308307401
Energy: -0.07603751769882432
Energy: -0.08794106571515366
Energy: -0.07604255516295981
Energy: -0.06282647353051568
Energy: -0.06226643415285471
Energy: -0.0627924528729748
Energy: -0.06224067917675638
Energy: -0.06282529904857985
Energy: -0.06271453237895634
Energy: -0.0628031711796437
Energy: -0.004031718120833751
Energy: 0.0877767025177687
Energy: -0.004003746600471172
Energy: 0.08780563044806336
Energy: -0.004005428135971051
Energy: 0.08814129809184355
Energy: -0.003998277667114683
Energy: -0.11175052680744758
Energy: -0.12277311944146428
Energy: -0.11174361608949203
Energy: -0.12276173643888164
Energy: -0.11173624850301173
Energy: -0.1227653044027876
Energy: -0.11131137417647623
Energy: -0.03733314876245438
Energy: -0.07258257868585646
Energy: -0.037331225916440634
Energy: -0.07253405900773688
Energy: -0.03730308788375395
Energy: -0.072609427809365
Energy: -0.03726432505771568
Energy: -0.0866385365189736
Energy: -0.043285292823193176
Energy: -0.08667781915703061
Energy: -0.043255594357937355
Energy: -0.08711976529910331
Energy: -0.04282645503599177
Energy: -0.08706751776561551
Energy: -0.07214347576246688
Energy: -0.1427430631334054
Energy: -0.07218332465607048
Energy: -0.1437794614404275
Energy: -0.07213970156863592
Energy: -0.14326761820459782
Energy: -0.07213298446919593
Energy: 0.03242000311015374
Energy: 0.05666447415492368
Energy: 0.0319948906469277
Energy: 0.05624631570879739
Energy: 0.03197481745091996
Energy: 0.05674189941184054
Energy: 0.03238162776492222
Energy: -0.09113767397322647
Energy: 0.07523185098961523
Energy: -0.09114100344739554
Energy: 0.07524689039150266
Energy: -0.09014497421601775
Energy: 0.07522687701127499
Energy: -0.09114222952670906
Energy: -0.04385995088854996
Energy: 0.04868305542854834
Energy: -0.043833211429560655
Energy: 0.04814780312006868
Energy: -0.04383813410063752
Energy: 0.04867009707414826
Energy: -0.043856697675453485
Energy: -0.07715492689290421
Energy: -0.10010719759597043
Energy: -0.07721052309092861
Energy: -0.10006749729810427
Energy: -0.07721725947318427
Energy: -0.1001057973827524
Energy: -0.07719664977180755
Energy: -0.03641364377139477
Energy: -0.1853426837910989
Energy: -0.03643422642981786
Energy: -0.18536663497266787
Energy: -0.03636959794179748
Energy: -0.1849812925987697
Energy: -0.03605387218845975
Energy: -0.09674118466700318
Energy: -0.09940374515098233
Energy: -0.09670652615898888
Energy: -0.09942924594027704
Energy: -0.09675567273251584
Energy: -0.09981031325484098
Energy: -0.09677279678025659
Energy: -0.015901124992782983
Energy: -0.007794098426796103
Energy: -0.015882837947856696
Energy: -0.007781337734924992
Energy: -0.015910500291520125
Energy: -0.0077700372696417365
Energy: -0.015813292152815996
Energy: -0.06277072825883749
Energy: -0.06529568266377396
Energy: -0.06279781800764256
Energy: -0.06450822396872131
Energy: -0.06273920310945937
Energy: -0.06566888982451143
Energy: -0.0627541846040205
Energy: -0.023225515982372942
Energy: -0.09762875759794047
Energy: -0.02317970778663474
Energy: -0.09766934181966996
Energy: -0.02314744632966984
Energy: -0.0974403762739946
Energy: -0.023180005264094746
Energy: -0.15633773677801846
Energy: -0.10411480321575896
Energy: -0.15635250079334503
Energy: -0.10406939359880965
Energy: -0.1558574832155494
Energy: -0.10407255853219334
Energy: -0.15633559826885224
Energy: -0.06601860360502088
Energy: -0.03947366152135343
Energy: -0.06551593206547274
Energy: -0.03903852684976402
Energy: -0.06501613896214829
Energy: -0.0394480058641472
Energy: -0.06550412109951043
Energy: -0.046377405695118716
Energy: -0.020775875059445004
Energy: -0.046376543126469244
Energy: -0.020781714174948302
Energy: -0.04674479929098402
Energy: -0.020663450816435315
Energy: -0.04672911807451739

minimum gb energy = -0.23847265759547487 eV
minimum distance =  2.47213815910842 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: -0.1308066102414535
Energy: 0.021094001598923433
Energy: 0.3641191978239934
Energy: 0.021094001601310364
Energy: -0.13080661024097615
Energy: 0.021094001597491273
Energy: 0.36411952805083747
Energy: 0.0170414829968991
Energy: -0.3906775256508154
Energy: -0.04407667074615342
Energy: -0.3814697875344285
Energy: 0.017041482996421716
Energy: -0.39067752564747377
Energy: -0.044076670745198644
Energy: -0.2276334568719475
Energy: -0.4237450495539553
Energy: -0.3038107483972468
Energy: -0.41170676930183847
Energy: -0.22763345687147007
Energy: -0.42374504955443265
Energy: -0.3038107483982016
Energy: -0.44437045939184977
Energy: -0.17036140902256944
Energy: -0.4443704593932819
Energy: -0.09325198328363904
Energy: -0.44437045939280445
Energy: -0.17036140902256944
Energy: -0.4443704593947141
Energy: -0.3996794880052401
Energy: -0.30514937147812343
Energy: -0.39967948800619496
Energy: -0.30915214683948117
Energy: -0.3996794880076271
Energy: -0.30514937148146515
Energy: -0.3996794880057175
Energy: -0.4100640988754748
Energy: -0.17007836628352307
Energy: -0.41006409886974615
Energy: -0.1700783662825683
Energy: -0.41006409887738443
Energy: -0.17007836628447784
Energy: -0.41006409887117834
Energy: -0.3953599545449196
Energy: 0.03038007903373486
Energy: -0.3953599545449196
Energy: 0.030380079032302696
Energy: -0.3953599545434875
Energy: 0.03038007903659918
Energy: -0.39535995454301004
Energy: -0.3949908009632411
Energy: 0.03375571949715085
Energy: -0.4267485569858796
Energy: -0.1828852869971579
Energy: -0.39499080096658273
Energy: 0.03375571950096995
Energy: -0.4267485569887439
Energy: -0.3896485999479629
Energy: -0.373805687749421
Energy: -0.403514108528351
Energy: -0.14348985076320905
Energy: -0.3896485999455761
Energy: -0.3738056877613557
Energy: -0.403514108528351
Energy: -0.39304714722617873
Energy: -0.25173297811840134
Energy: -0.4636625876086895
Energy: -0.2517329781203109
Energy: -0.393047147226656
Energy: -0.25173297811983353
Energy: -0.463662587615373
Energy: -0.13302914364879226
Energy: -0.13603943582616004
Energy: -0.27550605892517605
Energy: -0.1360394358271148
Energy: -0.13302914365165658
Energy: -0.1360394358275922
Energy: -0.2755060589242213
Energy: -0.45372013114669213
Energy: -0.43599647818469006
Energy: -0.45372013115098864
Energy: -0.43599647818707693
Energy: -0.4537201311505112
Energy: -0.4359964781904187
Energy: -0.4537201311443052
Energy: -0.04067737919374417
Energy: -0.4023346471169294
Energy: -0.040677379193266784
Energy: -0.40233464711597466
Energy: -0.04067737919517632
Energy: -0.40233464711597466
Energy: -0.040677379190879846
Energy: 0.36411913645980015
Energy: 0.021094001598446044
Energy: 0.3641210510112084
Energy: 0.021094001599878204
Energy: 0.3641201537624073
Energy: 0.021094001597013884
Energy: 0.3641200273955531
Energy: -0.044076670745198644
Energy: -0.42961697986180214
Energy: -0.04407667074567603
Energy: -0.4261129585144225
Energy: -0.04407667074615342
Energy: -0.4296169798613248
Energy: -0.04407667074567603
Energy: -0.18887769520362657
Energy: -0.4260662582212468
Energy: -0.2266554449212864
Energy: -0.41883746502076125
Energy: -0.1888776952069683
Energy: -0.42606625821599553
Energy: -0.2266554449212864
Energy: -0.4443704593937593
Energy: 0.1170899333388886
Energy: -0.4443704593923271
Energy: 0.11609375073529804
Energy: -0.44437045939757835
Energy: 0.11708993333697905
Energy: -0.4443704593932819
Energy: -0.3996794880052401
Energy: -0.36035274041857035
Energy: -0.3996794880057175
Energy: -0.36021860983263054
Energy: -0.39967948800619496
Energy: -0.3603527404157061
Energy: -0.3996794880042854
Energy: -0.4100640988764296
Energy: -0.17007836628495523
Energy: -0.4100640988754748
Energy: -0.1700783662854326
Energy: -0.41006409887881656
Energy: -0.1700783662868648
Energy: -0.410064098868314
Energy: -0.39535995455160305
Energy: 0.03038007903516702
Energy: -0.39535995455160305
Energy: 0.030380079031347925
Energy: -0.39535995454921613
Energy: 0.03038007903468963
Energy: -0.39535995455064826
Energy: -0.3806383040721285
Energy: 0.03398159650129928
Energy: -0.4372393301143504
Energy: 0.029476065137479416
Energy: -0.38063830407451554
Energy: 0.03398159650273144
Energy: -0.43723933011530525
Energy: -0.42072260818715035
Energy: -0.3744338461484886
Energy: -0.4114099130380479
Energy: -0.03341093065104964
Energy: -0.4207226081818991
Energy: -0.3744338461437147
Energy: -0.4114099130380479
Energy: -0.29189934802829226
Energy: -0.251732978117924
Energy: -0.2913401298755074
Energy: -0.25173297811983353
Energy: -0.2918993480311566
Energy: -0.2517329781188788
Energy: -0.2913401298778943
Energy: -0.3968183348665863
Energy: -0.13603943582854697
Energy: -0.3956063523743361
Energy: -0.1360394358280696
Energy: -0.39681833486563145
Energy: -0.13603943582950176
Energy: -0.3956063523714718
Energy: -0.45372013114526
Energy: -0.43599647818469006
Energy: -0.45372013114621473
Energy: -0.4359964781823031
Energy: -0.453720131151466
Energy: -0.43599647818516746
Energy: -0.4537201311476469
Energy: 0.01514267947124114
Energy: -0.402334647118839
Energy: -0.040677379195653715
Energy: -0.40233464711597466
Energy: 0.015142679473150688
Energy: -0.40233464711549727
Energy: -0.040677379193266784
Energy: -0.13080661024002135
Energy: 0.021094001598446044
Energy: 0.36411944207731817
Energy: 0.02109400160035559
Energy: -0.13080661024097615
Energy: 0.02109400159940082
Energy: 0.3641218706346376
Energy: 0.0170414829968991
Energy: -0.3906775256489059
Energy: -0.044076670746630804
Energy: -0.3814697875344285
Energy: 0.01704148299451217
Energy: -0.3906775256508154
Energy: -0.04407667074710819
Energy: -0.22763345687003791
Energy: -0.4237450495553875
Energy: -0.30381074840297545
Energy: -0.4117067693008837
Energy: -0.22763345687003791
Energy: -0.4237450495549101
Energy: -0.3038107484015433
Energy: -0.4443704593985332
Energy: -0.17036140902447897
Energy: -0.4443704593932819
Energy: -0.09325198328268428
Energy: -0.44437045940044273
Energy: -0.17036140902591113
Energy: -0.44437045939710107
Energy: -0.399679488003808
Energy: -0.3051493714757365
Energy: -0.3996794880052401
Energy: -0.30915214683995856
Energy: -0.3996794880052401
Energy: -0.3051493714766913
Energy: -0.3996794880033306
Energy: -0.41006409887117834
Energy: -0.17007836628304568
Energy: -0.41006409887213313
Energy: -0.17007836628447784
Energy: -0.41006409887881656
Energy: -0.1700783662863874
Energy: -0.41006409887786177
Energy: -0.3953599545420553
Energy: 0.030380079032780085
Energy: -0.3953599545444422
Energy: 0.030380079033257467
Energy: -0.3953599545473065
Energy: 0.030380079036121794
Energy: -0.39535995454396483
Energy: -0.3949908009684923
Energy: 0.03375571949715085
Energy: -0.4267485569896987
Energy: -0.1828852869962031
Energy: -0.39499080096610534
Energy: 0.03375571950096995
Energy: -0.42674855698922126
Energy: -0.38964859994987255
Energy: -0.373805687728416
Energy: -0.40351410852787367
Energy: -0.14348985076368642
Energy: -0.3896485999474856
Energy: -0.37380568772602907
Energy: -0.4035141085326475
Energy: -0.3930471472271334
Energy: -0.251732978117924
Energy: -0.4636625876063026
Energy: -0.2517329781203109
Energy: -0.39304714722856554
Energy: -0.25173297811983353
Energy: -0.46366258760725737
Energy: -0.13302914365261134
Energy: -0.1360394358280696
Energy: -0.27550605892517605
Energy: -0.1360394358280696
Energy: -0.1330291436530887
Energy: -0.13603943582997916
Energy: -0.27550605892183433
Energy: -0.45372013114860166
Energy: -0.4359964781865996
Energy: -0.4537201311476469
Energy: -0.43599647818707693
Energy: -0.45372013115003385
Energy: -0.4359964781880318
Energy: -0.45372013114907905
Energy: -0.040677379193266784
Energy: -0.402334647118839
Energy: -0.040677379195653715
Energy: -0.40233464712027117
Energy: -0.040677379196608486
Energy: -0.402334647118839
Energy: -0.04067737919231201
Energy: 0.36412064296478286
Energy: 0.02109400159940082
Energy: 0.36411900172236134
Energy: 0.021094001601310364
Energy: 0.36411890476187475
Energy: 0.021094001598446044
Energy: 0.36412043397800736
Energy: -0.044076670745198644
Energy: -0.4296169798608474
Energy: -0.04407667074567603
Energy: -0.4261129585144225
Energy: -0.04407667074567603
Energy: -0.4296169798608474
Energy: -0.04407667074567603

minimum gb energy = -0.463662587615373 eV
minimum distance =  2.54901383123494 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.5456345257761914
Energy: 0.7180897104443105
Energy: 0.5185561337209039
Energy: 0.5860547138441294
Energy: 0.5456345257750891
Energy: 0.7180897104437592
Energy: 0.5185561337209039
Energy: 0.29375433914308474
Energy: 0.3055054813246522
Energy: 0.23177267250271488
Energy: 0.3186517831550609
Energy: 0.29375433914308474
Energy: 0.30550548132740846
Energy: 0.2317726725038174
Energy: 0.30125717829023185
Energy: 0.40640837882722425
Energy: 0.3011912363735654
Energy: 0.4080294066291192
Energy: 0.30125717829133436
Energy: 0.40640837882722425
Energy: 0.3011912363724629
Energy: 0.43064194496339364
Energy: 0.5265767997140332
Energy: 0.3770344018968142
Energy: 0.5265767997145843
Energy: 0.4306419449639448
Energy: 0.5265767997140332
Energy: 0.3770344018968142
Energy: 0.6141231815813554
Energy: 0.5410461599991792
Energy: 0.5675952966783805
Energy: 0.5410461600002817
Energy: 0.6141231815813554
Energy: 0.5410461599997305
Energy: 0.5675952966783805
Energy: 0.2769338147716846
Energy: 0.49852294171679906
Energy: 0.2769338147716846
Energy: 0.49956039112220035
Energy: 0.2769338147711334
Energy: 0.49852294171735034
Energy: 0.2769338147711334
Energy: 0.2692594002219993
Energy: 0.490938969603986
Energy: 0.26925940022144806
Energy: 0.47623948070388267
Energy: 0.2692594002203456
Energy: 0.4909389696050884
Energy: 0.26925940022144806
Energy: 0.6925430613665884
Energy: 0.5582157911095277
Energy: 0.6925430613665884
Energy: 0.5582157911106301
Energy: 0.6925430613676908
Energy: 0.5582157911111814
Energy: 0.6925430613665884
Energy: 0.4677048366996947
Energy: 0.5280419947086697
Energy: 0.4677048366996947
Energy: 0.5280419947092209
Energy: 0.46770483669859225
Energy: 0.5280419947081185
Energy: 0.4677048366974897
Energy: 0.2603430535428214
Energy: 0.3245743319960264
Energy: 0.2602612388213679
Energy: 0.32483751818224954
Energy: 0.26034305354171894
Energy: 0.32457433199657765
Energy: 0.26026123882081664
Energy: 0.2637497457121585
Energy: 0.47917988878932505
Energy: 0.2640114416632072
Energy: 0.4686398815830154
Energy: 0.263749745711056
Energy: 0.4791798887882225
Energy: 0.26401144166430973
Energy: 0.5841563344581611
Energy: 0.5674022530292879
Energy: 0.5841563344581611
Energy: 0.5674022530270829
Energy: 0.5841563344581611
Energy: 0.5674022530276341
Energy: 0.5841563344592635
Energy: 0.4029270501211414
Energy: 0.3554644939402912
Energy: 0.4029270501195127
Energy: 0.35546449393974
Energy: 0.40292705012061525
Energy: 0.3554644939402912
Energy: 0.4029270501216926
Energy: 0.22140163644059707
Energy: 0.2010743196620307
Energy: 0.22140163644004585
Energy: 0.20107431966147943
Energy: 0.2214016364411483
Energy: 0.2010743196620307
Energy: 0.2214016364411483
Energy: 0.3778564780436517
Energy: 0.27041771448104335
Energy: 0.27737101708753575
Energy: 0.2815613719779322
Energy: 0.3778564780453054
Energy: 0.27041771448159463
Energy: 0.27737101708808704
Energy: 0.5306558898391629
Energy: 0.5807413888043059
Energy: 0.47489894569604363
Energy: 0.5807413888059596
Energy: 0.5306558898413678
Energy: 0.5807413888059596
Energy: 0.4748989456965948
Energy: 0.28182045931983335
Energy: 0.27688989317521295
Energy: 0.31798571142844784
Energy: 0.3172133948839435
Energy: 0.2818204593187309
Energy: 0.2768898931763154
Energy: 0.3179857114306528
Energy: 0.31004180862645453
Energy: 0.3880635794331832
Energy: 0.3216003349511582
Energy: 0.3995624496143699
Energy: 0.3100418086259033
Energy: 0.38806357943591435
Energy: 0.32160033495060697
Energy: 0.5190316560558976
Energy: 0.32976895422634334
Energy: 0.5190316560558976
Energy: 0.3393403365704608
Energy: 0.4388641681893039
Energy: 0.3297689542257921
Energy: 0.5077519827583761
Energy: 0.5117017294457691
Energy: 0.4697738044618675
Energy: 0.5117017294446917
Energy: 0.505306561616085
Energy: 0.5117017294468714
Energy: 0.46977380446296996
Energy: 0.5117017294452177
Energy: 0.22674769109406223
Energy: 0.24431387598907778
Energy: 0.22674769109406223
Energy: 0.24431387598907778
Energy: 0.22674769109461346
Energy: 0.24431387598907778
Energy: 0.22674769109406223
Energy: 0.2904652139375968
Energy: 0.40117934698992763
Energy: 0.29046521393814795
Energy: 0.4011793469893764
Energy: 0.2904652139364943
Energy: 0.4011793469904789
Energy: 0.2904652139375968
Energy: 0.589641409377825
Energy: 0.6393065279074368
Energy: 0.5283565032010633
Energy: 0.6023843995260235
Energy: 0.5896414093772738
Energy: 0.6393065279074368
Energy: 0.5283565032021657
Energy: 0.3743776401025444
Energy: 0.5401792641575335
Energy: 0.382843472173107
Energy: 0.5294163177015974
Energy: 0.3743776401025444
Energy: 0.5401792641575335
Energy: 0.382843472173107
Energy: 0.2690237175723167
Energy: 0.39506736761740835
Energy: 0.2690820263781265
Energy: 0.39546708144662934
Energy: 0.26902371757286797
Energy: 0.3950673676163059
Energy: 0.2690820263781265
Energy: 0.4520415444598116
Energy: 0.4106752330999002
Energy: 0.5113631583844007
Energy: 0.3976969209559874
Energy: 0.4520415444598116
Energy: 0.4106752330999002
Energy: 0.5113631583844007
Energy: 0.4532422144455762
Energy: 0.5867508134194646
Energy: 0.41753416246947067
Energy: 0.5867508134200157
Energy: 0.4532422144461275
Energy: 0.5867508134200157
Energy: 0.41753416246947067
Energy: 0.39924062724466575
Energy: 0.5175328481808595
Energy: 0.3992406272441145
Energy: 0.5185002878744901
Energy: 0.3992406272435633
Energy: 0.5175328481786545
Energy: 0.3992406272441145
Energy: 0.2577456194212161
Energy: 0.19300906278250324
Energy: 0.25774561942286983
Energy: 0.193009062781952
Energy: 0.2577456194217673
Energy: 0.193009062781952
Energy: 0.2577456194217673
Energy: 0.42051263247828663
Energy: 0.34176340385481935
Energy: 0.4205126324777354
Energy: 0.34176340385481935
Energy: 0.4205126324793892
Energy: 0.3417634038553706
Energy: 0.42051263247828663
Energy: 0.6342966996668898
Energy: 0.5760330835233967
Energy: 0.6342966996663385
Energy: 0.5760330835267041
Energy: 0.6342966996663385
Energy: 0.5760330835239479
Energy: 0.6298357440446319
Energy: 0.27079293761378265
Energy: 0.46627834465394785
Energy: 0.27087905462675615
Energy: 0.4666173378161311
Energy: 0.270792937614334
Energy: 0.46627834465394785
Energy: 0.27087905462730744
Energy: 0.2592495747470812
Energy: 0.2825106475377601
Energy: 0.25925466536708375
Energy: 0.28277157964870203
Energy: 0.25924957474653
Energy: 0.2825106475377601
Energy: 0.2592546653687375
Energy: 0.4141491385845502
Energy: 0.4301509724158072
Energy: 0.4141491385845502
Energy: 0.43015097241525585
Energy: 0.41414913858344765
Energy: 0.4301509724158072
Energy: 0.41414913858510144
Energy: 0.4233456538994468
Energy: 0.5332184171664532
Energy: 0.5188361918968682
Energy: 0.4098004592914538
Energy: 0.42334565389834433
Energy: 0.5332184171686581
Energy: 0.5188361918968682
Energy: 0.2164022487929489
Energy: 0.201846198242425
Energy: 0.21640224879460263
Energy: 0.20184619824297623
Energy: 0.2164022487918464
Energy: 0.2018461982413225
Energy: 0.2164022487918464

minimum gb energy = 0.193009062781952 eV
minimum distance =  2.50728011941812 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.25411083522389505
Energy: 0.21244634412197788
Energy: 0.25411084916137594
Energy: 0.212446344123279
Energy: 0.2541108270095823
Energy: 0.21244634412262844
Energy: 0.2541108170460095
Energy: 0.16833462033043517
Energy: 0.05077106627273006
Energy: 0.16833462033043517
Energy: 0.0507710662740312
Energy: 0.16833462032978458
Energy: 0.05077106627142892
Energy: 0.16833462032978458
Energy: 0.2449360339672806
Energy: 0.13047565454755225
Energy: 0.24493603396858168
Energy: 0.1304756545482028
Energy: 0.24493603396858168
Energy: 0.13047565454885338
Energy: 0.24493603396858168
Energy: 0.14193952197174917
Energy: 0.02963012107378361
Energy: 0.14193952197174917
Energy: 0.029630121072482474
Energy: 0.14193952197174917
Energy: 0.029630121073133044
Energy: 0.14193952197239973
Energy: 0.19001302991508007
Energy: -0.06296601441542153
Energy: 0.19001302991442948
Energy: -0.06296601441737325
Energy: 0.19001302991442948
Energy: -0.06296601441737325
Energy: 0.19001302991638122
Energy: 0.11884293795403743
Energy: 0.09321691953215552
Energy: 0.11884293795208573
Energy: 0.09321691953215552
Energy: 0.11884293795143516
Energy: 0.09321691953475779
Energy: 0.11884293795013402
Energy: 0.07435716419612845
Energy: 0.11938782789473762
Energy: 0.12687338760811004
Energy: 0.1193878278953882
Energy: 0.12687338760941116
Energy: 0.11938782789473762
Energy: 0.2504402544038593
Energy: 0.14333513408908202
Energy: 0.08947213080168587
Energy: 0.14333513408843143
Energy: 0.08947213080168587
Energy: 0.14333513409038315
Energy: 0.08947213080298701
Energy: 0.14333513409168427
Energy: 0.06400429355749628
Energy: -0.00025943281019809387
Energy: 0.06400429355619515
Energy: -0.0002594328128003673
Energy: 0.06400429355619515
Energy: -0.0002594328114992306
Energy: 0.06400429355814684
Energy: 0.2101355729322187
Energy: 0.22653130712494313
Energy: 0.21013557293417043
Energy: 0.22653130713209937
Energy: 0.21013557293156812
Energy: 0.22653130712429254
Energy: 0.21013557293091759
Energy: 0.3147116861075015
Energy: 0.12890327515917283
Energy: 0.13413155696390872
Energy: 0.12890327516177508
Energy: 0.1714694529037291
Energy: 0.12890327516047392
Energy: 0.17146945290568083
Energy: 0.20896603617324583
Energy: 0.11330819499704506
Energy: 0.20896603617259527
Energy: 0.11330819499769564
Energy: 0.20896603617324583
Energy: 0.11330819499704506
Energy: 0.20896603617324583
Energy: 0.07972316504263383
Energy: 0.10148252160877874
Energy: 0.07972316504263383
Energy: 0.10148252160812817
Energy: 0.0797231650432844
Energy: 0.10148252160812817
Energy: 0.07972316504198326
Energy: 0.20894380483428474
Energy: 0.030944007008925203
Energy: 0.20894380483552674
Energy: 0.030944007010226336
Energy: 0.20894380483552674
Energy: 0.030944007010226336
Energy: 0.20894380483428474
Energy: 0.08017710365771595
Energy: 0.15409930236333816
Energy: 0.08017710365511366
Energy: 0.15409930235878416
Energy: 0.08017710365576423
Energy: 0.15409930235943475
Energy: 0.09894495050776998
Energy: 0.20877204424828996
Energy: -0.006201133293300923
Energy: 0.2087720442508922
Energy: -0.006201133293951491
Energy: 0.2087720442508922
Energy: -0.006201133293300923
Energy: 0.2087720442495911
Energy: 0.07613276425112507
Energy: 0.08950667889334242
Energy: 0.07613276422510235
Energy: 0.08950667889334242
Energy: 0.07613276428365348
Energy: 0.0895066788913907
Energy: 0.0761327642218495
Energy: 0.036952177052417025
Energy: -0.006040887708304299
Energy: 0.03695217704981475
Energy: -0.006040887709605435
Energy: 0.036952177050465315
Energy: -0.006040887708954868
Energy: 0.036952177050465315
Energy: 0.1649818238459971
Energy: 0.09099163357819899
Energy: 0.16498182384794882
Energy: 0.0909916335801507
Energy: 0.16498182384729823
Energy: 0.0909916335821024
Energy: 0.16498182384794882
Energy: 0.2100814580069435
Energy: 0.23054840477716212
Energy: 0.2100814580069435
Energy: 0.23054840477716212
Energy: 0.21008145800824468
Energy: 0.230548404775861
Energy: 0.21008145801019637
Energy: 0.1964160170044902
Energy: 0.02731602369352527
Energy: 0.1964160170051408
Energy: 0.02731602369222413
Energy: 0.19641601699798458
Energy: 0.027316023691573564
Energy: 0.1964160169869249
Energy: 0.21657173334889923
Energy: 0.1132940485997253
Energy: 0.21657173334889923
Energy: 0.11329404860037587
Energy: 0.21657173334889923
Energy: 0.11329404860232759
Energy: 0.21657173334824872
Energy: 0.19876978384548133
Energy: 0.03610942487027593
Energy: 0.1987697838441802
Energy: 0.036109424868974796
Energy: 0.1987697838019524
Energy: 0.03610942487027593
Energy: 0.19876978382921714
Energy: 0.18921712721683964
Energy: 0.16535050800405335
Energy: 0.18921712721683964
Energy: 0.16535050800535447
Energy: 0.18921712721814077
Energy: 0.1653505080073062
Energy: 0.18921712721618908
Energy: 0.11539935686738302
Energy: -0.05260571334802515
Energy: 0.11539935686673246
Energy: -0.05260571334802515
Energy: 0.11539935686868416
Energy: -0.05260571334932629
Energy: 0.11539935686738302
Energy: 0.26739567666198355
Energy: 0.11492808285385434
Energy: 0.26739567666198355
Energy: 0.11492808285450493
Energy: 0.2673956766639353
Energy: 0.11492808285385434
Energy: 0.26739567666198355
Energy: 0.1517579146017391
Energy: -0.011742695763841769
Energy: 0.1517579146017391
Energy: -0.011742695764492338
Energy: 0.15175791460304025
Energy: -0.011742695764492338
Energy: 0.15175791460238966
Energy: 0.24492720640516505
Energy: -0.016118277367699326
Energy: 0.24492720640386392
Energy: -0.016118277368349896
Energy: 0.2449272064045145
Energy: -0.016118277369000462
Energy: 0.2449272064045145
Energy: 0.25411081931418655
Energy: 0.21244634412132732
Energy: 0.2541108226143425
Energy: 0.21244634412197788
Energy: 0.254110884344113
Energy: 0.21244634412132732
Energy: 0.2541108310829683
Energy: 0.16833462032848348
Energy: 0.050771066270778355
Energy: 0.16833462032913404
Energy: 0.05077106627207949
Energy: 0.16833462032848348
Energy: 0.05077106627207949
Energy: 0.16833462032718233

minimum gb energy = -0.06296601441737325 eV
minimum distance =  2.48430349727641 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.5065092201069511
Energy: 0.6624011732124437
Energy: 0.5065092200990535
Energy: 0.6627026706082325
Energy: 0.5065092201022126
Energy: 0.662376826057329
Energy: 0.5065092200958945
Energy: 0.3685450877141939
Energy: 0.37094334281714036
Energy: 0.36856180765249785
Energy: 0.3709432288974856
Energy: 0.36853941025334064
Energy: 0.37083973077948734
Energy: 0.3685128727760475
Energy: 0.5281669756433326
Energy: 0.5483992245249417
Energy: 0.5281703772250411
Energy: 0.5484005072291807
Energy: 0.5279668504915522
Energy: 0.5495170119404362
Energy: 0.5281726893467766
Energy: 0.2344811190870819
Energy: 0.3163586850697324
Energy: 0.23447953000674407
Energy: 0.31644081425405035
Energy: 0.2344784464878487
Energy: 0.31620224692222987
Energy: 0.2344816962961295
Energy: 0.3679237355037103
Energy: 0.3538678087483643
Energy: 0.36819810908048095
Energy: 0.3538678087617902
Energy: 0.36818311642682416
Energy: 0.3538678087491541
Energy: 0.3679345520726711
Energy: 0.22716693316612893
Energy: 0.46227205981205555
Energy: 0.227166933122728
Energy: 0.46227206404014365
Energy: 0.2271669331945603
Energy: 0.4622721344144043
Energy: 0.22716693313220512
Energy: 0.23965329704787663
Energy: 0.4230418388175889
Energy: 0.23965330363472664
Energy: 0.423083644480057
Energy: 0.23965329985421713
Energy: 0.42314825514455645
Energy: 0.23965329987475087
Energy: 0.38051885518954626
Energy: 0.33881529680826766
Energy: 0.3804916386046679
Energy: 0.3388057651775615
Energy: 0.3805136301928807
Energy: 0.3388234932563652
Energy: 0.3805171992201948
Energy: 0.39048942056788555
Energy: 0.3387494329476569
Energy: 0.3902745975807684
Energy: 0.3389451585898313
Energy: 0.390344826228072
Energy: 0.33885916587639375
Energy: 0.3902782280753933
Energy: 0.2300993864914733
Energy: 0.46463868272025427
Energy: 0.23009938649226305
Energy: 0.46465229151871423
Energy: 0.23009938648989378
Energy: 0.4646367865201864
Energy: 0.23009938670460078
Energy: 0.23917432672236208
Energy: 0.39790973420058456
Energy: 0.23917432672157232
Energy: 0.3979097341982153
Energy: 0.23917432672078257
Energy: 0.3979097341982153
Energy: 0.23917432672078257
Energy: 0.36727333546162827
Energy: 0.3714447048046004
Energy: 0.3670080745112472
Energy: 0.3714290308519537
Energy: 0.36699288542725306
Energy: 0.3714674159245174
Energy: 0.3670108009963463
Energy: 0.23398252751555396
Energy: 0.3625546971400966
Energy: 0.23399755940287406
Energy: 0.36206153808441266
Energy: 0.2337829207104979
Energy: 0.3620773447186125
Energy: 0.23400903319624636
Energy: 0.5447504546677981
Energy: 0.5278500053827008
Energy: 0.5447670037668259
Energy: 0.5278411007609408
Energy: 0.5447585813226472
Energy: 0.5278546116292278
Energy: 0.5447490079392662
Energy: 0.4379493660337772
Energy: 0.36554283601509213
Energy: 0.437980473289243
Energy: 0.3655423528752243
Energy: 0.4379812568159568
Energy: 0.3655455743555305
Energy: 0.43761101577036776
Energy: 0.48586140569171377
Energy: 0.6490741140876917
Energy: 0.4858607955564215
Energy: 0.6490740784553343
Energy: 0.485860759385663
Energy: 0.6490740752005895
Energy: 0.4858577461633917
Energy: 0.3836691241254346
Energy: 0.334580125535753
Energy: 0.3835806868565853
Energy: 0.3345279366048052
Energy: 0.3836501127652929
Energy: 0.33455342835774393
Energy: 0.38366031165693243
Energy: 0.5346483430799356
Energy: 0.5278219044327158
Energy: 0.5346492342884205
Energy: 0.5280106367103682
Energy: 0.5346482466662096
Energy: 0.5278229531749588
Energy: 0.5346482246835261
Energy: 0.3781114392057642
Energy: 0.32436841551790885
Energy: 0.3782988036776872
Energy: 0.32409447750015347
Energy: 0.3781069549009153
Energy: 0.3241469631914052
Energy: 0.3781099150432708
Energy: 0.39208445027160604
Energy: 0.3493251225384475
Energy: 0.39203226033967326
Energy: 0.34932520128599537
Energy: 0.39205903911418183
Energy: 0.3493251152403468
Energy: 0.39204045148377825
Energy: 0.2274742052393599
Energy: 0.4727186541559503
Energy: 0.22723554457958534
Energy: 0.4727186541535811
Energy: 0.22722421271413318
Energy: 0.47271865415437087
Energy: 0.2274949044357425
Energy: 0.24061203602787665
Energy: 0.5276277716036443
Energy: 0.24061203565765868
Energy: 0.5276288458335257
Energy: 0.2406120354366336
Energy: 0.5276190290002589
Energy: 0.24061203792958297
Energy: 0.37826356434216496
Energy: 0.3433664521567461
Energy: 0.37848223584377105
Energy: 0.34354084150096087
Energy: 0.3782298795008039
Energy: 0.34355340150745906
Energy: 0.3782671559410004
Energy: 0.21744297345498373
Energy: 0.3632740389496746
Energy: 0.21749079955694606
Energy: 0.36326570156828797
Energy: 0.21744426823558685
Energy: 0.3632273638657827
Energy: 0.21744497774728228
Energy: 0.23014921611137448
Energy: 0.3669535423037149
Energy: 0.23015449741265373
Energy: 0.3669458297170028
Energy: 0.2302587069274687
Energy: 0.36691642052064716
Energy: 0.23014999879107073

minimum gb energy = 0.21744297345498373 eV
minimum distance =  2.53243436370578 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: -0.14900028170769655
Energy: 0.030253434264034415
Energy: -0.1490080972554535
Energy: 0.03023838831362443
Energy: -0.1484154898099064
Energy: 0.030239652598076743
Energy: -0.14841713331777093
Energy: -0.19017195884249918
Energy: -0.40757820706562115
Energy: -0.19017587212565887
Energy: -0.40757820706738423
Energy: -0.19000825912483804
Energy: -0.40757820706690345
Energy: -0.19017544338487052
Energy: -0.35344432384277225
Energy: -0.3487910957528274
Energy: -0.3534443238396468
Energy: -0.348791095755472
Energy: -0.35344432384189073
Energy: -0.3487910957568344
Energy: -0.3534443238440545
Energy: -0.3997599891814698
Energy: -0.4727647775028096
Energy: -0.39975998917970684
Energy: -0.47276477750152734
Energy: -0.39975998917746286
Energy: -0.4727647775116249
Energy: -0.39975998917922595
Energy: -0.39447841238716624
Energy: -0.3955190977727968
Energy: -0.3944784123845216
Energy: -0.3955190977745598
Energy: -0.3944784123875669
Energy: -0.3955190977736783
Energy: -0.3944784123875669
Energy: -0.47223957993821236
Energy: -0.32069979264949927
Energy: -0.47223957993821236
Energy: -0.32069979265038084
Energy: -0.47223957993821236
Energy: -0.3206997926507815
Energy: -0.47223957994037613
Energy: -0.420426618762023
Energy: -0.3888606625751395
Energy: -0.4204266186874937
Energy: -0.3888606625755402
Energy: -0.42042661881042703
Energy: -0.3888606625746587
Energy: -0.4204266186765146
Energy: -0.4109111836273908
Energy: -0.43025576984464614
Energy: -0.4109111836313176
Energy: -0.43025576984600855
Energy: -0.4109111836321992
Energy: -0.4302557698464093
Energy: -0.41091118363436296
Energy: -0.458314320198682
Energy: -0.3817558338960123
Energy: -0.45831432019467516
Energy: -0.38175583389513074
Energy: -0.4583143201925114
Energy: -0.3817558338942493
Energy: -0.45831432020701646
Energy: -0.327614427084654
Energy: -0.39543978038083566
Energy: -0.3276076264366288
Energy: -0.3954397803817172
Energy: -0.3280415042848274
Energy: -0.3954397803786719
Energy: -0.32771319841176627
Energy: -0.432480569631019
Energy: -0.46829644583124075
Energy: -0.4324805696345451
Energy: -0.4682964458391745
Energy: -0.43248056962973674
Energy: -0.4682964458365299
Energy: -0.4324805696350259
Energy: -0.44586062526440723
Energy: -0.2746062984723511
Energy: -0.44586062527105874
Energy: -0.2746162058873684
Energy: -0.4458606252684141
Energy: -0.2747554020471113
Energy: -0.4458606252613619
Energy: -0.4871134485228064
Energy: -0.21879107856284086
Energy: -0.48711344852016186
Energy: -0.2187910785619593
Energy: -0.48711344852320715
Energy: -0.2187910785606771
Energy: -0.48711344852320715
Energy: -0.25275728330103986
Energy: -0.356880751978419
Energy: -0.25276805825733223
Energy: -0.35687708070429963
Energy: -0.2527732886183257
Energy: -0.3568772104849706
Energy: -0.2531516415798284
Energy: -0.43097151621583
Energy: -0.49418929988328164
Energy: -0.43097151621583
Energy: -0.49418929988328164
Energy: -0.4309715162135861
Energy: -0.49418929988199944
Energy: -0.4309715162171122
Energy: -0.22818556544200663
Energy: -0.36235681333370723
Energy: -0.2281918440075715
Energy: -0.3623568133305818
Energy: -0.2286281238054104
Energy: -0.3623568133226481
Energy: -0.22834434284295696
Energy: -0.2835230255186516
Energy: -0.48220121262877097
Energy: -0.2834817051770088
Energy: -0.4822012126230009
Energy: -0.28349841873927517
Energy: -0.4822012126270078
Energy: -0.2834932422827915
Energy: -0.2674465062540918
Energy: -0.28181132459589964
Energy: -0.2674477134627706
Energy: -0.2814572411403643
Energy: -0.26744691357803174
Energy: -0.28147593900673806
Energy: -0.26742580767200863
Energy: -0.4927579409127515
Energy: -0.32651927098878286
Energy: -0.4927579408814973
Energy: -0.32650564231529966
Energy: -0.49275794101364667
Energy: -0.32650862034575295
Energy: -0.49275794100042375
Energy: -0.24411043261692586
Energy: -0.08397657841718432
Energy: -0.24415118408370132
Energy: -0.08397630519285071
Energy: -0.24413275039716464
Energy: -0.08397593887447483
Energy: -0.2441369448441968
Energy: -0.3070552594468273
Energy: -0.25245621282917907
Energy: -0.306722568483638
Energy: -0.25232873585849963
Energy: -0.3070723839492294
Energy: -0.2524941642712254
Energy: -0.3066743666834054
Energy: -0.2036712070177191
Energy: -0.24744930191915107
Energy: -0.20455955788617408
Energy: -0.2469945785933761
Energy: -0.2045606699124664
Energy: -0.247841656179218
Energy: -0.20455541095368215
Energy: -0.3086788440432196
Energy: -0.2317634444830879
Energy: -0.3078368072767066
Energy: -0.23172956354353116
Energy: -0.30868030127668983
Energy: -0.23180087755271264
Energy: -0.30867060745932556
Energy: -0.30827650627303427
Energy: -0.017051080146859347
Energy: -0.30834509114779496
Energy: -0.01747607166442561
Energy: -0.3082699471908802
Energy: -0.01747701639734467
Energy: -0.30828192112861325
Energy: -0.10679132004175663
Energy: -0.24434347502932421
Energy: -0.10634316778870496
Energy: -0.2443496146146526
Energy: -0.10678549752485217
Energy: -0.24434359823802967
Energy: -0.10679137617381235
Energy: -0.2520947174780143
Energy: -0.18569039622809813
Energy: -0.25156045323451515
Energy: -0.18567287224392595
Energy: -0.2515612682898221
Energy: -0.18575607988699525
Energy: -0.25205232679370004
Energy: -0.20058622517440053
Energy: -0.07858614686912745
Energy: -0.20057012904174698
Energy: -0.07857982655655173
Energy: -0.20070584386203705
Energy: -0.07860694275183323
Energy: -0.20069885405685456
Energy: -0.1451458921993545
Energy: -0.15350691197562896
Energy: -0.14439530547397517
Energy: -0.15328000189493043
Energy: -0.14516310085524278
Energy: -0.153158445153693
Energy: -0.14515425557641473
Energy: -0.07355533665408619
Energy: -0.4076018628238054
Energy: -0.07356064452840204
Energy: -0.40760186282244304
Energy: -0.0735323451821933
Energy: -0.4076018628238054
Energy: -0.07356032198720029
Energy: -0.3972434078135403
Energy: -0.43473280204198794
Energy: -0.3972434076628789
Energy: -0.43473280204022485
Energy: -0.3972434077470249
Energy: -0.43473280204423187
Energy: -0.39724340762321003
Energy: -0.5077330197019455
Energy: -0.43505259489412584
Energy: -0.5077330197049907
Energy: -0.4350525948901189
Energy: -0.5077330197037084
Energy: -0.43505259489540804
Energy: -0.5077330197045901
Energy: -0.4567765282324959
Energy: -0.3641584393740883
Energy: -0.456776528213503
Energy: -0.3641584393709629
Energy: -0.45677652821526615
Energy: -0.3641584393771336
Energy: -0.4567765282069316
Energy: -0.3528780145787855
Energy: -0.3045773599436134
Energy: -0.3528780145805485
Energy: -0.30457735994096885
Energy: -0.3528780145805485
Energy: -0.30457735993704205
Energy: -0.3528780145805485
Energy: -0.3551987117846797
Energy: -0.391070576166754
Energy: -0.3551987117860421
Energy: -0.391070576166754
Energy: -0.35519871178427903
Energy: -0.391070576166754
Energy: -0.35519871178379825
Energy: -0.4992104292784754
Energy: -0.4655490405969009
Energy: -0.4992104292784754
Energy: -0.4655490405920925
Energy: -0.49921042927799464
Energy: -0.4655490405947371
Energy: -0.49921042928288306
Energy: -0.49572918367225094
Energy: -0.3553214217040273
Energy: -0.49572918366255414
Energy: -0.3553214217061911
Energy: -0.49572918362472845
Energy: -0.3553214217061911
Energy: -0.49572918364364127
Energy: -0.21429885770221466
Energy: -0.3996562477526371
Energy: -0.21429473953356162
Energy: -0.39965624775391934
Energy: -0.21423939594814928
Energy: -0.3996562477561632
Energy: -0.21423388731870818
Energy: -0.47276078556562795
Energy: -0.4892859833473569
Energy: -0.47276078556739104
Energy: -0.4892859833451931
Energy: -0.4727607855700356
Energy: -0.48928598334343004
Energy: -0.4727607855629834
Energy: -0.42269954626341544
Energy: -0.19303226722086686
Energy: -0.42269954626517847
Energy: -0.1930275729546517
Energy: -0.42269954626958617
Energy: -0.19304791186966208
Energy: -0.42269954626606
Energy: -0.49838334745354906
Energy: -0.5266873599365538
Energy: -0.49838334742926693
Energy: -0.5266873599351914
Energy: -0.4983833474975454
Energy: -0.5266873599351914
Energy: -0.49838334747206114
Energy: -0.24608895989217291
Energy: -0.3580774835272489
Energy: -0.2459246621678069
Energy: -0.3577337392358601
Energy: -0.24592360139470315
Energy: -0.35773624265832377
Energy: -0.2459250774889057
Energy: -0.4550865802546059
Energy: -0.48916685852136416
Energy: -0.45508658026029586
Energy: -0.4891668585196012
Energy: -0.45508658024354676
Energy: -0.4891668585226464
Energy: -0.45508658024619136
Energy: -0.22114226368378734
Energy: -0.19662555393035017
Energy: -0.22114474472092185
Energy: -0.19662555393347558
Energy: -0.22115953521431295
Energy: -0.19662555393211323
Energy: -0.22116048236855412
Energy: -0.2662219512765154
Energy: -0.5142300650355917
Energy: -0.2662550305275629
Energy: -0.5142300650364732
Energy: -0.26615117170291275
Energy: -0.5142300650377554
Energy: -0.26657978055923504
Energy: -0.2783112627803202
Energy: -0.21991616832171434
Energy: -0.2780232472208353
Energy: -0.21991642500357894
Energy: -0.2779852897169888
Energy: -0.21952995500220773
Energy: -0.2783309219519739

minimum gb energy = -0.5266873599365538 eV
minimum distance =  2.51797953441491 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: -0.2833320480838043
Energy: -0.30979289213088157
Energy: -0.2833320480768479
Energy: -0.30979289212988775
Energy: -0.2833320480838043
Energy: -0.3097928921318753
Energy: -0.28333204807883544
Energy: 1.0445541904315907
Energy: 0.32970144489491
Energy: 1.044554193166191
Energy: 0.3297014448959037
Energy: 1.0445541794146815
Energy: 0.3297014448959037
Energy: 1.0445541753043113
Energy: -0.283332048084798
Energy: -0.3097928921318753
Energy: -0.28333204807585416
Energy: -0.3097928921318753
Energy: -0.28333204807386664
Energy: -0.3097928921318753
Energy: -0.283332048084798
Energy: 1.2000866926974947
Energy: 0.3297014448959037
Energy: 1.2000956333228248
Energy: 0.32970144489391623
Energy: 1.0445541933251024
Energy: 0.32970144489491
Energy: 1.0445541578030302
Energy: -0.28333204807982926
Energy: -0.30979289213088157
Energy: -0.28333204809175433
Energy: -0.30979289213088157
Energy: -0.2833320480897668
Energy: -0.30979289213286904
Energy: -0.28333204807784174
Energy: 1.250288095652275
Energy: 0.32970144489491
Energy: 1.2000540885571653
Energy: 0.32970144489491
Energy: 1.0445541432241254
Energy: 0.3297014448959037
Energy: 1.044554171369791
Energy: -0.28333204808877305
Energy: -0.30979289213286904
Energy: -0.28333204808877305
Energy: -0.30979289213088157
Energy: -0.28333204807982926
Energy: -0.30979289212988775
Energy: -0.2833320480897668
Energy: 1.0445541851232882
Energy: 0.3297014448959037
Energy: 1.044554186552676
Energy: 0.3297014448978912
Energy: 1.044554175111612
Energy: 0.32970144489491
Energy: 1.0445541879164755
Energy: -0.28333204809175433
Energy: -0.30979289213286904
Energy: -0.2833320480877793
Energy: -0.3097928921318753
Energy: -0.28333204807982926
Energy: -0.3097928921318753
Energy: -0.283332048084798
Energy: 1.0445541926218367
Energy: 0.3297014448959037
Energy: 1.044554195057451
Energy: 0.32970144489391623
Energy: 1.044554175900341
Energy: 0.32970144489491
Energy: 1.0445541672107717
Energy: -0.2833320480867855
Energy: -0.3097928921318753
Energy: -0.2833320480877793
Energy: -0.30979289213088157
Energy: -0.2833320480897668
Energy: -0.30979289213088157
Energy: -0.28333204807088536
Energy: 1.200088070912811
Energy: 0.32970144489491
Energy: 1.4800083553513546
Energy: 0.32970144489292247
Energy: 1.6017019873094311
Energy: 0.3297014448959037
Energy: 1.0445541924221815
Energy: -0.28333204807784174
Energy: -0.30979289213286904
Energy: -0.2833320480897668
Energy: -0.30979289213286904
Energy: -0.283332048080823
Energy: -0.30979289213088157
Energy: -0.28333204808281054
Energy: 1.044554184582909
Energy: 0.32970144489491
Energy: 1.199884216443992
Energy: 0.3297014448968975
Energy: 1.0445541498436033
Energy: 0.32970144489491
Energy: 1.0445541225213577
Energy: -0.28333204808281054
Energy: -0.3097928921318753
Energy: -0.2833320480838043
Energy: -0.30979289213088157
Energy: -0.28333204807088536
Energy: -0.3097928921318753
Energy: -0.2833320480838043
Energy: 1.04455418361842
Energy: 0.32970144489391623
Energy: 1.0445541824760933
Energy: 0.32970144489391623
Energy: 1.0445541634212503
Energy: 0.3297014448959037
Energy: 1.0445541931393598
Energy: -0.28333204807982926
Energy: -0.3097928921318753
Energy: -0.283332048084798
Energy: -0.30979289213088157
Energy: -0.2833320480838043
Energy: -0.30979289212988775
Energy: -0.28333204809175433
Energy: 1.0445541351156797
Energy: 0.3297014448959037
Energy: 1.2000555209699613
Energy: 0.32970144489491
Energy: 1.6017019872994935
Energy: 0.32970144489491
Energy: 1.0445541771419533
Energy: -0.28333204807982926
Energy: -0.30979289213088157
Energy: -0.28333204808281054
Energy: -0.30979289213286904
Energy: -0.2833320480867855
Energy: -0.3097928921318753
Energy: -0.2833320480818167
Energy: 1.0445541625272732
Energy: 0.32970144489391623
Energy: 1.0445541704976766
Energy: 0.32970144489491
Energy: 1.0445541831952592
Energy: 0.32970144489391623
Energy: 1.0445541932883786

minimum gb energy = -0.30979289213286904 eV
minimum distance =  2.46279445857012 Angstroms
sigma value = 23