Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453791858485
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01901285258969972
Energy: 0.019662309786698508
Energy: 0.019988490916651964
Energy: 0.019662309786698508
Energy: 0.019662309786698508
Energy: 1.2791840825678487
Energy: 0.019662309786698508
Energy: 1.2791840825673146
Energy: 0.019988490916651964
Energy: 0.019662309786698508
Energy: 0.01901285258969972
Energy: 0.01966230978616438
Energy: 0.019662309786698508
Energy: 1.2791840825673146
Energy: 0.019662309786698508
Energy: 1.2791840825673146

minimum gb energy = 0.01901285258969972 eV
minimum distance =  2.6992720346482 Angstroms
sigma value = 1


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

Energy: 1.9102634115080517
Energy: 1.805699383734284
Energy: 1.6380472985337395
Energy: 1.8056993837355797
Energy: 1.8330952094609125
Energy: 2.1004666970345567
Energy: 1.7554603287367097
Energy: 2.1004666970352046
Energy: 1.61465639333815
Energy: 1.8310690188495435
Energy: 1.8969276462678704
Energy: 1.8310690188488958
Energy: 1.7869346611274224
Energy: 2.1785431581214487
Energy: 1.6700555349715227
Energy: 2.1785431581214487
Energy: 1.7916744518701848
Energy: 1.8606203299012745
Energy: 1.7217369592407252
Energy: 1.8606203299012745
Energy: 1.658019586367114
Energy: 2.281924878834903
Energy: 1.5980161705786962
Energy: 2.281924878834903
Energy: 1.8291323062668365
Energy: 2.066492742969822
Energy: 1.8956461794535742
Energy: 2.0664927429704694
Energy: 1.5874455764374005
Energy: 1.8603827851098669
Energy: 1.5523802941784752
Energy: 1.8603827851105146
Energy: 1.5183457332202877
Energy: 2.3500240239293544
Energy: 2.037108777443406
Energy: 2.350024023928707
Energy: 1.6835700179075468
Energy: 1.7634147941696865
Energy: 1.5847571735728778
Energy: 1.7634147941696865
Energy: 1.9643111987014654
Energy: 2.335732594484005
Energy: 1.550189751198572
Energy: 2.3357325944846523
Energy: 1.5782041309247856
Energy: 2.0468526579473827
Energy: 1.6945078795866935
Energy: 2.046852657946735
Energy: 1.805456867298401
Energy: 2.0250684607400955
Energy: 1.9045706388835497
Energy: 2.0250684607407434
Energy: 1.793843670343647
Energy: 2.066310643940427
Energy: 1.6824156076865184
Energy: 2.0663106439410748
Energy: 1.967593544493707
Energy: 2.0778129692478324
Energy: 2.0934351908347733
Energy: 2.0778129692478324
Energy: 1.7085371649172727
Energy: 2.0906403640459397
Energy: 2.1031088701817864
Energy: 2.0906403640459397
Energy: 1.8971073513078838
Energy: 1.928834908034239
Energy: 1.6326209087236068
Energy: 1.928834908034239
Energy: 1.7548040709188348
Energy: 2.064114837609125
Energy: 1.906150858230096
Energy: 2.064114837609773
Energy: 1.4534018387795655
Energy: 1.8349424600274464
Energy: 1.692347783090605
Energy: 1.8349424600274464
Energy: 1.9087641431311664
Energy: 2.3485532262053748
Energy: 1.549923960732005
Energy: 2.3485532262053748
Energy: 1.6873952240108177
Energy: 1.8229892590958339
Energy: 1.6079275537696387
Energy: 1.8229892590951862
Energy: 1.578597559456068
Energy: 2.3151526294644325
Energy: 1.857193424766865
Energy: 2.3151526294644325
Energy: 1.8120262901738333
Energy: 2.0689190129360715
Energy: 1.8853262401063973
Energy: 2.0689190129360715
Energy: 1.7240687925707168
Energy: 2.0686270664053303
Energy: 1.9007465521733533
Energy: 2.0686270664046824
Energy: 1.7573956841084069
Energy: 2.2809419552267283
Energy: 1.9256696605513124
Energy: 2.2809419552280237
Energy: 1.7291991973756746
Energy: 1.8603639722115142
Energy: 1.5687329206322909
Energy: 1.8603639722115142
Energy: 1.8217486327983192
Energy: 2.207856585786131
Energy: 1.5058013971931188
Energy: 2.2078565857867787
Energy: 1.5620638329575283
Energy: 1.7955958895594837
Energy: 1.8922897390888058
Energy: 1.795595889558836
Energy: 1.8361188975153941
Energy: 2.1018725386268464
Energy: 1.727280546500053
Energy: 2.101872538626199
Energy: 1.9121729160170644
Energy: 1.942343390889476
Energy: 1.6674649302968885
Energy: 1.9423433908901235
Energy: 1.8228969111079594
Energy: 2.0806767085279403
Energy: 1.805439090356563
Energy: 2.080676708528588
Energy: 1.6807605301043398
Energy: 1.8311746014943222
Energy: 1.7937958054904248
Energy: 1.8311746014943222
Energy: 1.7920152524404307
Energy: 2.176697091854724
Energy: 1.811952840707955
Energy: 2.176697091855372

minimum gb energy = 1.4534018387795655 eV
minimum distance =  2.54414466981815 Angstroms
sigma value = 1


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

Energy: 2.064008869147211
Energy: 2.1405775898026085
Energy: 1.7435661994974694
Energy: 2.1405775898011314
Energy: 1.8395871044627563
Energy: 2.1449805875734134
Energy: 1.9183016510569006
Energy: 2.144980587571936
Energy: 1.9047529426264986
Energy: 2.0432629675636576
Energy: 1.8099138769851095
Energy: 2.0432629675636576
Energy: 1.7019937766618225
Energy: 2.2585832107694803
Energy: 1.6426814137508865
Energy: 2.258583210768742
Energy: 1.7019517931605939
Energy: 1.9538442675673582
Energy: 1.8839702396818827
Energy: 1.9538442675658811
Energy: 1.7390965938043919
Energy: 2.0784499632663667
Energy: 2.0743375400805757
Energy: 2.0784499632678437
Energy: 1.726386584599501
Energy: 2.25332990510289
Energy: 1.9076034333118181
Energy: 2.253329905100674
Energy: 1.6754556230999786
Energy: 1.9964660292697542
Energy: 1.6747520276376107
Energy: 1.99646602927197
Energy: 1.5660740891519058
Energy: 2.1859524264791497
Energy: 1.9134873466167863
Energy: 2.185952426482843
Energy: 1.801399422269569
Energy: 1.9962945042366245
Energy: 1.6316410271647313
Energy: 1.996294504237363
Energy: 1.922586905314327
Energy: 2.0494027605448886
Energy: 1.8187307335337646
Energy: 2.049402760545628
Energy: 1.6281232495983162
Energy: 2.1053304957335914
Energy: 1.8090894166649596
Energy: 2.105330495735069
Energy: 1.9552257802819921
Energy: 2.1462924190328607
Energy: 1.838914516036908
Energy: 2.1462924190335997
Energy: 1.9554902142707673
Energy: 2.146300681844708
Energy: 1.7186563869185412
Energy: 2.1463006818432304
Energy: 1.627981975614707
Energy: 2.105242634971553
Energy: 1.876456298881293
Energy: 2.1052426349708147
Energy: 1.9225793135827864
Energy: 2.049859800156118
Energy: 1.7825869622145056
Energy: 2.0498598001553794
Energy: 1.8014013212926372
Energy: 1.9962402539114377
Energy: 1.5534745321519434
Energy: 1.9962402539077446
Energy: 1.5660826644813501
Energy: 2.185905981084092
Energy: 1.9133431516494372
Energy: 2.1859059810848307
Energy: 1.6754036014083618
Energy: 1.9964564096585018
Energy: 1.625510545298407
Energy: 1.9964564096599788
Energy: 1.7265463133152006
Energy: 2.252798896079251
Energy: 1.821238796299419
Energy: 2.2527988960799896
Energy: 1.7393369971121222
Energy: 2.078507360287434
Energy: 1.6586144188655525
Energy: 2.0785073602889117
Energy: 1.70206336112879
Energy: 1.9538579762208252
Energy: 1.8390414658550844
Energy: 1.9538579762193482
Energy: 1.7020112665049347
Energy: 2.2585139168481896
Energy: 1.690978482146264
Energy: 2.258513916845235
Energy: 1.9044296448703595
Energy: 2.042983545482326
Energy: 1.8761691075674551
Energy: 2.042983545484542
Energy: 1.8395586852365478
Energy: 2.144965144356539
Energy: 1.9181433230313376
Energy: 2.144965144357278
Energy: 2.064008869147211
Energy: 2.1405775898018695
Energy: 1.7515680629626733
Energy: 2.1405775898018695
Energy: 1.8395871044627563
Energy: 2.1449805875734134
Energy: 1.9183016510576396
Energy: 2.144980587572675
Energy: 1.9047529426264986
Energy: 2.0432629675651355
Energy: 1.8099138769865866
Energy: 2.043262967564396
Energy: 1.701993776662561
Energy: 2.258583210768742
Energy: 1.6426814137508865
Energy: 2.258583210768742

minimum gb energy = 1.5534745321519434 eV
minimum distance =  2.53581667623163 Angstroms
sigma value = 25


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

Energy: 1.9784440316160499
Energy: 1.9144622628143264
Energy: 1.8450883213117872
Energy: 1.9144622628143264
Energy: 1.9824422408204205
Energy: 2.1924536170105022
Energy: 1.833683005630021
Energy: 2.1924536170105022
Energy: 1.7489300872568374
Energy: 2.142538896756924
Energy: 1.7653640054575213
Energy: 2.142538896756924
Energy: 1.760241395298402
Energy: 2.3111325008349604
Energy: 1.8855988556303351
Energy: 2.3111325008349604
Energy: 2.1543781931930353
Energy: 2.021977925258263
Energy: 1.953987088901274
Energy: 2.021977925258263
Energy: 1.866676698684608
Energy: 2.0508333349854935
Energy: 2.1699249507094196
Energy: 2.0508333349854935
Energy: 1.9979497175716232
Energy: 1.7719858825561776
Energy: 1.8845817184577085
Energy: 1.7719858825553187
Energy: 1.9719657071474996
Energy: 2.0602715108870515
Energy: 1.791456356764434
Energy: 2.0602715108862326
Energy: 1.675927566163542
Energy: 2.0602342421792295
Energy: 2.190041755242226
Energy: 2.0602342421792295
Energy: 1.9544111851433776
Energy: 2.313801842775384
Energy: 1.7326480048846757
Energy: 2.313801842776243
Energy: 1.9791564880335082
Energy: 2.1987425249280883
Energy: 2.064285674570542
Energy: 2.1987425249280883
Energy: 2.0416231173697734
Energy: 2.1826709637843873
Energy: 2.052074375433611
Energy: 2.1826709637852457
Energy: 1.8190601519678413
Energy: 2.1741589234930703
Energy: 1.7335632017891203
Energy: 2.174158923493929
Energy: 2.1310293465531798
Energy: 2.097959714314446
Energy: 2.0855602058699585
Energy: 2.0979597143135873
Energy: 1.6607104138012885
Energy: 2.0141025030970625
Energy: 1.7873541723174582
Energy: 2.014102503096204
Energy: 2.074289232681837
Energy: 1.7959439923457494
Energy: 1.9454331955837405
Energy: 1.7959439923466078
Energy: 1.6936888168466397
Energy: 2.112187330693708
Energy: 1.7802555328853509
Energy: 2.112187330694567
Energy: 2.0270678900522845
Energy: 2.023757334875453
Energy: 1.778180326073023
Energy: 2.0237573348763114
Energy: 1.73008014638395
Energy: 2.309680511400837
Energy: 1.8857654350526436
Energy: 2.309680511400837
Energy: 1.9795782406626081
Energy: 2.0973091680604443
Energy: 1.8380952901434162
Energy: 2.0973091680604443
Energy: 1.843229294182127
Energy: 2.193791752095319
Energy: 1.854569626656585
Energy: 2.1937917520944605
Energy: 1.9807301210480321
Energy: 2.1702253431224277
Energy: 1.9086377809334987
Energy: 2.170225343123286
Energy: 2.0030606563189823
Energy: 2.220266843608756
Energy: 2.0158378734165643
Energy: 2.220266843608756
Energy: 2.061291428608745
Energy: 2.142311721356127
Energy: 1.9544665953596105
Energy: 2.142311721356986
Energy: 2.1713019705845777
Energy: 2.3099766646557023
Energy: 1.7272798996148873
Energy: 2.3099766646557023

minimum gb energy = 1.6607104138012885 eV
minimum distance =  2.54795352486378 Angstroms
sigma value = 9


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

Energy: 2.288397307944916
Energy: 2.2036682918127912
Energy: 1.9497064575346
Energy: 2.2036682918127912
Energy: 1.9757617869656399
Energy: 2.275424584809663
Energy: 1.876662416823182
Energy: 2.2754245848106875
Energy: 1.8659715758357052
Energy: 2.233339322146112
Energy: 1.9230146407274256
Energy: 2.233339322147136
Energy: 2.042737545508098
Energy: 2.1939894582039803
Energy: 2.117251690540448
Energy: 2.1939894582050044
Energy: 2.0437379174396644
Energy: 2.094189381778487
Energy: 2.247038070589609
Energy: 2.094189381778487
Energy: 1.8379564738626148
Energy: 1.945087778815757
Energy: 2.0954127623461374
Energy: 1.945087778816781
Energy: 2.040185944656483
Energy: 1.9592569336095873
Energy: 2.263352655263681
Energy: 1.9592569336085632
Energy: 1.8133575180844415
Energy: 1.9447271496790746
Energy: 1.9880780912394704
Energy: 1.9447271496790746
Energy: 1.9357699064636928
Energy: 2.208124246495159
Energy: 1.8192102589879682
Energy: 2.208124246496183
Energy: 1.9131958139647358
Energy: 2.2030129299795176
Energy: 2.2167873916757266
Energy: 2.2030129299795176
Energy: 1.8947402743299844
Energy: 2.2632631606029596
Energy: 1.8665520177125412
Energy: 2.2632631606029596
Energy: 2.0714218284436456
Energy: 2.237933870056674
Energy: 2.082120674708024
Energy: 2.2379338700556497
Energy: 1.9667274411975615
Energy: 2.1610371246366826
Energy: 1.6152252581532107
Energy: 2.1610371246366826
Energy: 1.7095784207245988
Energy: 2.1385162724667763
Energy: 1.9417472273650784
Energy: 2.1385162724678004
Energy: 1.9667697205111596
Energy: 2.364910372303881
Energy: 1.8017428536814157
Energy: 2.364910372302856
Energy: 2.262929209761062
Energy: 2.180666507333135
Energy: 2.356507465838656
Energy: 2.180666507333135
Energy: 1.9440920903517294
Energy: 2.185977927712033
Energy: 1.923108662159546
Energy: 2.185977927712033
Energy: 2.0344768443349555
Energy: 2.03368362378844
Energy: 2.361908997108828
Energy: 2.0336836237874154
Energy: 2.299209205294567
Energy: 2.109824690296447
Energy: 2.0167003812146316
Energy: 2.109824690296447
Energy: 1.8283687219717943
Energy: 1.9220149625089367
Energy: 1.9881648197740058
Energy: 1.9220149625089367
Energy: 1.985863246209121
Energy: 2.134463703119671
Energy: 2.0642035258659277
Energy: 2.134463703119671

minimum gb energy = 1.6152252581532107 eV
minimum distance =  2.58268219775443 Angstroms
sigma value = 25


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

Energy: 2.06292139498584
Energy: 2.166035555654286
Energy: 1.9574777127089713
Energy: 2.166035555654286
Energy: 1.8623294581056977
Energy: 2.3115234620437874
Energy: 2.067147733858766
Energy: 2.3115234620425205
Energy: 2.514333791323212
Energy: 2.221842520762828
Energy: 1.8921994334479788
Energy: 2.221842520762828
Energy: 2.6933330463953666
Energy: 2.131919263077791
Energy: 2.0822766562145403
Energy: 2.131919263077791
Energy: 1.9229351032009128
Energy: 2.0425578650222214
Energy: 2.0546401228609286
Energy: 2.0425578650222214
Energy: 1.8693184898122923
Energy: 2.222794450338351
Energy: 2.3407406887290545
Energy: 2.222794450338351
Energy: 2.1235046428040727
Energy: 2.323776545719776
Energy: 1.8754334655244975
Energy: 2.3237765457210426
Energy: 2.196400155822831
Energy: 2.193804724281415
Energy: 1.8873367147290483
Energy: 2.193804724281415
Energy: 1.892150346069667
Energy: 2.292201202664641
Energy: 1.870814089631331
Energy: 2.292201202664641
Energy: 2.275041044011443
Energy: 2.355976450949595
Energy: 2.0556917542955393
Energy: 2.355976450949595
Energy: 1.8120414060241496
Energy: 2.1350223539504025
Energy: 2.1482040141276224
Energy: 2.135022353949136
Energy: 2.1541250087212966
Energy: 1.7319118439747154
Energy: 2.098832084730027
Energy: 1.7319118439734489
Energy: 1.9578429296643132
Energy: 2.193875767149071
Energy: 2.046799817846317
Energy: 2.193875767149071
Energy: 2.11699539956868
Energy: 2.324719932937252
Energy: 2.1758040838312853
Energy: 2.324719932937252
Energy: 2.116996171628847
Energy: 2.1939582167590204
Energy: 2.102847083013752
Energy: 2.193958216757754
Energy: 2.029768785929124
Energy: 2.1935277283401295
Energy: 1.8693502192177025
Energy: 2.1935277283401295
Energy: 2.151146098667908
Energy: 2.1739663318892206
Energy: 2.099646268541641
Energy: 2.1739663318892206

minimum gb energy = 1.7319118439734489 eV
minimum distance =  2.58252376178186 Angstroms
sigma value = 17


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

Energy: 2.183767754262702
Energy: 2.225448464580627
Energy: 2.297124942793123
Energy: 2.225448464580627
Energy: 2.215480383395141
Energy: 2.1214711474064405
Energy: 2.103122220068229
Energy: 2.1214711474057237
Energy: 2.5367467843428018
Energy: 2.1988445065145923
Energy: 1.9853136290437219
Energy: 2.19884450651531
Energy: 2.081207877312686
Energy: 2.300709608810104
Energy: 2.0881080828654994
Energy: 2.300709608810104
Energy: 2.2063202038253125
Energy: 2.012371905529477
Energy: 2.1920107832814213
Energy: 2.01237190552876
Energy: 1.9831522766637564
Energy: 2.11060238187336
Energy: 2.3682353888519314
Energy: 2.110602381871926
Energy: 1.9899269026935131
Energy: 2.3674498716579673
Energy: 2.028428204759418
Energy: 2.3674498716586845
Energy: 2.092976948399458
Energy: 2.14773723993777
Energy: 1.9858536110522151
Energy: 2.1477372399384875
Energy: 2.132580990208068
Energy: 2.23145634858461
Energy: 2.0991414878973766
Energy: 2.231456348586045
Energy: 2.328005419028521
Energy: 2.243165606088899
Energy: 2.076084775810925
Energy: 2.243165606088899
Energy: 1.9783907765766613
Energy: 2.237830159725177
Energy: 2.365158182099907
Energy: 2.2378301597244596
Energy: 2.135760959512238
Energy: 2.037370258939079
Energy: 2.0369071388847546
Energy: 2.037370258939079
Energy: 2.554897460773417
Energy: 2.2441873805868724
Energy: 2.0104889694411687
Energy: 2.2441873805868724
Energy: 1.9813474433846474
Energy: 2.2649816448283806
Energy: 2.169712440279721
Energy: 2.2649816448283806
Energy: 2.142079085595751
Energy: 2.320428454855449
Energy: 2.268423371544256
Energy: 2.320428454855449
Energy: 2.0978626742366333
Energy: 2.3183145567500874
Energy: 1.977475798303209
Energy: 2.3183145567500874
Energy: 2.125449266693703
Energy: 2.0854623696268044
Energy: 2.2074465762313653
Energy: 2.08546236962537
Energy: 2.3081848825595435
Energy: 2.195086676507401
Energy: 1.9832160166535906
Energy: 2.1950866765081187
Energy: 1.9367260384922358
Energy: 2.242083351595511
Energy: 2.0831437328068763
Energy: 2.2420833515962286
Energy: 2.112009822510749
Energy: 2.0565389122004407
Energy: 2.257060305454997
Energy: 2.0565389122119186
Energy: 1.977792199751282
Energy: 2.212134857415847
Energy: 2.1830254012554997
Energy: 2.2121348574172823
Energy: 1.9915833712149666
Energy: 2.267947181879093
Energy: 2.3282389979462725
Energy: 2.2679471818783754
Energy: 2.023449537382617
Energy: 2.223450100997676
Energy: 1.9712834225909424
Energy: 2.2234501009969585
Energy: 2.1168628224609187
Energy: 2.3677586675812625
Energy: 2.192188514337863
Energy: 2.36775866758198
Energy: 2.1123848290995926
Energy: 2.3997980728557997
Energy: 2.5258270758818697
Energy: 2.399798072856517
Energy: 2.1503187479139934
Energy: 2.211200002375375
Energy: 1.982292297036206
Energy: 2.2112000023768097
Energy: 2.076196174746907
Energy: 2.2466229056334495
Energy: 2.3395056823943245
Energy: 2.2466229056334495
Energy: 1.977025895560936
Energy: 2.314910246901721
Energy: 2.090727581667886
Energy: 2.3149102469010043
Energy: 2.2940852320905236
Energy: 2.525080722950843
Energy: 2.084701413000283
Energy: 2.525080722950843
Energy: 1.9857360194715648
Energy: 2.2393589205658957
Energy: 2.0163528441721605
Energy: 2.239358920566613

minimum gb energy = 1.9367260384922358 eV
minimum distance =  2.51891834991513 Angstroms
sigma value = 53


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

Energy: 1.7250584464564247
Energy: 2.1451866112128717
Energy: 2.341525771861513
Energy: 2.1451866112128717
Energy: 2.283915311790071
Energy: 2.41337078275236
Energy: 1.9507180691901238
Energy: 2.41337078275236
Energy: 2.024410792717954
Energy: 1.6620356015114355
Energy: 2.0124396137521914
Energy: 1.6620356015114355
Energy: 2.0244694520674833
Energy: 1.6622057077848826
Energy: 1.8311181096291977
Energy: 1.662205707783231
Energy: 2.28406454372254
Energy: 2.4130979143798985
Energy: 1.9962220887085844
Energy: 2.4130979143782474
Energy: 1.725058446454773
Energy: 2.1451866112128717
Energy: 2.451173677533363
Energy: 2.1451866112128717
Energy: 2.2839153117917226
Energy: 2.41337078275236
Energy: 1.978305996208811
Energy: 2.41337078275236
Energy: 2.024410792717954
Energy: 1.6620356015114355
Energy: 2.0124396124893393
Energy: 1.6620356015097841
Energy: 2.0244694520674833
Energy: 1.6622057077848826
Energy: 1.9254324266583103
Energy: 1.662205707783231
Energy: 2.28406454372254
Energy: 2.4130979143782474
Energy: 2.0381280958881653
Energy: 2.4130979143782474
Energy: 1.725058446454773
Energy: 2.1451866112128717
Energy: 2.451173677533363
Energy: 2.1451866112128717
Energy: 2.2839153117917226
Energy: 2.41337078275236
Energy: 1.9438114651297485
Energy: 2.41337078275236
Energy: 2.024410792717954
Energy: 1.6620356015114355
Energy: 2.0124396111076153
Energy: 1.6620356015114355

minimum gb energy = 1.6620356015097841 eV
minimum distance =  2.55255071771113 Angstroms
sigma value = 9


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

Energy: 1.7891155428379901
Energy: 2.2609474181423845
Energy: 2.5347988213228327
Energy: 2.2609474181423845
Energy: 2.5191916816463964
Energy: 1.9502275207929818
Energy: 2.079232863207878
Energy: 1.9502275208045958
Energy: 2.0775421752736145
Energy: 2.3159643139863872
Energy: 1.978509398251442
Energy: 2.3159643139851647
Energy: 2.366733858659929
Energy: 2.321034524150891
Energy: 2.05940029730112
Energy: 2.321034524150891
Energy: 2.3661493271084297
Energy: 2.039766853699724
Energy: 2.116101499876244
Energy: 2.0397668537009466
Energy: 1.7821784347707612
Energy: 2.2040084693858653
Energy: 2.4677754362819067
Energy: 2.2040084693864768
Energy: 2.6000663055043565
Energy: 2.471830916445472
Energy: 2.334126671034793
Energy: 2.4718309164442496
Energy: 2.11526036453104
Energy: 2.2659072097413904
Energy: 2.3229102240478996
Energy: 2.2659072097413904
Energy: 2.5628965521643585
Energy: 2.256171871625336
Energy: 1.985678434362315
Energy: 2.256171871625336
Energy: 2.1021999800128275
Energy: 2.092441950756616
Energy: 2.105208388358879
Energy: 2.0924419507584506
Energy: 2.0435585439774178
Energy: 2.309702253028106
Energy: 2.4931211972084726
Energy: 2.3097022530274947
Energy: 2.411822776703933
Energy: 2.5773815961737108
Energy: 2.0650242932981877
Energy: 2.5773815961730993
Energy: 2.044237325733981
Energy: 2.3507064587277795
Energy: 2.378698564991969
Energy: 2.3507064587277795
Energy: 2.729074820631524
Energy: 2.310522985879452
Energy: 1.9839009756234478
Energy: 2.3105229858782295
Energy: 2.0809300392917596
Energy: 2.080856544838676
Energy: 2.519100894245077
Energy: 2.0808565448398983
Energy: 1.9848774581846969
Energy: 2.3511286861192517
Energy: 2.149334046753757
Energy: 2.3511286861192517
Energy: 2.297381520046539
Energy: 2.110132288042857
Energy: 2.1902635278795137
Energy: 2.110132288043468
Energy: 2.1782975237399183
Energy: 2.249480811119599
Energy: 2.588528408025151
Energy: 2.24948081112021
Energy: 2.4913269617877707
Energy: 2.255092313576603
Energy: 1.975619486497118
Energy: 2.2550923135759917
Energy: 2.0956577125052336
Energy: 2.378165620246961
Energy: 2.4218373126830457
Energy: 2.37816562024635
Energy: 2.176228504792103
Energy: 2.3084840889391307
Energy: 2.16957568289046
Energy: 2.3084840889397413
Energy: 2.4167102892371934
Energy: 2.4159899156077707
Energy: 2.093210780987507
Energy: 2.4159899156077707
Energy: 1.9854692679363215
Energy: 2.0376512965181894
Energy: 2.5421853068465996
Energy: 2.0376512965181894
Energy: 2.3990411403434995
Energy: 2.266955709375408
Energy: 1.9546049555139764
Energy: 2.266955709375408
Energy: 2.184160921616327
Energy: 2.5080408961653218
Energy: 2.442300322612372
Energy: 2.5080408961647107
Energy: 2.044736208034846
Energy: 2.1683180999681686
Energy: 1.9183031169136038
Energy: 2.168318099966335
Energy: 2.217714281453878
Energy: 2.037658536849
Energy: 2.377159913991404
Energy: 2.037658536849
Energy: 2.1341382797305535
Energy: 2.3065404059341317
Energy: 2.4115049736586647
Energy: 2.306540405931687
Energy: 2.046342508255149
Energy: 2.1655928231591095
Energy: 1.9175041602180511
Energy: 2.165592823159721
Energy: 2.1829843515582223
Energy: 2.788301782286052
Energy: 2.443241131540702
Energy: 2.7883017822866636
Energy: 2.3136477907761135
Energy: 2.2666664831061683
Energy: 1.9553890475336555
Energy: 2.2666664831067798
Energy: 2.0086591452261993
Energy: 2.0515315172536273
Energy: 2.0691726094058644
Energy: 2.0515315172542383
Energy: 2.016186984998457
Energy: 2.252956453394921
Energy: 2.053074855242419
Energy: 2.2529564533955324
Energy: 2.2661053886424827
Energy: 2.311752455880127
Energy: 2.167744296792659
Energy: 2.311752455880738
Energy: 2.168765051965901
Energy: 2.4739047998601116
Energy: 2.4198725519448048
Energy: 2.4739047998588894

minimum gb energy = 1.7821784347707612 eV
minimum distance =  2.51610989106658 Angstroms
sigma value = 73


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

Energy: 1.8290846939661711
Energy: 2.2461623659272263
Energy: 2.49223061092858
Energy: 2.2461623659272263
Energy: 2.3377378591599522
Energy: 2.4514432093917
Energy: 1.984883260196582
Energy: 2.4514432093917
Energy: 2.080602679062406
Energy: 2.0565170120099596
Energy: 1.9090825157226625
Energy: 2.0565170120099596
Energy: 2.15313545104561
Energy: 2.257450296358088
Energy: 2.1441279696914526
Energy: 2.257450296358088
Energy: 2.1781036611623423
Energy: 2.3828406314950037
Energy: 2.0044855791873872
Energy: 2.382840631494034
Energy: 1.9786865014379433
Energy: 2.2293922322964916
Energy: 2.3685768405641947
Energy: 2.2293922322964916
Energy: 2.5858344419709
Energy: 2.542888680154362
Energy: 2.34865723095585
Energy: 2.542888680156302
Energy: 2.0088889907999015
Energy: 2.177606233902446
Energy: 2.5339141575342032
Energy: 2.177606233901476
Energy: 2.5681746816313034
Energy: 1.9986853011781665
Energy: 1.8883238468537553
Energy: 1.9986853011801062
Energy: 2.06455290313189
Energy: 2.156189028771299
Energy: 2.088377840025685
Energy: 2.1561890287732384
Energy: 1.9416065242141474
Energy: 2.0578016836736017
Energy: 2.388959501730059
Energy: 2.0578016836745716
Energy: 2.563737504682048
Energy: 2.451992879750994
Energy: 2.011418391339135
Energy: 2.4519928797519635
Energy: 2.157912610598496
Energy: 2.3233390361044663
Energy: 2.655604108090291
Energy: 2.3233390361054362
Energy: 2.333045607074725
Energy: 2.2565690407864576
Energy: 1.9457663468451072
Energy: 2.256569040787427
Energy: 2.001195962154491
Energy: 2.6160182359356092
Energy: 2.5851854181407417
Energy: 2.6160182359356092
Energy: 2.4351457263660783
Energy: 2.354651815510523
Energy: 1.9130646689006856
Energy: 2.354651815510523
Energy: 2.267137780373303
Energy: 2.2514356051241675
Energy: 2.0487044870405207
Energy: 2.2514356051231976
Energy: 1.9434999421934975
Energy: 2.029297337987294
Energy: 2.048677713104477
Energy: 2.029297337987294
Energy: 1.8577541061572842
Energy: 2.071692227869748
Energy: 1.9118347502853013
Energy: 2.071692227868778
Energy: 2.1267644197201045
Energy: 2.6379749015010296
Energy: 2.4909613696295456
Energy: 2.637974901502969
Energy: 2.3909666109648415
Energy: 2.264817806252738
Energy: 2.0097668319666804
Energy: 2.264817806253708
Energy: 2.065709859190819
Energy: 2.041041349213103
Energy: 2.4127555315628513
Energy: 2.041041349213103

minimum gb energy = 1.8290846939661711 eV
minimum distance =  2.51000352496792 Angstroms
sigma value = 7


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

Energy: 1.7310673492315527
Energy: 2.230789403454488
Energy: 2.607735324834302
Energy: 2.230789403454488
Energy: 2.543755787811593
Energy: 2.499427655646882
Energy: 2.041508987113936
Energy: 2.4994276556461963
Energy: 1.8547108594034818
Energy: 2.0908106794599806
Energy: 1.956919539034438
Energy: 2.0908106794565517
Energy: 2.4780240086585446
Energy: 2.004026420620229
Energy: 2.0558287485804208
Energy: 2.004026420620229
Energy: 1.9466000491021638
Energy: 2.008543736356562
Energy: 2.0858824206728226
Energy: 2.008543736356562
Energy: 1.8038926995481035
Energy: 2.3749920341691477
Energy: 2.4578853358725774
Energy: 2.3749920341705195
Energy: 2.6000966200297677
Energy: 2.617669029219618
Energy: 2.337807010874656
Energy: 2.617669029222361
Energy: 1.8038570136662648
Energy: 2.407516845865818
Energy: 2.5982163977807797
Energy: 2.407516845869247
Energy: 2.5927898550247446
Energy: 2.1485932365530878
Energy: 1.9523069771910304
Energy: 2.1485932365544587
Energy: 2.0389360750854157
Energy: 2.2168187380824524
Energy: 2.424551855834179
Energy: 2.2168187380838242
Energy: 2.006259007229154
Energy: 2.0890620875302623
Energy: 2.102879113932304
Energy: 2.0890620875302623
Energy: 2.0025123378467735
Energy: 2.116888801856237
Energy: 1.9743483009168383
Energy: 2.116888801857608
Energy: 1.9932567581950904
Energy: 1.9955443931646506
Energy: 2.0564649864190625
Energy: 1.9955443931653363
Energy: 2.0612786274227806
Energy: 2.0902531727149696
Energy: 2.1789494432470717
Energy: 2.0902531727156552
Energy: 2.0382461638008524
Energy: 2.3372861194586756
Energy: 2.5179185388580287
Energy: 2.3372861194586756
Energy: 2.501614981107997
Energy: 2.2315767111295806
Energy: 1.9454744335442777
Energy: 2.231576711127523
Energy: 1.9425590017426206
Energy: 2.00455722822265
Energy: 2.542779571959784
Energy: 2.00455722822265
Energy: 2.086010200068908
Energy: 2.53722479290931
Energy: 2.2555122349045487
Energy: 2.5372247929113665
Energy: 1.9429042874877953
Energy: 2.0652261343618434
Energy: 2.2300585124952867
Energy: 2.065226134359786
Energy: 1.9528522621601272
Energy: 2.241579517600543
Energy: 2.1104789602892313
Energy: 2.241579517599172
Energy: 2.51052171479638
Energy: 2.222340695813126
Energy: 1.9086791076681944
Energy: 2.222340695815183
Energy: 1.9057868894806662
Energy: 2.508022749074213
Energy: 2.49552471416438
Energy: 2.508022749073527
Energy: 2.5516005871793257
Energy: 2.54507194639166
Energy: 2.061240903832081
Energy: 2.545071946390974
Energy: 1.7375595547408365
Energy: 2.2320941970869064
Energy: 2.6293788205537516
Energy: 2.232094197088964
Energy: 2.08805777824407
Energy: 2.05636101894828
Energy: 1.9762929795584685
Energy: 2.056361018946223
Energy: 1.9802391721485555
Energy: 2.3281781969186257
Energy: 2.0814564171811147
Energy: 2.3281781969158826
Energy: 2.0406834924541077
Energy: 2.0191613453110504
Energy: 2.2602498374666538
Energy: 2.019161345313108
Energy: 2.4115371643720263
Energy: 2.008522217604219
Energy: 1.9432696715164068
Energy: 2.008522217606276
Energy: 1.9259396542923914
Energy: 2.357029856179756
Energy: 2.341261176041732
Energy: 2.357029856179756
Energy: 2.5229101950232824
Energy: 2.6175285662933527
Energy: 2.155950455147172
Energy: 2.6175285662933527
Energy: 1.9259409279465773
Energy: 2.3570381561270817
Energy: 2.362535551706516
Energy: 2.357038156124338

minimum gb energy = 1.7310673492315527 eV
minimum distance =  2.54920370647401 Angstroms
sigma value = 29


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

Energy: 2.402742015984181
Energy: 1.5461135267933237
Energy: 2.4274924239096647
Energy: 1.5461135267933237
Energy: 2.3745851891849012
Energy: 2.2330629047780883
Energy: 1.9519753368432613
Energy: 2.2330629047757524
Energy: 1.492002603193157
Energy: 2.2344628642609914
Energy: 2.427859111943909
Energy: 2.2344628642633273
Energy: 1.9507386122074446
Energy: 2.0315340279212726
Energy: 1.9518703397188284
Energy: 2.0315340279212726
Energy: 1.9507166525176913
Energy: 1.780174971170947
Energy: 1.9188871381725785
Energy: 1.780174971170947
Energy: 1.962154638278823
Energy: 2.067356330282986
Energy: 1.9622152110937536
Energy: 2.067356330282986
Energy: 1.4920303144749307
Energy: 1.7802621026114014
Energy: 1.9510579290893697
Energy: 1.7802621026114014
Energy: 1.9518893264396198
Energy: 2.0315058348730908
Energy: 1.9507241206695376
Energy: 2.0315058348730908
Energy: 2.4278632014533232
Energy: 2.234584880131911
Energy: 1.9965575149210035
Energy: 2.234584880131911

minimum gb energy = 1.492002603193157 eV
minimum distance =  2.6711032868348 Angstroms
sigma value = 5


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

Energy: 1.7510670780516078
Energy: 1.5679428324526146
Energy: 2.6565939664141998
Energy: 1.5679428324526146
Energy: 2.6308540568387917
Energy: 2.3285060027675692
Energy: 1.7549479793225033
Energy: 2.3285060027669213
Energy: 1.7635061044907876
Energy: 2.0292594452614607
Energy: 2.3055092600509624
Energy: 2.0292594452608133
Energy: 1.6646091445165632
Energy: 1.921173129041288
Energy: 1.7511673252945272
Energy: 1.9211731290419356
Energy: 2.182716179824977
Energy: 2.031990594075643
Energy: 2.101809876715367
Energy: 2.031990594074995
Energy: 2.039950341261464
Energy: 2.0350570405241806
Energy: 1.63526417670372
Energy: 2.0350570405241806
Energy: 1.747949767071682
Energy: 2.0206369542660108
Energy: 1.7468375620493577
Energy: 2.020636954265363
Energy: 1.7531452092952595
Energy: 1.9790938128789042
Energy: 1.896623571151573
Energy: 1.9790938128575275
Energy: 1.7482441962058979
Energy: 2.033940788462761
Energy: 1.7557293072824909
Energy: 2.033940788462761
Energy: 1.8671193387199267
Energy: 2.021761119053073
Energy: 1.6649869628623073
Energy: 2.021761119053073
Energy: 2.050178019589438
Energy: 1.9882007517885534
Energy: 1.7674179396331096
Energy: 1.9882007517898488
Energy: 1.7587613689084767
Energy: 2.021543262965964
Energy: 1.822084195203348
Energy: 2.021543262965964
Energy: 1.7094445500153328
Energy: 1.5689438184124165
Energy: 1.6641674095947714
Energy: 1.5689438184111208
Energy: 2.0016834957342637
Energy: 2.0782399497560022
Energy: 2.5738109172424912
Energy: 2.0782399497560022
Energy: 2.5313722428981986
Energy: 2.2498650274772993
Energy: 1.7679477539276083
Energy: 2.249865027476652
Energy: 1.7307105434769132
Energy: 1.5588576906993614
Energy: 2.584817429034609
Energy: 1.5588576906987137
Energy: 2.2809553854049667
Energy: 2.043870890114592
Energy: 1.8872114630041237
Energy: 2.043870890114592
Energy: 1.9849108974787146
Energy: 2.0687512090872935
Energy: 2.2090317780358375
Energy: 2.068751209087941
Energy: 2.289507638343513
Energy: 1.9268771780636584
Energy: 1.750418645182981
Energy: 1.9268771780636584
Energy: 1.8957106193956181
Energy: 2.345300093657429
Energy: 1.9050401218965272
Energy: 2.345300093657429
Energy: 1.7247491315935117
Energy: 2.028013224645171
Energy: 1.7550185666677862
Energy: 2.028013224643875
Energy: 1.8615555447720065
Energy: 1.8949732804783765
Energy: 1.868678874154771
Energy: 1.8949732804777286
Energy: 1.8811637070406635
Energy: 1.9906110862594277
Energy: 1.672970318984636
Energy: 1.9906110862594277
Energy: 1.8261721426217163
Energy: 1.9992064903989593
Energy: 1.7540018775881265
Energy: 1.9992064904002549
Energy: 1.8255369536578863
Energy: 2.001636062520182
Energy: 2.1044239587188036
Energy: 2.0016360625195344
Energy: 2.2705314078727263
Energy: 2.0703592139065607
Energy: 2.1443927550908555
Energy: 2.0703592139052653
Energy: 1.6590809453510087
Energy: 1.9775927765192975
Energy: 1.9040917290547017
Energy: 1.9775927765186498
Energy: 2.451769343251183
Energy: 2.3568670403350978
Energy: 1.7309658171901812
Energy: 2.3568670403357457
Energy: 1.7569160349038688
Energy: 2.356729964884382
Energy: 2.586898366844541
Energy: 2.3567299648850293
Energy: 2.779089633174963
Energy: 2.035388821207044
Energy: 1.9846257853318723
Energy: 2.035388821207692
Energy: 1.6327653804213504
Energy: 1.5494208678180676
Energy: 2.2115361586250613
Energy: 1.5494208678174197
Energy: 2.1620166508930883
Energy: 1.980393636168974
Energy: 1.8932149843820592
Energy: 1.9803936361696217
Energy: 1.734907300407083
Energy: 2.3570028400265652
Energy: 2.297667958447097
Energy: 2.3570028400259173

minimum gb energy = 1.5494208678174197 eV
minimum distance =  2.54089228989059 Angstroms
sigma value = 1


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

Energy: 1.5128352826076523
Energy: 1.5140779471021597
Energy: 2.677434071899801
Energy: 1.5140779471021597
Energy: 2.524765625915122
Energy: 2.33967931311345
Energy: 1.7633198379680235
Energy: 2.3396793131152416
Energy: 1.4821355891929024
Energy: 2.0680410243348875
Energy: 2.276895648282535
Energy: 2.0680410243339917
Energy: 2.108704173250409
Energy: 1.9022366523432572
Energy: 1.6201868600299238
Energy: 1.9022366523441532
Energy: 1.5103113949820848
Energy: 2.0515793129944777
Energy: 2.559756578799223
Energy: 2.0515793129935815
Energy: 1.641393364481797
Energy: 2.4050202402906575
Energy: 1.6203821130436133
Energy: 2.4050202402915533
Energy: 1.4818431421805307
Energy: 1.9331152196109243
Energy: 1.7989619261260712
Energy: 1.9331152196109243
Energy: 1.6228922290597931
Energy: 1.9815655391108342
Energy: 1.8009272098868963
Energy: 1.98156553911173
Energy: 1.6775609114645484
Energy: 1.996397438860578
Energy: 1.8139974963832688
Energy: 1.996397438860578
Energy: 1.6776361869390288
Energy: 1.996550334631493
Energy: 1.6758776498390646
Energy: 1.9965503346297018
Energy: 1.6227949970686673
Energy: 2.140647619789977
Energy: 2.0123959821715047
Energy: 2.1406476197890814
Energy: 1.4820002426402574
Energy: 1.9331365267675014
Energy: 1.6818090192050943
Energy: 1.9331365267657101
Energy: 1.6412398210106418
Energy: 2.4050010474293932
Energy: 1.6203860343895284
Energy: 2.4050010474302894
Energy: 1.5095430510007204
Energy: 2.051606893772886
Energy: 1.9196995851751346
Energy: 2.051606893771094
Energy: 2.108751580109386
Energy: 1.9023137459392372
Energy: 1.620236845738852
Energy: 1.9023137459374457
Energy: 1.4814999995057745
Energy: 2.0680935589623406
Energy: 2.214752329684655
Energy: 2.0680935589632363
Energy: 2.5248149568395952
Energy: 2.339461525889163
Energy: 1.763345666180869
Energy: 2.3394615258856213
Energy: 1.5128352826076523
Energy: 1.5140779471021597
Energy: 2.0810162870809648
Energy: 1.5140779471021597
Energy: 2.524765625916017
Energy: 2.33967931311345
Energy: 1.7633198379680235
Energy: 2.3396793131143454
Energy: 1.4821355891929024
Energy: 2.0680410243348875
Energy: 2.2768956482834306
Energy: 2.0680410243339917
Energy: 2.108689204664583
Energy: 1.9022366523432572
Energy: 1.6201868600299238
Energy: 1.9022366523450487
Energy: 1.5103113949820848
Energy: 2.0515793129944777
Energy: 2.559756578799223
Energy: 2.0515793129926867
Energy: 1.6413933644746317
Energy: 2.4050202402906575
Energy: 1.6203821130436133
Energy: 2.4050202402915533
Energy: 1.4818431421805307
Energy: 1.9331152196154024
Energy: 1.7989619261251757
Energy: 1.933115219614507

minimum gb energy = 1.4814999995057745 eV
minimum distance =  2.49303079793982 Angstroms
sigma value = 17


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

Energy: 1.5051030956773468
Energy: 1.504867213304946
Energy: 2.554122330989572
Energy: 1.5048672133066068
Energy: 2.655101477224025
Energy: 1.9435362840335701
Energy: 1.7418349823540138
Energy: 1.9435362840341237
Energy: 1.8353116263527125
Energy: 1.6644450523570595
Energy: 2.2100733275477444
Energy: 1.6644450523570595
Energy: 1.8104689909088587
Energy: 1.865457650554918
Energy: 1.5540174356038126
Energy: 1.865457650556025
Energy: 1.7599237188337038
Energy: 2.0731714374239716
Energy: 2.1347707059344607
Energy: 2.0731714374234183
Energy: 1.5989966119634023
Energy: 2.336457489521933
Energy: 1.6581081457497289
Energy: 2.3364574895224863
Energy: 1.7446884665735833
Energy: 1.9808908913590544
Energy: 1.8030470123567424
Energy: 1.9808908913590544
Energy: 1.7487956267961398
Energy: 2.0619586749579324
Energy: 1.6610880473326004
Energy: 2.0619586749579324
Energy: 1.70072780481302
Energy: 2.008624083907088
Energy: 1.773390056252622
Energy: 2.0086240839065344
Energy: 1.6991477429799289
Energy: 2.2791797012662394
Energy: 1.7463144577944685
Energy: 2.2791797012667927
Energy: 1.6540613427233775
Energy: 2.5375955406699515
Energy: 1.7679414694309108
Energy: 2.5375955406699515
Energy: 1.7471436673567105
Energy: 1.6585566581691669
Energy: 1.6438464969153535
Energy: 1.658556658168613
Energy: 1.5785585767780035
Energy: 2.683688879942911
Energy: 1.6588995559223483
Energy: 2.683688879943465
Energy: 1.6602380495937732
Energy: 2.0031685421195737
Energy: 1.8336709653460348
Energy: 2.003168542119021
Energy: 1.7425576167708317
Energy: 2.3867053503581266
Energy: 1.7083249721957767
Energy: 2.3867053503581266
Energy: 1.9626670242582742
Energy: 2.047481344207835
Energy: 2.140715253068015
Energy: 2.047481344207835
Energy: 1.8765592860096652
Energy: 1.8686568295095634
Energy: 1.6585998293974007
Energy: 1.8686568295101171
Energy: 1.6322935717983431
Energy: 1.7026128123203512
Energy: 2.3079151988416693
Energy: 1.7026128123203512
Energy: 2.5060001205663403
Energy: 2.427537693274369
Energy: 1.7424580859131933
Energy: 2.427537693275476
Energy: 1.645202048040381
Energy: 1.488609702940282
Energy: 2.3165183384634336
Energy: 1.4886097029408356
Energy: 2.556128857146392
Energy: 1.6847046430286574
Energy: 1.6494661648328184
Energy: 1.6847046430281039
Energy: 1.7518061540014678
Energy: 2.1277467419138945
Energy: 2.4186090443111263
Energy: 2.127746741914952
Energy: 1.8945865283623402
Energy: 1.8850203693585794
Energy: 1.749746140732422
Energy: 1.8850203693591332
Energy: 1.7443132638726568
Energy: 2.056661329260825
Energy: 1.9584237227406385
Energy: 2.056661329260825
Energy: 2.067341263971288
Energy: 1.7022299958772917
Energy: 1.5514421444292272
Energy: 1.7022299958778457
Energy: 1.7447734616127262
Energy: 1.9186639208054543
Energy: 1.7671834084392117
Energy: 1.918663920804901
Energy: 1.9511628378375292
Energy: 2.3956993105727507
Energy: 1.965714864445949
Energy: 2.3956993068293633
Energy: 1.7103816523695021
Energy: 2.5080622324821378
Energy: 1.742993306975516
Energy: 2.5080622324821378
Energy: 1.827614026755242
Energy: 1.883968512297174
Energy: 1.663992683299384
Energy: 1.883968512297174
Energy: 1.7445248211638598
Energy: 2.725460486293265
Energy: 1.8102862064432168
Energy: 2.725460486293265
Energy: 1.6436777746258513
Energy: 1.599443344577675
Energy: 1.7407311106243462
Energy: 1.599443344578782
Energy: 1.6758976345265835
Energy: 2.337878938601903
Energy: 1.6512996250575485
Energy: 2.337878938602457
Energy: 1.7570580911543343
Energy: 2.2629459055500534
Energy: 1.887448269343205
Energy: 2.2629459055495
Energy: 1.6980827856646141
Energy: 2.009942899189127
Energy: 1.7523743202692132
Energy: 2.009942899187466
Energy: 1.6577171279209264
Energy: 2.1029308606614827
Energy: 2.076842533367952
Energy: 2.1029308606603756
Energy: 1.8058062078167108
Energy: 1.9804122436490996
Energy: 1.656238669329328
Energy: 1.9804122436490996
Energy: 1.7494354539233776
Energy: 2.3313419379473883
Energy: 1.7952306736570096
Energy: 2.3313419379473883
Energy: 2.137214792254154
Energy: 2.0710483003395233
Energy: 1.742564626693301
Energy: 2.07104830033897

minimum gb energy = 1.488609702940282 eV
minimum distance =  2.48782942941015 Angstroms
sigma value = 89


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

Energy: 1.3417955032071969
Energy: 1.3422115724270594
Energy: 2.4501077239870486
Energy: 1.3422115724270594
Energy: 2.4528793536712468
Energy: 1.3854298700506704
Energy: 1.607492812612764
Energy: 1.3854298700506704
Energy: 1.865473880293417
Energy: 1.9207124268632811
Energy: 2.7916538306250063
Energy: 1.9207124268618327
Energy: 1.8940287237109246
Energy: 1.389322861679662
Energy: 1.6074363534278435
Energy: 1.389322861679662
Energy: 1.6090967146745105
Energy: 2.062471188056369
Energy: 2.4700845304686725
Energy: 2.062471188056369
Energy: 1.3616347451281252
Energy: 1.3431252338085733
Energy: 1.3416794754667825
Energy: 1.3431252338085733
Energy: 1.6104201887432654
Energy: 2.399999251336644
Energy: 1.6043560270693888
Energy: 2.399999251336644
Energy: 1.6687013014021856
Energy: 2.328383040013064
Energy: 1.6076418731966882
Energy: 2.328383040013064
Energy: 1.6108765257146196
Energy: 1.8176764302032382
Energy: 1.8939229508392394
Energy: 1.8176764302032382
Energy: 2.1443056648552665
Energy: 1.9594403836440493
Energy: 1.6070472096462298
Energy: 1.9594403836440493
Energy: 1.6051677174263048
Energy: 1.7564386513885797
Energy: 1.3617146310222399
Energy: 1.7564386513885797
Energy: 1.603284917548563
Energy: 2.400219528844453
Energy: 1.6070993259760844
Energy: 2.400219528844453
Energy: 1.609758095358189
Energy: 1.9336888147046305
Energy: 1.6356300061038598
Energy: 1.9336888147046305
Energy: 1.606953665889709
Energy: 1.4828369942916932
Energy: 1.6070293994686329
Energy: 1.482836994290245
Energy: 1.6690677569445886
Energy: 1.93349295186318
Energy: 1.609044402123441
Energy: 1.93349295186318

minimum gb energy = 1.3416794754667825 eV
minimum distance =  2.49992501594609 Angstroms
sigma value = 13


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

Energy: 1.3529148379323437
Energy: 1.70674168666279
Energy: 2.5281937892145634
Energy: 1.7067416866603613
Energy: 2.464424036410506
Energy: 1.7288430456396258
Energy: 1.5010731003362834
Energy: 1.7288430456414472
Energy: 1.5059075907248782
Energy: 1.7405010017009586
Energy: 2.1718682524272075
Energy: 1.740501001707637
Energy: 1.6177550202746012
Energy: 1.7287616676504565
Energy: 1.4000524922393751
Energy: 1.7287616676540989
Energy: 1.6233596666847918
Energy: 2.110284767954292
Energy: 2.0072106931314337
Energy: 2.110284767956721
Energy: 1.6216237421715185
Energy: 1.538659917200399
Energy: 1.425956113645609
Energy: 1.5386599172052557
Energy: 1.515697165386622
Energy: 2.140811677256702
Energy: 1.916548109151508
Energy: 2.1408116772585237
Energy: 1.5256619637317732
Energy: 1.759966111701268
Energy: 1.426124686960298
Energy: 1.7599661116976255
Energy: 1.5160884329202684
Energy: 2.076383844285551
Energy: 1.7138359764739275
Energy: 2.076383844285551
Energy: 1.7660914016518043
Energy: 2.674582822174061
Energy: 1.400407963138158
Energy: 2.674582822169259
Energy: 1.5159976212637598
Energy: 1.6368702465748304
Energy: 1.619376722513666
Energy: 1.6368702465736162
Energy: 1.8743344948413387
Energy: 2.657511780792112
Energy: 1.620662236109071
Energy: 2.657511780793326
Energy: 1.7251962968886876
Energy: 1.7609820750892966
Energy: 1.5445277614703452
Energy: 1.7609820750850467
Energy: 2.1147144680432963
Energy: 1.9271906426359897
Energy: 1.5084697827265514
Energy: 1.9271906426341685
Energy: 1.5160394666887842
Energy: 1.7492938235239164
Energy: 1.5264702803577268
Energy: 1.7492938235191149
Energy: 1.5195036872588108
Energy: 1.630697894415181
Energy: 1.50877989935562
Energy: 1.630697894415181
Energy: 1.5254417584050297
Energy: 2.183031927774924
Energy: 1.5088163508905232
Energy: 2.1830319277779595
Energy: 1.5274588708350993
Energy: 1.906096999143034
Energy: 1.5446005205314879
Energy: 1.9060969991412129
Energy: 1.5922910573209217
Energy: 2.502081260542893
Energy: 1.5438694453191717
Energy: 2.502081260544107
Energy: 1.5923905283095292
Energy: 2.5018640263258987
Energy: 1.5434258801258394
Energy: 2.5018640263277194
Energy: 1.5276176790203029
Energy: 1.9055155078935369
Energy: 1.5448801371700591
Energy: 1.9055155078850372
Energy: 1.5248703950523956
Energy: 2.182572284036145
Energy: 1.5094963866113422
Energy: 2.182572284033109
Energy: 1.5262741851383912
Energy: 1.6304186978590525
Energy: 1.508814408889271
Energy: 1.630418697857838
Energy: 1.5163575958246116
Energy: 1.748741773681853
Energy: 1.584383416895849
Energy: 1.748741773670925
Energy: 2.1442863888703583
Energy: 1.9273895983600409
Energy: 1.5079127871164943
Energy: 1.9273895983582194
Energy: 1.72548919533511
Energy: 1.761048437439382
Energy: 1.4547187231672074
Energy: 1.7610484374442386
Energy: 1.8743417484570124
Energy: 2.6551953209850985
Energy: 1.6210891532741998
Energy: 2.655195320989955
Energy: 1.516073938449531
Energy: 1.6372949029273383
Energy: 1.5263535071233252
Energy: 1.637294902925517
Energy: 1.7656916206090487
Energy: 2.6735251888505225
Energy: 1.40057368732839
Energy: 2.6735251888499154
Energy: 1.5158238338366612
Energy: 2.076627712480425
Energy: 2.127586190835347
Energy: 2.076627712476782
Energy: 1.5253828421698088
Energy: 1.760250829501887
Energy: 1.4259583283867672
Energy: 1.7602508295061368
Energy: 1.5157899186748174
Energy: 2.140618455411089
Energy: 2.3042624770918274
Energy: 2.14061845541291
Energy: 1.6221884937274642
Energy: 1.5388662670952031
Energy: 1.4253862989244335
Energy: 1.5388662670921678
Energy: 1.623608927429891
Energy: 2.110443036126174
Energy: 1.9076218645450191
Energy: 2.1104430361249604
Energy: 1.6178650507014207
Energy: 1.7287573210343379
Energy: 1.400196537792607
Energy: 1.7287573210319098

minimum gb energy = 1.3529148379323437 eV
minimum distance =  2.47148089449801 Angstroms
sigma value = 37


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

Energy: 1.2548365256898633
Energy: 1.254167960202117
Energy: 2.3240733779188996
Energy: 1.254167960202117
Energy: 2.2730346582957934
Energy: 1.900309343299679
Energy: 1.3750995701131592
Energy: 1.9003093433007234
Energy: 1.3837318537255234
Energy: 1.9513146603010423
Energy: 1.5726118391719603
Energy: 1.9513146603010423
Energy: 1.3724250017696402
Energy: 1.5717251649613984
Energy: 1.3751729746978787
Energy: 1.5717251649613984
Energy: 1.2023912653058249
Energy: 1.5716521778164798
Energy: 1.5109826633612748
Energy: 1.5716521778164798
Energy: 1.572976721134233
Energy: 1.5721405759835496
Energy: 1.195950623325605
Energy: 1.5721405759835496
Energy: 1.5660353079542217
Energy: 2.336987668885043
Energy: 1.7023615441866413
Energy: 2.336987668885043
Energy: 1.2022866066336109
Energy: 1.2547338076748729
Energy: 1.7026373664215964
Energy: 1.2547338076748729
Energy: 1.3764205097076407
Energy: 1.8798984841380968
Energy: 1.7019003627810751
Energy: 1.8798984841380968
Energy: 1.8718853314412027
Energy: 1.9530983509610151
Energy: 1.1960759626765687
Energy: 1.9530983509620596
Energy: 1.5661290165063735
Energy: 2.3284853281147737
Energy: 1.3724937511882283
Energy: 2.3284853281137297
Energy: 1.7935672166371863
Energy: 1.5724763501581214
Energy: 1.3751459548893405
Energy: 1.5724763501581214
Energy: 1.191637396633585
Energy: 1.5722787170040928
Energy: 1.5729548863341523
Energy: 1.5722787170030486
Energy: 1.702191865966454
Energy: 2.310201188044024
Energy: 1.3749203691024898
Energy: 2.3102011880450686
Energy: 1.7037704070070785
Energy: 1.3173943779934316
Energy: 1.2023998857573288
Energy: 1.3173943779934316
Energy: 1.7017052226053164
Energy: 1.5722896726920845
Energy: 1.376269143507566
Energy: 1.5722896726920845
Energy: 1.1915917739938557
Energy: 1.951918352941458
Energy: 1.3928472696744556
Energy: 1.951918352941458
Energy: 1.372989962954715
Energy: 2.328696181743886
Energy: 1.3757201640924879
Energy: 2.328696181743886
Energy: 1.3784386754469582
Energy: 1.7152430288055585
Energy: 1.3748086219390687
Energy: 1.715243028804514
Energy: 1.3749233755458994
Energy: 1.5721770437460225
Energy: 1.3727691500361991
Energy: 1.5721770437449782

minimum gb energy = 1.1915917739938557 eV
minimum distance =  2.48434819809617 Angstroms
sigma value = 25


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

Energy: 1.5633846175351716
Energy: 1.8503178603120136
Energy: 1.7568288972795905
Energy: 1.8503178603128292
Energy: 2.218783752816667
Energy: 1.6178252087327134
Energy: 1.2335783948352579
Energy: 1.6178252087335292
Energy: 1.2348550978641015
Energy: 1.235126175458929
Energy: 1.3951254755485332
Energy: 1.235126175458929
Energy: 1.6887838578725434
Energy: 1.517353261038865
Energy: 1.171931520799354
Energy: 1.517353261038865
Energy: 1.3768277110301204
Energy: 1.6162210440180702
Energy: 1.2542960825029177
Energy: 1.6162210440188858
Energy: 1.4172677575294708
Energy: 1.6147092105720402
Energy: 1.3086094328199356
Energy: 1.614709210572856
Energy: 1.2335221456822594
Energy: 1.3513818106173523
Energy: 1.5940446155036623
Energy: 1.3513818106181679
Energy: 1.3102941268437287
Energy: 1.5239230134244715
Energy: 1.2373013255284215
Energy: 1.5239230134261026
Energy: 1.2321378536332885
Energy: 1.6166948315391965
Energy: 2.1264642629099257
Energy: 1.6166948315383807
Energy: 1.1475471603076386
Energy: 1.6010535556595715
Energy: 1.2903752282164338
Energy: 1.6010535556603873
Energy: 1.2366937566562783
Energy: 1.3516823250297587
Energy: 1.9813938507967668
Energy: 1.3516823250297587
Energy: 1.5403025202032627
Energy: 1.6835427157205634
Energy: 1.237363585073308
Energy: 1.683542715721379
Energy: 1.2332805229028303
Energy: 1.5161525934308229
Energy: 1.6895554396499206
Energy: 1.5161525934308229
Energy: 1.522935162215447
Energy: 1.6486599889193037
Energy: 1.3088508001525645
Energy: 1.6486599889184879
Energy: 1.3108139336026008
Energy: 1.4788487030838697
Energy: 1.4167802994258816
Energy: 1.4788487030838697
Energy: 1.7597827641277926
Energy: 2.022709977980976
Energy: 1.2367959014305379
Energy: 2.0227099779801603
Energy: 1.3064416476129963
Energy: 1.5249535658277846
Energy: 1.2887913683653651
Energy: 1.5249535658277846
Energy: 1.8715641782357537
Energy: 1.6168313366130407
Energy: 1.1725242528054656
Energy: 1.6168313366146718
Energy: 1.6439142895939627
Energy: 1.867538629584763
Energy: 1.1476070306058777
Energy: 1.867538629584763
Energy: 2.1782449161387465
Energy: 1.9497123767592925
Energy: 1.2368706589675043
Energy: 1.9497123767601081
Energy: 1.306593612728086
Energy: 1.6843509037985358
Energy: 1.1526288896789407
Energy: 1.6843509037977202
Energy: 1.5949569150670044
Energy: 1.5160564145194038
Energy: 1.2351947807384895
Energy: 1.5160564145194038
Energy: 1.3106515436051707
Energy: 1.6483212028213503
Energy: 1.5186995424184269
Energy: 1.6483212028237975
Energy: 1.416930458516762
Energy: 1.867083550607432
Energy: 1.3142517644113876
Energy: 1.8670835506066532
Energy: 1.30166480249368
Energy: 2.0233308636445644
Energy: 1.764570597431519
Energy: 2.0233308636437486
Energy: 1.151924514015579
Energy: 1.5248738474662722
Energy: 1.3780254565199732
Energy: 1.5248738474654564

minimum gb energy = 1.1475471603076386 eV
minimum distance =  2.48035760407313 Angstroms
sigma value = 41


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

Energy: 1.4202056176072038
Energy: 1.4204219948049066
Energy: 1.6022298810264113
Energy: 1.4204219948049066
Energy: 2.0460959006836057
Energy: 1.4081981281988905
Energy: 1.0991442005927083
Energy: 1.4081981281982219
Energy: 1.2352425045041842
Energy: 1.3995986102810827
Energy: 1.0937235866633517
Energy: 1.3995986102817515
Energy: 1.9549447089656289
Energy: 1.408364644910184
Energy: 1.099330884198808
Energy: 1.408364644910184
Energy: 0.989778228055475
Energy: 1.440584108493004
Energy: 1.1725061051582166
Energy: 1.440584108493004
Energy: 1.3192853239691276
Energy: 1.4087674707739792
Energy: 1.0990400995228855
Energy: 1.4087674707733104
Energy: 0.9951085254939588
Energy: 1.409084464142276
Energy: 1.4026316134329764
Energy: 1.4090844641429445
Energy: 1.0875777582361266
Energy: 1.2252499656631268
Energy: 0.9912242100904929
Energy: 1.2252499656624583
Energy: 1.1009464780574374
Energy: 1.7560035353406185
Energy: 1.6441364060359063
Energy: 1.7560035353406185
Energy: 1.2060107999964216
Energy: 1.4004267077561907
Energy: 1.1311796707624981
Energy: 1.4004267077561907
Energy: 0.9951007877583304
Energy: 1.4085005298523119
Energy: 1.919977350754507
Energy: 1.4085005298523119
Energy: 0.9799614643409751
Energy: 1.4210912557129458
Energy: 1.4216198966499378
Energy: 1.4210912557129458
Energy: 1.1010751438747088
Energy: 1.7288068577013769
Energy: 1.9197590088343628
Energy: 1.7288068577027145
Energy: 1.4253970992626723
Energy: 2.018764717357607
Energy: 1.1973797246271232
Energy: 2.018764717357607
Energy: 1.1002034342284936
Energy: 1.408217617602349
Energy: 1.7282231040053138
Energy: 1.4082176176016805
Energy: 1.402453206970142
Energy: 1.4602479817956988
Energy: 0.9912949096700732
Energy: 1.4602479817950302
Energy: 1.1009713529710863
Energy: 1.7289495768592436
Energy: 1.3184218329938158
Energy: 1.7289495768599126
Energy: 1.4025946136847418
Energy: 2.0464791826667135
Energy: 1.0991402340443555
Energy: 2.0464791826667135
Energy: 0.9948259569872179
Energy: 1.225664234712841
Energy: 1.0871580650082187
Energy: 1.2256642347135096
Energy: 1.3962117221707768
Energy: 1.7589346532028702
Energy: 1.105585551675852
Energy: 1.7589346532022014
Energy: 1.1332004030691818
Energy: 1.7291322107364602
Energy: 1.2056677957937474
Energy: 1.7291322107344538
Energy: 1.9300766546504944
Energy: 2.055683292032561
Energy: 0.9962641653796535
Energy: 2.055683292031892
Energy: 1.4256586661868493
Energy: 1.4219476579138637
Energy: 0.9800251227666635
Energy: 1.421947657913195
Energy: 1.7397196300963793
Energy: 1.7304584636126992
Energy: 1.1051995849919254
Energy: 1.7304584636120306
Energy: 1.133447807586514
Energy: 2.1423532670685645
Energy: 1.0966676908092128
Energy: 2.142353267067896
Energy: 1.7284204943230534
Energy: 2.0278959257348284
Energy: 1.103675142036308
Energy: 2.0278959257341596
Energy: 0.9949707655848893
Energy: 1.4597469502005118
Energy: 1.4023249424046398
Energy: 1.4597469502005118
Energy: 1.09734389082405
Energy: 1.72958550604776
Energy: 1.1056110280078617
Energy: 1.72958550604776
Energy: 1.1012613493981924
Energy: 2.302844843467864
Energy: 1.4030168178014637
Energy: 2.3028448434685327
Energy: 1.08737936757296
Energy: 1.7682665418960362
Energy: 1.1044814834872663
Energy: 1.7682665418980419
Energy: 1.1068792770871423
Energy: 1.7568322459562673
Energy: 1.3963901707124402
Energy: 1.7568322459555987
Energy: 1.0881377476518996
Energy: 1.895187631708886
Energy: 1.1371253096493195
Energy: 1.8951876317075484

minimum gb energy = 0.9799614643409751 eV
minimum distance =  2.43625988820947 Angstroms
sigma value = 15


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

Energy: 1.394172892846837
Energy: 1.7860101308109253
Energy: 2.007654116315124
Energy: 1.786010130367587
Energy: 1.9884219292087004
Energy: 1.5371601558522916
Energy: 1.0745744559768764
Energy: 1.5371601558522916
Energy: 1.1374586121288832
Energy: 1.265788032291951
Energy: 1.4007747049948023
Energy: 1.2657880322913848
Energy: 2.0181255225183667
Energy: 1.5617731968326491
Energy: 1.0196041393268003
Energy: 1.5617731968326491
Energy: 1.1064515665981807
Energy: 1.7514524597691394
Energy: 1.0639834435043287
Energy: 1.7514524597668737
Energy: 1.5388494867093387
Energy: 1.5311601684939518
Energy: 1.0744871108464533
Energy: 1.5311601684939518
Energy: 1.1050757511259282
Energy: 1.2782586553143542
Energy: 0.9694914678502247
Energy: 1.2782586553143542
Energy: 1.191369079117387
Energy: 1.2784010045996443
Energy: 1.1061465276794296
Energy: 1.2784010046007772
Energy: 1.1089179549503532
Energy: 1.7930208473457951
Energy: 1.4391087028823772
Energy: 1.7930208473474947
Energy: 0.9917249272745712
Energy: 1.7349419176667034
Energy: 1.0741707359730521
Energy: 1.7349419176672698
Energy: 1.0763878320996476
Energy: 1.5611536765162917
Energy: 1.6834893360328338
Energy: 1.5611536765168579
Energy: 1.090557636422345
Energy: 1.2661808967019463
Energy: 1.1380305709308791
Energy: 1.2661808967025128
Energy: 1.1084014880351303
Energy: 1.797805091962164
Energy: 1.8679583453748465
Energy: 1.797805091962164
Energy: 0.9022708034608495
Energy: 1.8227761469942998
Energy: 1.2930412819584194
Energy: 1.8227761469948665
Energy: 1.075044378773137
Energy: 1.5382630144851528
Energy: 1.897667516246868
Energy: 1.5382630144851528
Energy: 1.282783373175357
Energy: 1.266595454122886
Energy: 1.1383297208831775
Energy: 1.2665954541234525
Energy: 1.0205584183520464
Energy: 1.7981900486314215
Energy: 1.7079772748904842
Energy: 1.7981900486280227
Energy: 1.2659359482109926
Energy: 1.9121889386438229
Energy: 1.0737729331496872
Energy: 1.9121889386438229
Energy: 1.0186674432089406
Energy: 1.5369461094986714
Energy: 1.5384488390854125
Energy: 1.536946109498105
Energy: 1.2277532840277527
Energy: 1.2995655658146956
Energy: 1.0185143043223333
Energy: 1.2995655658124297
Energy: 1.108337164442369
Energy: 1.5617542477160824
Energy: 1.1919511789715427
Energy: 1.5617542477177822
Energy: 1.309102237195605
Energy: 1.8246329495075102
Energy: 1.1105182454893998
Energy: 1.8246329495069438
Energy: 1.075094811838984
Energy: 1.5408678988672144
Energy: 0.9916012776522573
Energy: 1.5408678988683473
Energy: 1.7668763415387698
Energy: 1.563243066395482
Energy: 0.9909777968760176
Energy: 1.5632430663966148
Energy: 1.228433388559147
Energy: 1.7528596162425416
Energy: 1.0906270347382232
Energy: 1.7528596162436747
Energy: 1.7285838531388458
Energy: 1.8315225078346289
Energy: 1.110367184571049
Energy: 1.8315225078351953
Energy: 1.3961834164730502
Energy: 1.8224584676424873
Energy: 0.9021551873562736
Energy: 1.8224584676436202
Energy: 1.894405938683522
Energy: 1.5232484363138108
Energy: 0.990010041584641
Energy: 1.52324843631551
Energy: 1.2279541686321824
Energy: 1.7657114257589148
Energy: 0.9987144884266814
Energy: 1.7657114257583486
Energy: 1.5452804712742263
Energy: 1.8086186870691445
Energy: 1.0226116196952892
Energy: 1.808618687068578
Energy: 1.0752547214174966
Energy: 1.912640475740094
Energy: 1.266082633729689
Energy: 1.9126404757389612
Energy: 1.5579621435771376
Energy: 1.536642971332714
Energy: 1.0771299557522929
Energy: 1.536642971332714
Energy: 1.0196110969510466
Energy: 1.8244883582620204
Energy: 1.2277729197797798
Energy: 1.8244883582614537
Energy: 1.0031607479848343
Energy: 1.5618926906495614
Energy: 1.1122855528442408
Energy: 1.5618926906489947
Energy: 0.9993604566849035
Energy: 1.8092283928480175
Energy: 1.3034053107181252
Energy: 1.809228392848584
Energy: 0.9917928520489727
Energy: 1.7029619539109986
Energy: 1.0211914608563737
Energy: 1.702961953911565
Energy: 0.93435013275078
Energy: 1.9747669419814304
Energy: 1.7637963255804776
Energy: 1.9747669419808638

minimum gb energy = 0.9021551873562736 eV
minimum distance =  2.45519780373694 Angstroms
sigma value = 85


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

Energy: 1.4802399731175568
Energy: 1.6890561070819738
Energy: 0.9471153705447427
Energy: 1.6890561070824652
Energy: 1.9897818919319228
Energy: 1.3371190847318815
Energy: 0.9729294902562926
Energy: 1.3371190847318815
Energy: 1.2617486728108245
Energy: 1.2626912901014682
Energy: 1.3326530322848797
Energy: 1.2626912901029421
Energy: 1.7486957322773393
Energy: 1.3364797158660193
Energy: 1.0037355988962846
Energy: 1.336479715867493
Energy: 1.1280259615789248
Energy: 1.227472690643271
Energy: 0.9757448880698206
Energy: 1.2274726906427795
Energy: 1.5964749598924333
Energy: 1.2654629880897308
Energy: 0.9367663665543201
Energy: 1.2654629880887482
Energy: 0.9323046759252237
Energy: 1.1928452325784074
Energy: 1.0467354036760375
Energy: 1.1928452325788987
Energy: 1.4481859348159214
Energy: 1.4181505917322614
Energy: 0.974275174697656
Energy: 1.41815059173177
Energy: 0.974309436580403
Energy: 1.1502665333237585
Energy: 1.7439116067806655
Energy: 1.1502665333237585
Energy: 1.1883703737055051
Energy: 1.1815565352274988
Energy: 1.0142628366806148
Energy: 1.1815565352270079
Energy: 0.9289075791926178
Energy: 1.3375746504607122
Energy: 1.6637024447780953
Energy: 1.337574650460221
Energy: 1.0126713260378457
Energy: 1.5791647387079735
Energy: 1.1286556028684205
Energy: 1.5791647387079735
Energy: 1.0436865377042877
Energy: 1.1498098465792856
Energy: 1.9355996803622115
Energy: 1.149809846578303
Energy: 0.9430606370606033
Energy: 1.2620792139550296
Energy: 1.2628151057725105
Energy: 1.2620792139520818
Energy: 0.9295087510708273
Energy: 1.4087140332450614
Energy: 1.992890880164275
Energy: 1.40871403324457
Energy: 0.8541386581264641
Energy: 1.6028512526513903
Energy: 1.3867339579482172
Energy: 1.6028512526523726
Energy: 0.9376481007175649
Energy: 1.1501606442913124
Energy: 1.9410482931954618
Energy: 1.1501606442918035
Energy: 1.0744991037757161
Energy: 1.2631814867397444
Energy: 1.2627940240860573
Energy: 1.2631814867382705
Energy: 0.9294758618274153
Energy: 1.4099404646836065
Energy: 1.8521824376044496
Energy: 1.4099404646836065
Energy: 1.059856945537588
Energy: 1.568974204696128
Energy: 1.128724145122101
Energy: 1.5689742046951451
Energy: 0.9734519547499719
Energy: 1.09332606383905
Energy: 1.5670191040830208
Energy: 1.0933260638395415
Energy: 1.217268641154475
Energy: 1.1958546022957377
Energy: 0.9776202030447493
Energy: 1.195854602296229
Energy: 0.9756624329458108
Energy: 1.4917036771136511
Energy: 1.448300131436375
Energy: 1.4917036771126686
Energy: 1.2807686661980113
Energy: 1.6192405324334445
Energy: 0.9743956926109179
Energy: 1.6192405324344272
Energy: 1.0166899025845517
Energy: 1.1025066038966957
Energy: 1.1881555991759525
Energy: 1.1025066038976783
Energy: 1.6627543292379408
Energy: 1.4303700787855445
Energy: 0.930544075636947
Energy: 1.4303700787860358
Energy: 1.0997823062903473
Energy: 1.6119310797581998
Energy: 1.0119593662280042
Energy: 1.611931079757217
Energy: 1.6487365628766228
Energy: 1.6191542729746935
Energy: 0.9019779333614385
Energy: 1.6191542729727282
Energy: 1.3184365031902479
Energy: 1.2621730057112281
Energy: 0.9365017162657875
Energy: 1.2621730057122105
Energy: 1.8919669179446719
Energy: 1.408906878298829
Energy: 0.930191436793993
Energy: 1.4089068782993202
Energy: 1.4471817091384303
Energy: 1.699580808031551
Energy: 0.8542538579233706
Energy: 1.6995808080305685
Energy: 1.7641553266700314
Energy: 1.6194542068860494
Energy: 0.93905204747683
Energy: 1.6194542068855582
Energy: 1.3179542243199664
Energy: 1.2622273664218469
Energy: 0.8572573845089088
Energy: 1.262227366420373
Energy: 1.7488917056263331
Energy: 1.4106660840405933
Energy: 0.9303253451384718
Energy: 1.4106660840405933
Energy: 1.099488569145592
Energy: 1.5688532252395293
Energy: 1.0595342657298525
Energy: 1.5688532252390381
Energy: 1.4570332612713535
Energy: 1.4528960382661031
Energy: 0.9760315028450053
Energy: 1.4528960382646292
Energy: 0.9804171926417734
Energy: 1.1960982670270623
Energy: 1.2173468415884348
Energy: 1.1960982670275537
Energy: 1.4481997134667688
Energy: 1.4891687665465971
Energy: 0.9756739301237989
Energy: 1.4891687665451232
Energy: 0.9757260176141672
Energy: 1.5929604287046426
Energy: 1.2244459123144624
Energy: 1.5929604287066077
Energy: 1.0773853047227404
Energy: 1.4576714066925422
Energy: 1.0166103742963286
Energy: 1.4576714066930336
Energy: 0.9325538742779855
Energy: 1.430540271288481
Energy: 1.6628628685636881
Energy: 1.4305402712865602
Energy: 1.012276427419488
Energy: 1.6424056388249275
Energy: 1.1747533634063079
Energy: 1.6424056388244364
Energy: 0.9030289536337945
Energy: 1.7746450111309946
Energy: 1.648598464998499
Energy: 1.7746450111305034

minimum gb energy = 0.8541386581264641 eV
minimum distance =  2.45215895338688 Angstroms
sigma value = 113


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

Energy: 0.0215020879372086
Energy: 0.022795130307623854
Energy: 1.7094221130135545
Energy: 0.02279513030691045
Energy: 1.6590512985104624
Energy: 0.4688465068091006
Energy: 0.4679469462538239
Energy: 0.46884650680872286
Energy: 0.02150208793683091
Energy: 0.022795130307623854
Energy: 1.708164361820439
Energy: 0.02279513030728813
Energy: 1.6590512986533112
Energy: 0.4688465068091006
Energy: 0.4679469457462575
Energy: 0.4688465068091006
Energy: 0.02150208793683091
Energy: 0.02279513030728813
Energy: 1.7080865471555189
Energy: 0.02279513030653276
Energy: 1.6590512989556268
Energy: 0.4688465068091006
Energy: 0.46794694622020994
Energy: 0.4688465068091006

minimum gb energy = 0.02150208793683091 eV
minimum distance =  2.76264393788521 Angstroms
sigma value = 1