Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8733648657798767
cohesive_energy=3.5548447438664135
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3086578746511998e-19, 1.6615372782896999e-19, 2.04399286259184e-19, 2.45967759028314e-19, 2.8642111686018e-19, 3.2228103428236796e-19, 3.5422843636432802e-19, 3.8301314177077195e-19, 4.0893796188552596e-19, 4.3240023651382196e-19, 4.53701174862852e-19, 4.728648095821259e-19, 4.8992158202769e-19, 5.04961214091048e-19, 5.18121492962724e-19, 5.295353993033399e-19, 5.39311881124008e-19, 5.4753585378633e-19, 5.5428902829864e-19, 5.597380310308739e-19, 5.63983799110974e-19, 5.67039149952012e-19, 5.68886459611014e-19, 5.69504899791738e-19, 5.688159638391179e-19, 5.66555292608544e-19, 5.624008485965819e-19, 5.560065616502879e-19, 5.46981500670966e-19, 5.348674431412919e-19, 5.19111638122536e-19, 4.99033160545248e-19, 4.736883283720019e-19, 4.4176816329282e-19, 4.0180026498105593e-19, 3.52506096482778e-19, 2.9055152822263196e-19, 2.1147930480482998e-19, 1.0852022995072199e-19, -2.61385504777296e-20, -2.0323450384626597e-19, -4.371298619373899e-19, -7.462554238779839e-19, -1.1548296916675919e-18, -1.6956155752948798e-18, -2.41204487895432e-18, -3.3670222616500198e-18, -4.65828049805598e-18, -6.446870383421879e-18, -8.95509392571522e-18, -1.245322230132546e-17, -1.73701581951744e-17, -2.3881564253413797e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.358415833 eV

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

Energy: 0.011942822540041215
Energy: 0.012437260385540558
Energy: 0.6215480518706162
Energy: 0.11823995510558927
Energy: 0.01243726038608689
Energy: 0.778735439248532
Energy: 0.11823995510076332
Energy: 0.7787354392469232
Energy: 0.6215480518759582
Energy: 0.11823995510024735
Energy: 0.011942822540041215
Energy: 0.012437260385540558
Energy: 0.11823995510024735
Energy: 0.778735439245861
Energy: 0.012437260385540558
Energy: 0.7787354392506869

minimum gb energy = 0.011942822540041215 eV
minimum distance =  2.65438756926782 Angstroms
sigma value = 1


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

Energy: 1.283161521632454
Energy: 0.8916134731214789
Energy: 0.9592129822370428
Energy: 0.9585881867511848
Energy: 0.8939038977227995
Energy: 0.9815005684973528
Energy: 0.8899991590760402
Energy: 0.9815005684973528
Energy: 0.9591835856596708
Energy: 0.9586499937638058
Energy: 1.3954442272546659
Energy: 0.9586499937651308
Energy: 0.8948691745233578
Energy: 0.8905602228362399
Energy: 0.8975845698596148
Energy: 0.8905602228349146
Energy: 1.195142825626821
Energy: 0.9106026868361462
Energy: 0.8960306810637227
Energy: 0.9106026868374714
Energy: 0.9265807907100596
Energy: 0.9511143195622894
Energy: 0.889995439701751
Energy: 0.9511143195762037
Energy: 0.9295628867937877
Energy: 0.9528962351940679
Energy: 0.9257890190852641
Energy: 0.9528962351920802
Energy: 0.9264863587989418
Energy: 1.0032712327327264
Energy: 0.9778554284106258
Energy: 1.0032712327314013
Energy: 1.0309012069819008
Energy: 0.993270533969677
Energy: 0.9717617617645636
Energy: 0.993270533969677
Energy: 0.9911078416884425
Energy: 0.9918664520288126
Energy: 0.9704121010953926
Energy: 0.9918664520301379
Energy: 0.9583234715306302
Energy: 0.9918988192874646
Energy: 1.0314617067374292
Energy: 0.9918988192861395
Energy: 0.9269976138252846
Energy: 0.9909135525641611
Energy: 0.9794204311567144
Energy: 0.9909135525641611
Energy: 0.9288115109182001
Energy: 0.949433058697103
Energy: 0.8907353491955895
Energy: 0.9494330586964405
Energy: 0.9252480841465925
Energy: 0.9509989893444303
Energy: 0.8910719358699626
Energy: 0.950998989346418
Energy: 0.8916533379508923
Energy: 0.8904994754634908
Energy: 0.890275237582687
Energy: 0.8904994754734296
Energy: 0.9239461290169858
Energy: 0.8908627874450276
Energy: 0.8897724382709177
Energy: 0.890862787444365
Energy: 0.9576590986262288
Energy: 0.9590015675549105
Energy: 0.8887492163790559
Energy: 0.9590015675535855
Energy: 0.8901334343568443
Energy: 0.8930790168282876
Energy: 0.8927581775343525
Energy: 0.8930790168263
Energy: 0.8909212768710342
Energy: 0.9592897713051904
Energy: 0.9578221914122517
Energy: 0.9592897713051904
Energy: 0.925247523269858
Energy: 0.8902935225973919
Energy: 0.8952037194309905
Energy: 0.8902935226000424
Energy: 0.8969356568384648
Energy: 0.8907700931766815
Energy: 0.9239341381963531
Energy: 0.890770093180657
Energy: 0.8916170946864441
Energy: 0.9115285468287233
Energy: 0.9264018361269483
Energy: 0.9115285468267356
Energy: 0.924705881783252
Energy: 0.9515492735853966
Energy: 0.9248728784352954
Energy: 0.9515492735880471
Energy: 0.9777108174822899
Energy: 0.9516348622340609
Energy: 0.9310295449043569
Energy: 0.9516348622340609
Energy: 0.9711637996046126
Energy: 0.9937132964478846
Energy: 0.9760778353388145
Energy: 0.9937132964485473
Energy: 0.9707180506137142
Energy: 0.9902992885476251
Energy: 0.9900386513187022
Energy: 0.9902992885482876
Energy: 0.9709519127280112
Energy: 0.9920282049331881
Energy: 0.9572786156337278
Energy: 0.9920282049345133
Energy: 0.9775417906552554
Energy: 0.9922647259427704
Energy: 0.9277143708999502
Energy: 0.9922647259440955
Energy: 0.8914156927736575
Energy: 0.9496070110267955
Energy: 0.9334707937348518
Energy: 0.949607011027458
Energy: 0.8899270278189811
Energy: 0.9517190115946861
Energy: 0.9261134348594473
Energy: 0.9517190115847474
Energy: 0.8905086545292089
Energy: 0.8970803225480671
Energy: 0.8897750370416818
Energy: 0.8970803225778532
Energy: 0.8964935150088378
Energy: 0.8919919773925499
Energy: 0.9246063951821515
Energy: 0.8919919773203583
Energy: 0.8885807505760903
Energy: 0.8926838349959515
Energy: 0.9583853848250014
Energy: 0.8926838334799903

minimum gb energy = 0.8885807505760903 eV
minimum distance =  2.42401818666686 Angstroms
sigma value = 1


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

Energy: 1.4629652128829929
Energy: 0.928804763215652
Energy: 1.0042473616150667
Energy: 1.005206194136656
Energy: 0.9362821124997379
Energy: 1.0246508618306307
Energy: 0.9312098121035743
Energy: 1.0246508618389407
Energy: 1.0036089016639482
Energy: 1.0039984719928594
Energy: 1.345262532023031
Energy: 1.0039984719928594
Energy: 0.9339398822404605
Energy: 0.9366367081721025
Energy: 0.9309505156919118
Energy: 0.9366366993552485
Energy: 0.9338381595286834
Energy: 0.9395179605953772
Energy: 0.9342986191895707
Energy: 0.9395179605961327
Energy: 0.9865630745241459
Energy: 1.024543502389028
Energy: 0.9298593144116027
Energy: 1.0245435051429599
Energy: 0.9783410001118908
Energy: 1.0034551384576544
Energy: 0.9847875626642824
Energy: 1.0034551384606762
Energy: 0.9803107452314429
Energy: 1.0466320003818501
Energy: 1.0338237500372398
Energy: 1.0466320003803393
Energy: 0.9886920224311795
Energy: 1.0453021184000582
Energy: 1.0126918497066446
Energy: 1.045302118401569
Energy: 1.0322230699834172
Energy: 1.0490456232244487
Energy: 0.989695714619697
Energy: 1.0490456232236933
Energy: 0.9337334166113382
Energy: 1.0030481515186565
Energy: 0.9869849020465524
Energy: 1.0030481515254557
Energy: 0.9341211180582464
Energy: 1.0052691540482122
Energy: 0.9882671696545241
Energy: 1.0052691540436793
Energy: 0.9294359942094838
Energy: 0.9327172761214342
Energy: 0.9330399804535265
Energy: 0.9327172761040586
Energy: 0.9354200089636885
Energy: 0.9304116963104416
Energy: 0.924409457292539
Energy: 0.9304116963127079
Energy: 0.9240068891117499
Energy: 1.0049948218961053
Energy: 1.0032817316467808
Energy: 1.004994821902149
Energy: 0.9336103611990509
Energy: 0.9303778305299317
Energy: 0.9308269000765077
Energy: 0.9303778305306872
Energy: 1.0055193584091713
Energy: 1.004586750760625
Energy: 0.928802568946894
Energy: 1.0045867507613804
Energy: 0.9331836269594859
Energy: 0.9304866715048243
Energy: 0.9863845490066058
Energy: 0.9304866714904706
Energy: 0.9303427391377882
Energy: 0.932047204448055
Energy: 0.934947607650448
Energy: 0.932047204449566
Energy: 0.9865275190417221
Energy: 0.9309937318623264
Energy: 0.9299721015041791
Energy: 0.9309937318683702
Energy: 0.9784054090817466
Energy: 1.0054681443446436
Energy: 0.984600110574082
Energy: 1.0054681443446436
Energy: 0.9801636362183818
Energy: 1.0046618492980428
Energy: 1.0296107505597567
Energy: 1.0046618492987982
Energy: 1.1303730426540548
Energy: 1.0459397807348676
Energy: 1.0126996403337083
Energy: 1.0459397807363784
Energy: 1.0313695820087438
Energy: 1.046429000938103
Energy: 0.9859849781450215
Energy: 1.0464290009365922
Energy: 0.9345836055585852
Energy: 1.00252117409063
Energy: 0.9893310764354825
Energy: 1.0025211740959181
Energy: 0.9374708124261452
Energy: 1.0032779168130632
Energy: 0.9786454756367335
Energy: 1.0032779168107966
Energy: 0.9298693470451408
Energy: 0.9307934051535355
Energy: 0.9324504597306101
Energy: 0.9307934051505137
Energy: 0.9320741086174354
Energy: 0.9391210764388463
Energy: 0.9241338926650873
Energy: 0.9391210764426237
Energy: 0.9244118964045906
Energy: 0.9330632105936871
Energy: 1.0035546957769195
Energy: 0.9330632105574251

minimum gb energy = 0.9240068891117499 eV
minimum distance =  2.43056239196367 Angstroms
sigma value = 25


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

Energy: 1.4024556811399125
Energy: 0.9643563190672851
Energy: 1.0543723333071775
Energy: 1.0538064024736493
Energy: 0.9851527227337221
Energy: 1.0681411308012194
Energy: 0.97412193055027
Energy: 1.068141130800341
Energy: 1.0533495954958734
Energy: 1.0534845342377568
Energy: 0.9719683598646627
Energy: 1.0534845342377568
Energy: 0.9791528019701348
Energy: 0.9770910985582826
Energy: 0.9745568466238104
Energy: 0.9770910986267827
Energy: 0.9726116906067492
Energy: 0.9753620786293169
Energy: 0.9738350149843993
Energy: 0.9753620786328298
Energy: 1.0126594723377034
Energy: 1.086710107852658
Energy: 0.974136799589689
Energy: 1.086710107853536
Energy: 1.0437965572937555
Energy: 1.0690903760296824
Energy: 1.0115978411595437
Energy: 1.0690903760296824
Energy: 1.0125686634628683
Energy: 1.071259222478497
Energy: 0.9929182595128233
Energy: 1.071259222477619
Energy: 1.0651742703395846
Energy: 1.069354680303498
Energy: 0.986671177226169
Energy: 1.069354680303498
Energy: 1.0129033412486423
Energy: 1.0689972903601361
Energy: 0.9744042662071581
Energy: 1.0689972903610143
Energy: 0.9602127259681597
Energy: 0.9773281992529441
Energy: 0.9754828788689098
Energy: 0.977328198925493
Energy: 0.9596412817075284
Energy: 0.9753376391119053
Energy: 0.9832667142688652
Energy: 0.9753376391127836
Energy: 1.0528787018816264
Energy: 1.053437538218935
Energy: 0.9592959203520369
Energy: 1.0534375382180565
Energy: 0.9746018348819135
Energy: 0.9770847331200928
Energy: 0.9852148128192436
Energy: 0.9770847331113107
Energy: 0.9714235774765921
Energy: 1.0550830246267067
Energy: 1.0565099557431548
Energy: 1.0550830246267067
Energy: 0.9771642328801056
Energy: 0.9793330808340058
Energy: 0.9786470623756617
Energy: 0.9793330808331278
Energy: 0.9756529024799458
Energy: 0.9761282458520213
Energy: 0.9726134125645274
Energy: 0.976128245855534
Energy: 0.9736239612582183
Energy: 0.9745794638130598
Energy: 1.0130647849938268
Energy: 0.974579463673465
Energy: 1.010587442039215
Energy: 1.0700098995515055
Energy: 1.0379908200264707
Energy: 1.070009899550627
Energy: 0.9942448301082579
Energy: 1.0702610541611153
Energy: 1.0154516535667697
Energy: 1.070261054160237
Energy: 0.9854912886442734
Energy: 1.0698171419226534
Energy: 1.0685171743431199
Energy: 1.0698171419226534
Energy: 0.9864651822165205
Energy: 1.068803923663762
Energy: 1.0133958814129216
Energy: 1.0688039236628837
Energy: 0.9735899791957984
Energy: 0.97629750341646
Energy: 0.9596331050016242
Energy: 0.976297503407678
Energy: 0.9742862492578713
Energy: 0.9752344088786707
Energy: 0.9591666160544277
Energy: 0.9752344088988696
Energy: 0.9586860682908547
Energy: 0.9806836460230113
Energy: 1.0538573474016901
Energy: 0.9806836460598959

minimum gb energy = 0.9586860682908547 eV
minimum distance =  2.43996172213269 Angstroms
sigma value = 9


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

Energy: 1.4188891128352703
Energy: 1.0567059700800534
Energy: 1.1235669206310173
Energy: 1.122886231236003
Energy: 1.0658820842338284
Energy: 1.1307142192495057
Energy: 1.090671875172368
Energy: 1.130714219250553
Energy: 1.1276451749265883
Energy: 1.1272091874646346
Energy: 1.0555856086618935
Energy: 1.1272091874656824
Energy: 1.0501675028653268
Energy: 1.0481211815659994
Energy: 1.066195820316971
Energy: 1.0481216894661696
Energy: 1.0130075047474638
Energy: 1.0494269871711985
Energy: 1.0479293842718245
Energy: 1.0494269871701505
Energy: 1.0506938022101333
Energy: 1.183550853168984
Energy: 1.0493067269736978
Energy: 1.183550853168984
Energy: 1.0655056291739122
Energy: 1.1658759060901818
Energy: 1.067087103736874
Energy: 1.165875906092277
Energy: 1.1048581635196086
Energy: 1.162628813962781
Energy: 1.0669426319234896
Energy: 1.1626288139638288
Energy: 1.0916202478216954
Energy: 1.0919135828145468
Energy: 1.0178094931856623
Energy: 1.0919135828145468
Energy: 1.0530232665872274
Energy: 1.0609708608542991
Energy: 1.0187495934010358
Energy: 1.0609708608542991
Energy: 0.989016858841119
Energy: 1.0036320387622546
Energy: 1.0025413564584373
Energy: 1.0036320387622546
Energy: 1.0521029675746458
Energy: 0.9900021112946547
Energy: 1.0032010343664837
Energy: 0.9900021112957023
Energy: 1.1703162221810974
Energy: 1.168540538412182
Energy: 1.0833225308550292
Energy: 1.1685405384132297
Energy: 1.0755060622275638
Energy: 1.0528999280772366
Energy: 1.0553223883928406
Energy: 1.0528999272510087
Energy: 1.0125776184250825
Energy: 1.0888052667755026
Energy: 1.0592293583908354
Energy: 1.0888052667765502
Energy: 1.0796495905205177
Energy: 1.0877230984850048
Energy: 1.058913670845597
Energy: 1.087723098483957
Energy: 1.0662218325770854
Energy: 1.175711469284256
Energy: 1.0825309388237097
Energy: 1.1757114692853037
Energy: 1.0666077564790895
Energy: 1.1806552335296725
Energy: 1.0580742627117268
Energy: 1.1806552335317675
Energy: 1.0494297908985784
Energy: 1.0563768288329936
Energy: 1.018597019470866
Energy: 1.0563768288340412
Energy: 1.047985700037335
Energy: 1.0529103452923176
Energy: 1.0182927780851736
Energy: 1.0529103452933417
Energy: 1.016981548225171
Energy: 1.094419440199128
Energy: 1.1249795808445604
Energy: 1.0944194401970329

minimum gb energy = 0.989016858841119 eV
minimum distance =  2.42205595507872 Angstroms
sigma value = 25


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

Energy: 1.1471399572855365
Energy: 1.0245602699036616
Energy: 1.1527827414622795
Energy: 1.1533933172858684
Energy: 1.1481229328811384
Energy: 1.1037164121127523
Energy: 1.0418504630342145
Energy: 1.1037164121127523
Energy: 1.1515600321755948
Energy: 1.1523454185070168
Energy: 1.017985337617004
Energy: 1.1523454185083124
Energy: 1.0210660520704427
Energy: 1.106537507562145
Energy: 1.0421428855058985
Energy: 1.1065375075608495
Energy: 1.0787730504015531
Energy: 1.041699088143543
Energy: 1.0427781123251125
Energy: 1.041699087986863
Energy: 1.0196591908174097
Energy: 1.0427107925821275
Energy: 1.039760790291375
Energy: 1.042710793531365
Energy: 1.1361931831555123
Energy: 1.1587017893470886
Energy: 1.0841129718569913
Energy: 1.1587017893470886
Energy: 1.017109292735782
Energy: 1.1581003687941533
Energy: 1.04275357034129
Energy: 1.1581003687928575
Energy: 1.1504302449764463
Energy: 1.1525696113601624
Energy: 1.1484500941732625
Energy: 1.1525696110092003
Energy: 1.1727035304272955
Energy: 1.1585897990126561
Energy: 1.0174657500094983
Energy: 1.1585897990126561
Energy: 1.0176202682667117
Energy: 1.154537717409623
Energy: 1.153832512413774
Energy: 1.1545377174083276
Energy: 1.1496356519777173
Energy: 1.1066639364828743
Energy: 1.1508189432945481
Energy: 1.1066639364828743
Energy: 1.041183305480665
Energy: 1.1654196568976578
Energy: 1.0377832167955685
Energy: 1.1654196568937711
Energy: 1.042929059860852
Energy: 1.0896782805831977
Energy: 1.0222294495770203
Energy: 1.0896782805844933
Energy: 1.0440128850161492
Energy: 1.1593789039493572
Energy: 1.0168472753358033
Energy: 1.1593789039506526
Energy: 1.0420317128421392
Energy: 1.158495737726865
Energy: 1.0167178849404002
Energy: 1.1584957377255691
Energy: 1.0174449386552957
Energy: 1.0221910878126514
Energy: 1.154249682391567
Energy: 1.0221910878113558

minimum gb energy = 1.0167178849404002 eV
minimum distance =  2.49911049828671 Angstroms
sigma value = 17


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

Energy: 1.625004988411465
Energy: 1.1733609572198576
Energy: 1.2559836357830882
Energy: 1.2558846348848727
Energy: 1.04544684905188
Energy: 1.1176854409717125
Energy: 1.196402791181091
Energy: 1.11768544097318
Energy: 1.1083777683808538
Energy: 1.1071650187960684
Energy: 1.1750801857074793
Energy: 1.1071650187960684
Energy: 1.1078145722750565
Energy: 1.1861798232510559
Energy: 1.1125104576223437
Energy: 1.1861798232488547
Energy: 1.107620962528659
Energy: 1.1611835402572597
Energy: 1.1016723221827647
Energy: 1.1611835400643453
Energy: 1.1136630610607268
Energy: 1.1842579896689824
Energy: 1.1073722655729357
Energy: 1.1842579896279246
Energy: 1.1632746557226459
Energy: 1.1085307112445704
Energy: 1.106946321262224
Energy: 1.1085307112453044
Energy: 1.258447108705375
Energy: 1.1133500015572135
Energy: 1.0630408659530628
Energy: 1.1133500015601483
Energy: 1.2597630133389284
Energy: 1.2566859327723863
Energy: 1.1680454934410858
Energy: 1.25668593277312
Energy: 1.2608380671181776
Energy: 1.1844193617165928
Energy: 1.1117410530382918
Energy: 1.1844193617165928
Energy: 1.1053967055854088
Energy: 1.0627964106085657
Energy: 1.0576053413010862
Energy: 1.0627964106115009
Energy: 1.170971523573799
Energy: 1.0845188747898713
Energy: 1.0771914978653767
Energy: 1.0845188747715602
Energy: 1.1691910386455393
Energy: 1.0809802895894611
Energy: 1.0786806656788093
Energy: 1.080980289365028
Energy: 1.1651555045950914
Energy: 1.1185681400566334
Energy: 1.0594629323824616
Energy: 1.118568140071309
Energy: 1.258169203919341
Energy: 1.1810972779703446
Energy: 1.172295946591786
Energy: 1.1810972779820517
Energy: 1.2603478010435627
Energy: 1.177071707239865
Energy: 1.173519713689325
Energy: 1.177071707239865
Energy: 1.169716694961271
Energy: 1.1105582413663235
Energy: 1.1083512262449817
Energy: 1.1105582413685247
Energy: 1.1700185499394027
Energy: 1.1133144804461443
Energy: 1.1063778939716908
Energy: 1.1133144804461443
Energy: 1.1074479720897519
Energy: 1.2079546085174393
Energy: 1.108780685569583
Energy: 1.2079546085196404
Energy: 1.1236699836332613
Energy: 1.1578714427958188
Energy: 1.1072593485998683
Energy: 1.1578714520328044
Energy: 1.1061096324278417
Energy: 1.1133275825463358
Energy: 1.1765361830525822
Energy: 1.1133275825463358
Energy: 1.1085917186008514
Energy: 1.1084658235953724
Energy: 1.163574641737593
Energy: 1.108465823593171
Energy: 1.1953981629151693
Energy: 1.1831187355789234
Energy: 1.2026304148010993
Energy: 1.1831187355789234
Energy: 1.1703787788708204
Energy: 1.2572339411094127
Energy: 1.2531010537942595
Energy: 1.2572339411086788
Energy: 1.0760309276138207
Energy: 1.113345596985844
Energy: 1.2556104336243463
Energy: 1.11334559698511
Energy: 1.0777202556468708
Energy: 1.0870069965999891
Energy: 1.1053734379028317
Energy: 1.0870069965853468
Energy: 1.0573002375078855
Energy: 1.0610454516493828
Energy: 1.1800047485903864
Energy: 1.0610454516493828
Energy: 1.0623351309665134
Energy: 1.0826218506703893
Energy: 1.1650368241767282
Energy: 1.0826218514705648
Energy: 1.0779523062637242
Energy: 1.1150190255673773
Energy: 1.1659889799803407
Energy: 1.1150190255680776
Energy: 1.170435250637991
Energy: 1.2550593243344281
Energy: 1.2540643190895158
Energy: 1.2550593243358958

minimum gb energy = 1.04544684905188 eV
minimum distance =  2.44382913995464 Angstroms
sigma value = 53


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

Energy: 1.4723327272571844
Energy: 0.976833245541245
Energy: 1.160990561194537
Energy: 1.1644003048742717
Energy: 1.3299233009291829
Energy: 1.0593461056568811
Energy: 1.1632767772667327
Energy: 1.0593461056585702
Energy: 1.1603146504680744
Energy: 1.163081549593097
Energy: 1.2186129985027832
Energy: 1.1630815495964757
Energy: 1.185570513460221
Energy: 1.0598552620440518
Energy: 1.162487706611921
Energy: 1.0598552620305377
Energy: 1.1633561631766984
Energy: 1.0595655008023086
Energy: 0.9753134428466023
Energy: 1.059565500807338
Energy: 1.1698472901702266
Energy: 1.0594525562843258
Energy: 0.9742084212151056
Energy: 1.0594525562843258
Energy: 1.3301615706716734
Energy: 1.1635124271642996
Energy: 1.1600611118018314
Energy: 1.1635124271642996
Energy: 1.3315015808657815
Energy: 1.0631585513225277
Energy: 1.165110296508122
Energy: 1.0631585513225277
Energy: 1.1595796023264526
Energy: 1.1635394754153772
Energy: 1.1927378530381674
Energy: 1.1635394754153772
Energy: 1.1674101387815696
Energy: 1.0597358977764533
Energy: 1.1610252032843746
Energy: 1.0597358977764533
Energy: 1.1624449258101355
Energy: 1.0603439589836705
Energy: 0.975151806941645
Energy: 1.0603439589870491
Energy: 1.17452273617247
Energy: 1.0581637630355383
Energy: 0.9768763856687644
Energy: 1.0581637630355383
Energy: 1.3307449074105284
Energy: 1.0627932262912811
Energy: 1.1658603841906574
Energy: 1.062793226296349

minimum gb energy = 0.9742084212151056 eV
minimum distance =  2.48075369819631 Angstroms
sigma value = 9


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

Energy: 1.4402850079830036
Energy: 1.2169223626476515
Energy: 1.3087863334035195
Energy: 1.309342998558528
Energy: 1.1479249450075204
Energy: 1.0708514307965284
Energy: 1.3193718676248392
Energy: 1.0708514307633916
Energy: 1.0617408018245411
Energy: 1.0630829512182398
Energy: 1.3245348101969385
Energy: 1.0630829512169893
Energy: 1.0660939744561564
Energy: 1.0707683592417623
Energy: 1.316305760749843
Energy: 1.0707683592386361
Energy: 1.0650605088637788
Energy: 1.0653870848150897
Energy: 1.4132612941212397
Energy: 1.0653870848169655
Energy: 1.0708303266155021
Energy: 1.0875708208074246
Energy: 1.3877853982449517
Energy: 1.0875708199218799
Energy: 1.4040558774903353
Energy: 1.3004859658542698
Energy: 1.3091381887786298
Energy: 1.3004859658536447
Energy: 1.3073912597389121
Energy: 1.2132182642539193
Energy: 1.2998854391797703
Energy: 1.2132182643351417
Energy: 1.1326863454453606
Energy: 1.2183057307639993
Energy: 1.1518988955931788
Energy: 1.2183057307677505
Energy: 1.0770817461751638
Energy: 1.1572703031329403
Energy: 1.3026287537377188
Energy: 1.1572703031135585
Energy: 1.1337773191452873
Energy: 1.13635450075593
Energy: 1.2229586372545866
Energy: 1.136354500814644
Energy: 1.1514683391866762
Energy: 1.2045506169052231
Energy: 1.4214218867936164
Energy: 1.2045506169033473
Energy: 1.321245549573695
Energy: 1.13630736823543
Energy: 1.1470248076122793
Energy: 1.1363073682204248
Energy: 1.3845769371384435
Energy: 1.1371253338344691
Energy: 1.1358869327291674
Energy: 1.1371253338357197
Energy: 1.2980370353426518
Energy: 1.1360673285784073
Energy: 1.1378421053777226
Energy: 1.1360673285990397
Energy: 1.2287789084785876
Energy: 1.199182499731432
Energy: 1.1357479145051779
Energy: 1.1991824997320573
Energy: 1.3017576852786723
Energy: 1.0998909717342347
Energy: 1.1364376696924092
Energy: 1.099890968876959
Energy: 1.3031695954692166
Energy: 1.300843004209018
Energy: 1.4381399511626367
Energy: 1.3008430042083927
Energy: 1.3130908757595645
Energy: 1.0660035396429617
Energy: 1.1456615043428997
Energy: 1.0660035396204535
Energy: 1.3435141915065762
Energy: 1.0792323924513443
Energy: 1.0615774525141157
Energy: 1.0792323924550955
Energy: 1.3169217275236231
Energy: 1.063879124042968
Energy: 1.0656079555432387
Energy: 1.0638791240435932
Energy: 1.4063136365077016
Energy: 1.0789360821833183
Energy: 1.0653516033687525
Energy: 1.078936082165812
Energy: 1.4143112847836767
Energy: 1.064858073234414
Energy: 1.0690409657615991
Energy: 1.0648580733587767
Energy: 1.3061297771916034
Energy: 1.300554818324647
Energy: 1.3187468093889956
Energy: 1.300554818324647
Energy: 1.298807575404204
Energy: 1.199209927508131
Energy: 1.3135095195625262
Energy: 1.1992099275118826
Energy: 1.1466247181850036
Energy: 1.2086407081018178
Energy: 1.1342499867561868
Energy: 1.2086407081011925
Energy: 1.3046487544834824
Energy: 1.1579884382789103
Energy: 1.0736062903249883
Energy: 1.1579884382770345
Energy: 1.2228622265861546
Energy: 1.1356494180754586
Energy: 1.1330915782420914
Energy: 1.135649418082336
Energy: 1.4231749819817008
Energy: 1.1419498366270067
Energy: 1.1431920683482066
Energy: 1.14194983662263
Energy: 1.1568621574909084
Energy: 1.1215860480683422
Energy: 1.3174206591292021
Energy: 1.1215860480708428
Energy: 1.1371455490205105
Energy: 1.1372309954132163
Energy: 1.321604598764486
Energy: 1.137230995412591
Energy: 1.1331711624698537
Energy: 1.1267381558896694
Energy: 1.2225066969700786
Energy: 1.1267381558890441
Energy: 1.1423314435879857
Energy: 1.1388472891179948
Energy: 1.2248552922214206
Energy: 1.138847289260489
Energy: 1.140856409587101
Energy: 1.0728823199438542
Energy: 1.2038337965227928
Energy: 1.0728825589560038
Energy: 1.4334495642912142
Energy: 1.303755356835153
Energy: 1.3003721062068982
Energy: 1.3037553568332771

minimum gb energy = 1.0615774525141157 eV
minimum distance =  2.42674735926747 Angstroms
sigma value = 73


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

Energy: 1.532513716710524
Energy: 1.146572315539762
Energy: 1.2486133624400628
Energy: 1.2267820800935274
Energy: 1.0637468478368974
Energy: 1.094983443517516
Energy: 1.2441282383135253
Energy: 1.0949834338570625
Energy: 1.0830195165203351
Energy: 1.0850349915251247
Energy: 1.280856919204589
Energy: 1.0850349915271091
Energy: 1.0827762584470888
Energy: 1.0878811181725139
Energy: 1.3042177415406395
Energy: 1.087881118136826
Energy: 1.0917594323596835
Energy: 1.0980060093364905
Energy: 1.3663976645118645
Energy: 1.0980060093364905
Energy: 1.0864449562810337
Energy: 1.096355464893366
Energy: 1.366621497414251
Energy: 1.09635546489535
Energy: 1.2189434201703027
Energy: 1.2753148531637863
Energy: 1.2960891786161206
Energy: 1.275314853162794
Energy: 1.1624339265425736
Energy: 1.2773475624337678
Energy: 1.2815513044603226
Energy: 1.277347562496239
Energy: 1.1495416187059733
Energy: 1.2243892114754504
Energy: 1.2814669271229304
Energy: 1.224389211503203
Energy: 1.1407170143143563
Energy: 1.2246608344159269
Energy: 1.2746686320232354
Energy: 1.2246608344159269
Energy: 1.1437741684351581
Energy: 1.0599295459420695
Energy: 1.0608171539222016
Energy: 1.0599295459430613
Energy: 1.1195098060785502
Energy: 1.0604061911648586
Energy: 1.3495508861045598
Energy: 1.0604061911648586
Energy: 1.2773483476108953
Energy: 1.0615662538128412
Energy: 1.135278850341959
Energy: 1.061566253811849
Energy: 1.2832158074458768
Energy: 1.1309242535907347
Energy: 1.1281655068690286
Energy: 1.1309242535927189
Energy: 1.28995114095307
Energy: 1.1927643683804101
Energy: 1.1281603027072489
Energy: 1.1927643683804101
Energy: 1.3659761234203622
Energy: 1.1306289032353398
Energy: 1.1370751815226035
Energy: 1.1306289032343477
Energy: 1.365427820303406
Energy: 1.214283321896107
Energy: 1.1469473955205445
Energy: 1.214283321896107
Energy: 1.248629548726371
Energy: 1.2481587045064468
Energy: 1.2195556619136791
Energy: 1.248158704509423
Energy: 1.2310427662816394
Energy: 1.1849025257516308
Energy: 1.1622021236880888
Energy: 1.1849025257516308
Energy: 1.255355692101759
Energy: 1.1766266735500968
Energy: 1.2239904921995857
Energy: 1.1766266735510889
Energy: 1.2325432532748102
Energy: 1.189785801424279
Energy: 1.136974716765625
Energy: 1.1897858014371747
Energy: 1.3614546584583362
Energy: 1.2247981626402127
Energy: 1.2261765673896117
Energy: 1.224798164319865

minimum gb energy = 1.0599295459420695 eV
minimum distance =  2.40971007130008 Angstroms
sigma value = 7


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

Energy: 1.773090090822566
Energy: 1.1014461786666843
Energy: 1.2516890472007245
Energy: 1.2083792041500678
Energy: 1.0645758646022463
Energy: 1.0918499062776412
Energy: 1.3355511419052755
Energy: 1.0918499063105767
Energy: 1.0789033812433442
Energy: 1.0807799304310843
Energy: 1.2153699236909776
Energy: 1.0807799304282788
Energy: 1.078866650082811
Energy: 1.081138150450953
Energy: 1.2156364124820835
Energy: 1.0811381500989954
Energy: 1.0778559087487751
Energy: 1.0867410790953325
Energy: 1.3052294747300035
Energy: 1.0867410790967351
Energy: 1.0799342767232156
Energy: 1.0835434569023892
Energy: 1.3051656007728467
Energy: 1.0835434569037923
Energy: 1.335637549727964
Energy: 1.0803463179171675
Energy: 1.0890161174133957
Energy: 1.0803463179340018
Energy: 1.3400682978230714
Energy: 1.0819188864221434
Energy: 1.0841592230322599
Energy: 1.081918886424248
Energy: 1.3337328398048605
Energy: 1.0819458558171184
Energy: 1.0841226510918958
Energy: 1.0819458558171184
Energy: 1.3260261700456712
Energy: 1.080459233005225
Energy: 1.0797732034665217
Energy: 1.0804592330059264
Energy: 1.3331494686133896
Energy: 1.2229324453563921
Energy: 1.2088866460775474
Energy: 1.2229324454187875
Energy: 1.209874584648049
Energy: 1.2094485367532655
Energy: 1.2267435200413679
Energy: 1.209448536747654
Energy: 1.2047578007252315
Energy: 1.1634337140215827
Energy: 1.0816134236901993
Energy: 1.1634337140173738
Energy: 1.2022842883194322
Energy: 1.1641723494490317
Energy: 1.0967623501540662
Energy: 1.1641723494476288
Energy: 1.2081530936141323
Energy: 1.1641653552313573
Energy: 1.092393414701303
Energy: 1.1641653552250442
Energy: 1.3485964159832733
Energy: 1.2148591646703009
Energy: 1.2100542255833857
Energy: 1.2148591649872191
Energy: 1.092072042151934
Energy: 1.2058191470070583
Energy: 1.2241997663316786
Energy: 1.2058191631733888
Energy: 1.0813601971381768
Energy: 1.0800778723664235
Energy: 1.2001498691795245
Energy: 1.0800778723734379
Energy: 1.087319886212154
Energy: 1.0901853687168832
Energy: 1.3348266698187183
Energy: 1.0901853687077645
Energy: 1.093039106937
Energy: 1.0820923094768524
Energy: 1.3523986153360052
Energy: 1.0820923094740464
Energy: 1.0900713444526464
Energy: 1.0831221878392614
Energy: 1.3090306270727214
Energy: 1.0831221878378587
Energy: 1.3490300827498087
Energy: 1.085831389162368
Energy: 1.0921890908181802
Energy: 1.0858313891532814
Energy: 1.3347172160831966
Energy: 1.0874468883546418
Energy: 1.0772435188821792
Energy: 1.0874468883574475
Energy: 1.3330534906140654
Energy: 1.0811078779977261
Energy: 1.0795596351466434
Energy: 1.0811078779367334
Energy: 1.3090739022767237
Energy: 1.0933655126260937
Energy: 1.0789367386506
Energy: 1.0933655126239894
Energy: 1.3127641314160383
Energy: 1.0918031695907335
Energy: 1.0935852201640495
Energy: 1.0918031700492445
Energy: 1.250934580685387
Energy: 1.2398428296684323
Energy: 1.5467469032837868
Energy: 1.2398428296684323
Energy: 1.2017664090871618
Energy: 1.1667066731450495
Energy: 1.0900068569606154
Energy: 1.166706673147154
Energy: 1.2074598734293274
Energy: 1.163018569906067
Energy: 1.2076306185368098
Energy: 1.1630185699067683
Energy: 1.2080939138392943
Energy: 1.2535190122849378
Energy: 1.0977287747703197
Energy: 1.2535190122821323
Energy: 1.1062941897968963
Energy: 1.2073485663952093
Energy: 1.2089755090115624
Energy: 1.207348566409238

minimum gb energy = 1.0645758646022463 eV
minimum distance =  2.42325620426832 Angstroms
sigma value = 29


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

Energy: 1.0386639711465833
Energy: 1.0418513853849813
Energy: 1.0409685587260005
Energy: 1.2422921968616947
Energy: 1.0286555989718755
Energy: 1.1234225863132707
Energy: 1.0425953308533389
Energy: 1.1234225863135152
Energy: 1.035228926771446
Energy: 1.1213478492774733
Energy: 1.0336924143600679
Energy: 1.1213478492769846
Energy: 1.0346998348633016
Energy: 1.037307962371385
Energy: 1.04507362812307
Energy: 1.0373079623711408
Energy: 1.0334788557292225
Energy: 1.0392903751751255
Energy: 1.0280183936746359
Energy: 1.0392903751758584
Energy: 1.0448479859325102
Energy: 1.1265843830743183
Energy: 1.0277780833919645
Energy: 1.1265843830752686
Energy: 1.0286122990917261
Energy: 1.121430427006404
Energy: 1.0358754303313298
Energy: 1.1214304270054536
Energy: 1.0433817045926235
Energy: 1.0452890784747473
Energy: 1.0332030090467743
Energy: 1.04528907847282
Energy: 1.0288190746841053
Energy: 1.047375502039797
Energy: 1.041509464667772
Energy: 1.0473755019967952

minimum gb energy = 1.0277780833919645 eV
minimum distance =  2.45122487760604 Angstroms
sigma value = 5


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

Energy: 1.506632269006313
Energy: 1.0215107911578392
Energy: 1.1891791496748034
Energy: 1.0397201039721475
Energy: 1.1305756216983776
Energy: 1.0415949093880392
Energy: 1.2132451318562631
Energy: 1.0415949093906893
Energy: 1.2154571378060361
Energy: 1.1324792136056365
Energy: 1.2120843447046123
Energy: 1.1324792136102748
Energy: 1.1399988772561342
Energy: 1.1350876185849343
Energy: 1.1988092249229125
Energy: 1.135087618584272
Energy: 1.134646982263034
Energy: 1.0419098091206174
Energy: 1.1456820501280307
Energy: 1.0419098091199548
Energy: 1.0396161188467992
Energy: 1.0407078229504922
Energy: 1.147582069878882
Energy: 1.0407078229498297
Energy: 1.0376409680183876
Energy: 1.038698160768996
Energy: 1.199114590509934
Energy: 1.0386981607676709
Energy: 1.0491427745163944
Energy: 1.0441419158588197
Energy: 1.2878458096558798
Energy: 1.0441419158634577
Energy: 1.1051410307857372
Energy: 1.0729214264768427
Energy: 1.278238521308281
Energy: 1.07292142647618
Energy: 1.3143666813602073
Energy: 1.0201515473307794
Energy: 1.0243899787939457
Energy: 1.0201515473301168
Energy: 1.1042301277035493
Energy: 1.0205505346502912
Energy: 1.017101974670795
Energy: 1.0205505346522787
Energy: 1.2770431470319317
Energy: 1.0213424625293126
Energy: 1.013791470691573
Energy: 1.0213424625266923
Energy: 1.2859490704804468
Energy: 1.0326914981277802
Energy: 1.0340649007525806
Energy: 1.0326914981310933
Energy: 1.073578094199102
Energy: 1.0010283967965263
Energy: 1.2783982195674595
Energy: 1.001028396797189
Energy: 1.0897078360278079
Energy: 0.9996523709579523
Energy: 1.2758816951882335
Energy: 0.9996523709599402
Energy: 1.0879849506370947
Energy: 1.0006847545000348
Energy: 1.0623645247698121
Energy: 1.0006847544987096
Energy: 1.0893534580476794
Energy: 1.002714538602944
Energy: 1.0609378324798573
Energy: 1.0027145384903349
Energy: 1.24820108424503
Energy: 1.002051705398052
Energy: 1.064110744486962
Energy: 1.002051705399377
Energy: 1.2699453510475769
Energy: 1.0974866448590135
Energy: 1.076808682386185
Energy: 1.0974866448583511
Energy: 1.2430138831619417
Energy: 1.1726048768061068
Energy: 1.1431397435026414
Energy: 1.1726048768074322
Energy: 1.14305141399647
Energy: 1.054370892766765
Energy: 1.0664927184604405
Energy: 1.0543708927661024
Energy: 1.1444873255030519
Energy: 1.0459734100940867
Energy: 1.0465518772836104
Energy: 1.045973410530549
Energy: 1.2319752083108069
Energy: 1.0461266272131018
Energy: 1.0469559433661824
Energy: 1.0461266272157523
Energy: 1.287013699893188
Energy: 1.0501381781176355
Energy: 1.0546036978711348
Energy: 1.0501381781110097
Energy: 1.2804640901280262
Energy: 1.140146261715209
Energy: 1.0715722875009897
Energy: 1.1401462617099083
Energy: 1.0179472037973536
Energy: 1.0110352376991778
Energy: 1.3147885744174568
Energy: 1.0110352376971898
Energy: 1.0129725759975559
Energy: 1.013983422452807
Energy: 1.0526491755956642
Energy: 1.0139834224521445
Energy: 1.0069221109735607
Energy: 1.0131539834383885
Energy: 1.0601694118013236
Energy: 1.0131539834337502
Energy: 1.007306593328327
Energy: 1.0096600926803394
Energy: 1.284729804771479
Energy: 1.0096600938777482
Energy: 1.2762595391658478
Energy: 1.0691398275563697
Energy: 1.0719709689951087
Energy: 1.0691398275537196
Energy: 1.279597927532891
Energy: 1.039211588582803
Energy: 1.0411358951607086
Energy: 1.0392115885861157
Energy: 1.1329891514171357
Energy: 1.0476660213647102
Energy: 1.0401735949878774
Energy: 1.0476660213753117
Energy: 1.0483975866113155
Energy: 1.0389916186042716
Energy: 1.038715822107746
Energy: 1.0389916186022838

minimum gb energy = 0.9996523709579523 eV
minimum distance =  2.4116910431306 Angstroms
sigma value = 1


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

Energy: 1.488508726034158
Energy: 0.9492191737217839
Energy: 0.9848431542368077
Energy: 0.9852935102454378
Energy: 1.0217010860328994
Energy: 0.988909763769949
Energy: 1.1892925553218472
Energy: 0.9889097637736135
Energy: 1.1896401922992899
Energy: 1.1060256104515143
Energy: 1.1913057857992615
Energy: 1.1060256104533466
Energy: 1.0170883306982836
Energy: 1.1065920054328038
Energy: 1.1759104752316094
Energy: 1.1065920054309923
Energy: 0.985640108178206
Energy: 0.984337055195106
Energy: 1.175633789666417
Energy: 0.984337055195106
Energy: 0.9843446544903764
Energy: 0.9864509855073202
Energy: 1.224727736557886
Energy: 0.9864509855082363
Energy: 0.9818734604318329
Energy: 0.9840323632211628
Energy: 1.177674316729398
Energy: 0.9840323632184144
Energy: 0.9981040360988003
Energy: 0.990084212331182
Energy: 1.3296379226382717
Energy: 0.9900842123302659
Energy: 0.9898917946877164
Energy: 1.0387062329160492
Energy: 1.3276477283503993
Energy: 1.0387062329169652
Energy: 1.2128680845506383
Energy: 0.9899227442322694
Energy: 0.9915143064719218
Energy: 0.9899227442350178
Energy: 0.9883107009787515
Energy: 0.9836358752787188
Energy: 0.9816159084055325
Energy: 0.9836358752796349
Energy: 1.3917278942050806
Energy: 0.9953293418594317
Energy: 0.9858192253905973
Energy: 0.9953293418575994
Energy: 1.3898171794514145
Energy: 0.9857306274448616
Energy: 0.9850721048240528
Energy: 0.9857306274430293
Energy: 0.9865825371230154
Energy: 1.1066887278539888
Energy: 1.1947348486857656
Energy: 1.1066887278549051
Energy: 1.0220352128453114
Energy: 1.1043460528854778
Energy: 1.1893956078041799
Energy: 1.1043460528836455
Energy: 1.0251532138938442
Energy: 0.9870212256944939
Energy: 0.9877165727993278
Energy: 0.9870212257476088
Energy: 0.9850942133155417
Energy: 0.9856710817056075
Energy: 1.2115339243003425
Energy: 0.9856710816744589
Energy: 0.9949745682603792
Energy: 0.9895602792297571
Energy: 1.1749719932923808
Energy: 0.9895602792288408
Energy: 0.9817692615260122
Energy: 0.9873244185516449
Energy: 1.3328321273048798
Energy: 0.9873244185479803
Energy: 0.9874176459025978
Energy: 1.0053208200181245
Energy: 1.4117184192724288
Energy: 1.0053208200181245
Energy: 1.1846500898309598
Energy: 1.034653625342614
Energy: 0.9880746087554085
Energy: 1.0346536253435303
Energy: 1.2094990334881406
Energy: 0.9889225256146523
Energy: 0.9906590641530133
Energy: 0.9889225256137363
Energy: 0.9874692116257074
Energy: 0.9872106860024914
Energy: 0.9848435834682273
Energy: 0.9872106860034074
Energy: 1.4006932026522003
Energy: 0.98747930083841
Energy: 0.9838978815503808
Energy: 0.9874793008402422

minimum gb energy = 0.9492191737217839 eV
minimum distance =  2.42721949398655 Angstroms
sigma value = 17


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

Energy: 1.582325056671751
Energy: 0.9610820512563204
Energy: 1.1492783418746402
Energy: 0.9777995500877614
Energy: 0.9971014885605956
Energy: 0.9783748086780589
Energy: 1.134786771025928
Energy: 0.978374808487853
Energy: 1.2472027898183609
Energy: 0.9790094183803126
Energy: 1.1323270183755503
Energy: 0.979009418794596
Energy: 1.2546225832888234
Energy: 1.033393935887528
Energy: 1.0944150762978377
Energy: 1.0333939358880941
Energy: 1.0731516453616203
Energy: 0.9527110172709761
Energy: 1.359303906185815
Energy: 0.9527110172704099
Energy: 0.9529997664491022
Energy: 0.9540257410520498
Energy: 1.2550300330975075
Energy: 0.9540257410526161
Energy: 0.9528551163229337
Energy: 0.9544402579501573
Energy: 0.9961549783337753
Energy: 0.9544402579507235
Energy: 0.9594064028371957
Energy: 0.9581942301832038
Energy: 1.4816660217215951
Energy: 0.9581942301820714
Energy: 1.0767858318771875
Energy: 0.956261502366182
Energy: 1.197796703769989
Energy: 0.956261502356556
Energy: 1.1330165171330162
Energy: 1.0347603121014313
Energy: 1.1174772146267091
Energy: 1.0347603119774753
Energy: 1.0756222516944602
Energy: 0.9791084542377686
Energy: 0.9915686393262144
Energy: 0.9791084542728756
Energy: 1.2492721394692519
Energy: 0.9811907595963596
Energy: 1.095888363224902
Energy: 0.9811907595986247
Energy: 1.3170712881174804
Energy: 0.9727675411595235
Energy: 0.9725359723788003
Energy: 0.972767541153861
Energy: 0.9759326630394817
Energy: 0.9836494302220544
Energy: 0.9752302013852511
Energy: 0.9836494302316806
Energy: 1.2513518652761717
Energy: 0.9900582675049551
Energy: 0.9836908132357949
Energy: 0.9900582675661093
Energy: 0.9539090146355363
Energy: 0.9738372686918378
Energy: 0.9762960148546741
Energy: 0.9738372655103796
Energy: 0.9730615341063199
Energy: 0.9833528392047336
Energy: 1.3774849942860254
Energy: 0.9833528392058662
Energy: 0.9729166685939674
Energy: 0.9854049806431637
Energy: 1.2405711350453454
Energy: 0.9854049806425975
Energy: 0.977314377700505
Energy: 0.9799896598382981
Energy: 1.0960427140235762
Energy: 0.9799896598360331
Energy: 0.974406457578165
Energy: 0.9791333160101361
Energy: 1.1271011707151317
Energy: 0.9791333163107079
Energy: 1.131142603758482
Energy: 0.980469516333206
Energy: 0.9739486085722766
Energy: 0.9804695265844575
Energy: 1.1263665814568475
Energy: 1.149480615467305
Energy: 1.2483031328642966
Energy: 1.1494806154667385
Energy: 1.0960218416456957
Energy: 1.0315803004297355
Energy: 1.2525129671534707
Energy: 1.031580300426338
Energy: 1.3661737651980308
Energy: 0.9535676328602047
Energy: 1.071678245088589
Energy: 0.9535676328664335
Energy: 1.2514592012263734
Energy: 0.9531579954017916
Energy: 0.9522947312119096
Energy: 0.9531579954012254
Energy: 1.0963209200811888
Energy: 0.9544535838715335
Energy: 0.9563790821576366
Energy: 0.9544535838692684
Energy: 1.4812337951159669
Energy: 0.9537084694078711
Energy: 0.9525287413034405
Energy: 0.9537084694050398
Energy: 0.9963378050063315
Energy: 0.9553318423724306
Energy: 1.2517477150555958
Energy: 0.9553318423667683
Energy: 1.1070103598300964
Energy: 1.0403164766533741
Energy: 1.127892893419239
Energy: 1.0403164803696743
Energy: 0.9924101501524742
Energy: 0.9767395884615939
Energy: 1.074210309872293
Energy: 0.9767395775000686
Energy: 1.0932646106343322
Energy: 0.97309808947023
Energy: 1.3272238647677532
Energy: 0.97309808947023
Energy: 0.9725501014849395
Energy: 0.9746706764503044
Energy: 1.331040886272793
Energy: 0.9746706764723879
Energy: 0.972810017747592
Energy: 0.9737918495971348
Energy: 0.9749365295007498
Energy: 0.9737918495897735
Energy: 0.9829057374552342
Energy: 0.9803571534750646
Energy: 1.2551700587791785
Energy: 0.9803571534467523
Energy: 0.979840622241343
Energy: 1.0045868481296891
Energy: 0.9517482359342155
Energy: 1.0045868481291227
Energy: 1.4310698352894644
Energy: 0.9802274238642743
Energy: 0.9752990469580961
Energy: 0.9802274238631417
Energy: 1.075222640785607
Energy: 0.9738030371497798
Energy: 0.9731931298011548
Energy: 0.9738030371095765
Energy: 1.2025552322978952
Energy: 0.9851985929024242
Energy: 0.9738000438069879
Energy: 0.9851985928933643

minimum gb energy = 0.9517482359342155 eV
minimum distance =  2.42916644822333 Angstroms
sigma value = 89


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

Energy: 1.6661940102435389
Energy: 0.9270114734473783
Energy: 0.8933491006016363
Energy: 0.8939515651693751
Energy: 0.8843089183600734
Energy: 0.9885496949555406
Energy: 0.8909045490597437
Energy: 0.9885496949555406
Energy: 0.8842907319524796
Energy: 0.9899464115023262
Energy: 0.91515262339358
Energy: 0.9899464115038078
Energy: 0.8866019626087571
Energy: 0.9924313453061123
Energy: 0.8919066309209102
Energy: 0.9924313453046307
Energy: 0.890766796975089
Energy: 0.8931175907215889
Energy: 0.9084914194200525
Energy: 0.8931175907201073
Energy: 0.8914479917166573
Energy: 0.8916149493079334
Energy: 0.9081050021870997
Energy: 0.8916149493108966
Energy: 0.8910371836080814
Energy: 0.8902383377386268
Energy: 0.8929762395795693
Energy: 0.8902383377401084
Energy: 0.8913648992660032
Energy: 0.8929343711524965
Energy: 0.8844406267103246
Energy: 0.8929343711421592
Energy: 0.8950165757391936
Energy: 0.8938925690784825
Energy: 0.8840297817682075
Energy: 0.8938925690784825
Energy: 0.9173754420767325
Energy: 0.9952181945144805
Energy: 0.8944112176218929
Energy: 0.9952181945129988
Energy: 0.893172330509105
Energy: 0.9795664735223579
Energy: 0.8833015660646132
Energy: 0.9795664735208763
Energy: 0.9074060691566719
Energy: 0.8952033006127955
Energy: 0.8931661259537298
Energy: 0.8952033006127955
Energy: 0.9084987033247739
Energy: 0.8928802068047383
Energy: 0.8938720076283692
Energy: 0.8928802068091831
Energy: 0.8922160503502901
Energy: 0.8893967046634386
Energy: 0.8898318977461602
Energy: 0.889396704661957
Energy: 0.8842452966203906
Energy: 0.8938764220929748
Energy: 0.9022740224581225
Energy: 0.8938764221018642

minimum gb energy = 0.8833015660646132 eV
minimum distance =  2.44923884412733 Angstroms
sigma value = 13


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

Energy: 1.4737514676035288
Energy: 0.8450952391759813
Energy: 1.0710274370596533
Energy: 0.8526805292878593
Energy: 0.8632439132118642
Energy: 0.8513988012778525
Energy: 0.9809916036610291
Energy: 0.8513988012815784
Energy: 1.342774641480264
Energy: 0.8520486409364915
Energy: 0.9853602760871978
Energy: 0.8520486409327654
Energy: 1.1446508474648196
Energy: 0.8526251235273449
Energy: 0.9815878028139331
Energy: 0.8526251235273449
Energy: 0.9874233172110025
Energy: 0.8525941121069209
Energy: 0.9771095908238078
Energy: 0.852594112103195
Energy: 0.9881403028416362
Energy: 0.850948599189203
Energy: 0.9924556189059179
Energy: 0.8509485991966548
Energy: 1.0032236237098973
Energy: 0.8511228332467978
Energy: 0.9786810678955538
Energy: 0.851122833243693
Energy: 0.8553264796491655
Energy: 0.8486015300139875
Energy: 0.980492788693997
Energy: 0.8486015300183344
Energy: 0.847187649826806
Energy: 0.8523664634589795
Energy: 0.9758392827650834
Energy: 0.8523664634658102
Energy: 0.8491514358887299
Energy: 0.8495869357384611
Energy: 0.9953737006320633
Energy: 0.849586935740324
Energy: 0.8511265769719132
Energy: 0.849929672742202
Energy: 1.4763992251531877
Energy: 0.8499296727328873
Energy: 1.2276799422298876
Energy: 0.8488871998571862
Energy: 0.9853459555370452
Energy: 0.8488871998540813
Energy: 1.2598880950212836
Energy: 0.902594020568345
Energy: 0.9882000130436804
Energy: 0.90259402055903
Energy: 0.9821679673395255
Energy: 0.9013991935223563
Energy: 1.1454505473719874
Energy: 0.9013991935248403
Energy: 0.9777351874385971
Energy: 0.8505524790825263
Energy: 0.9832030348289696
Energy: 0.850552479083147
Energy: 1.2460381354995445
Energy: 0.849480840816553
Energy: 0.8531947825009515
Energy: 0.84948084081469
Energy: 0.9837619887836537
Energy: 0.8508056751935779
Energy: 0.8498652618728729
Energy: 0.8508056751848843
Energy: 1.3790740000298236
Energy: 0.8550013047608439
Energy: 0.8522008312828323
Energy: 0.8550013047627067
Energy: 1.100611079867417
Energy: 0.8517093260513712
Energy: 0.9766397664338584
Energy: 0.8517093260482662
Energy: 0.9778514519654078
Energy: 0.8478501067339493
Energy: 0.9998285960668695
Energy: 0.8478501067302234
Energy: 1.1494152876542487
Energy: 0.8494356628062453
Energy: 0.9773461417267845
Energy: 0.8494356629359747
Energy: 0.9894833210054202
Energy: 0.9182781127890552
Energy: 0.9913873683489096
Energy: 0.9182781127934021
Energy: 0.9787206249294734
Energy: 0.8525639968741504
Energy: 1.2641767445744363
Energy: 0.852563996866755
Energy: 0.8547921507534525
Energy: 0.8480387043909552
Energy: 0.982704980127315
Energy: 0.8480387043872293
Energy: 0.9809717702503302
Energy: 0.8489320722479898
Energy: 0.9880761560954683
Energy: 0.8489320723317664
Energy: 0.8492529252782823
Energy: 0.8488131445448418
Energy: 0.9857311836942628
Energy: 0.8488131445448418
Energy: 0.8485402198094902
Energy: 0.8483446449423663
Energy: 0.9867628577550136
Energy: 0.848344644930624
Energy: 0.8479882458412377
Energy: 0.8534216448616242
Energy: 1.3893210117831076
Energy: 0.853421644865971
Energy: 1.153884330732839
Energy: 0.8483092997102801
Energy: 1.1316720934470323
Energy: 0.8483092997028282
Energy: 1.0001901401204076
Energy: 0.9014631449713928
Energy: 0.9867232383664675
Energy: 0.9014631449788447
Energy: 0.9841309049326395
Energy: 0.9029635215525981
Energy: 1.149801109852901
Energy: 0.9029635215557031
Energy: 0.9806488049087437
Energy: 0.8494733085615942
Energy: 0.9861411332566979
Energy: 0.8494733085653202
Energy: 0.9878261155556614
Energy: 0.8499909128990215
Energy: 0.8483669089888889
Energy: 0.8499909128946747
Energy: 1.1504720968285782
Energy: 0.8484919442422704
Energy: 0.8498599546801988
Energy: 0.8484919442354396
Energy: 1.1434387209356995
Energy: 0.8485654216024079
Energy: 0.8497321445142926
Energy: 0.848565421601166

minimum gb energy = 0.8450952391759813 eV
minimum distance =  2.43815781348391 Angstroms
sigma value = 37


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

Energy: 1.2860857620393342
Energy: 0.7810405352602111
Energy: 1.0173149118492348
Energy: 0.7798836313750878
Energy: 1.219826561467107
Energy: 0.7804554871905139
Energy: 1.0024871250702803
Energy: 0.7804554871883771
Energy: 1.2193111365576481
Energy: 0.880833326197634
Energy: 1.01273197596196
Energy: 0.8808333261965655
Energy: 1.2182371156999054
Energy: 0.8758734496606018
Energy: 1.003345289868946
Energy: 0.8758734496541917
Energy: 1.0010084787188636
Energy: 0.8850467793953821
Energy: 1.0097120952749519
Energy: 0.8850467793953821
Energy: 1.0091748222696049
Energy: 0.7789435424568115
Energy: 1.0290534527654802
Energy: 0.7789435424578798
Energy: 0.774315428622879
Energy: 0.7784692123894456
Energy: 1.2304519851978828
Energy: 0.7784692123883772
Energy: 0.790682348354829
Energy: 0.7796856130563642
Energy: 1.2230310497722001
Energy: 0.779685613059545
Energy: 0.7781916049461001
Energy: 0.7793631709258799
Energy: 1.2231184387664498
Energy: 0.7793631709248116
Energy: 0.7774425827292523
Energy: 0.7805982572085148
Energy: 1.2283409246171368
Energy: 0.7805982572095832
Energy: 1.0173101529311797
Energy: 0.7798836331766502
Energy: 1.286085762038266
Energy: 0.7810405352591426
Energy: 1.0024871250702803
Energy: 0.7804554871883771
Energy: 1.2198265609726637
Energy: 0.7804554871873086
Energy: 1.0127319759683702
Energy: 0.8808333261944289
Energy: 1.2193111365533744
Energy: 0.8808333262008392
Energy: 1.0033452898636042
Energy: 0.8758734496595335
Energy: 1.218237115760779
Energy: 0.8758734496584651
Energy: 1.0097120952738834
Energy: 0.8850467793953821
Energy: 1.0010084787188636
Energy: 0.885046779397519
Energy: 1.0290534525422854
Energy: 0.7789435424546747
Energy: 1.009174822298427
Energy: 0.7789435424546747
Energy: 1.230451985198951
Energy: 0.7784692123894456
Energy: 0.7743154286239474
Energy: 0.7784692123894456
Energy: 1.2230310485259546
Energy: 0.7796856130584766
Energy: 0.7906823483569658
Energy: 0.779685613059545
Energy: 1.2231184388422804
Energy: 0.7793631709248116
Energy: 0.7781916049471684
Energy: 0.7793631709248116
Energy: 1.2283409086721622
Energy: 0.7805982572106516
Energy: 0.7774425827292523
Energy: 0.7805982572095832

minimum gb energy = 0.774315428622879 eV
minimum distance =  2.45120888760587 Angstroms
sigma value = 25


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

Energy: 1.6443735851479553
Energy: 0.7144701506008828
Energy: 0.9767046950887195
Energy: 0.7107400977080562
Energy: 1.1436506250550182
Energy: 0.7102428154653685
Energy: 0.9025054130529733
Energy: 0.7102428154662027
Energy: 1.2884784460794023
Energy: 0.7088820272706816
Energy: 0.899990680373395
Energy: 0.7088820272673445
Energy: 1.1425072719926104
Energy: 0.709269906508859
Energy: 1.0734500295720077
Energy: 0.7092699065063562
Energy: 1.229341277892013
Energy: 0.7914326135092425
Energy: 1.22214030641566
Energy: 0.7914326135192536
Energy: 1.1487395534820397
Energy: 0.7899412288853884
Energy: 1.2243011969219568
Energy: 0.7899412288862225
Energy: 1.144392425206368
Energy: 0.6983241228132872
Energy: 1.2164861640749505
Energy: 0.6983241228149557
Energy: 0.8919982509682005
Energy: 0.6962125172789969
Energy: 1.3136634479992924
Energy: 0.6962125172764941
Energy: 0.8783516023778619
Energy: 0.6989848035673503
Energy: 1.0664094115068012
Energy: 0.6989848035673503
Energy: 0.8745489114706513
Energy: 0.6988911199245941
Energy: 1.351804895360603
Energy: 0.6988911199254282
Energy: 0.7971142471104533
Energy: 0.7019349889037483
Energy: 1.4094776545943912
Energy: 0.7019349889012455
Energy: 0.7988888165365402
Energy: 0.6996219660060943
Energy: 1.351491817841266
Energy: 0.6996219660094313
Energy: 0.8002076205691983
Energy: 0.6980994045375207
Energy: 1.0768824925118523
Energy: 0.6980994045375207
Energy: 0.8096050386675037
Energy: 0.6954637447164128
Energy: 1.3728134893727004
Energy: 0.6954637447197498
Energy: 0.974323543035707
Energy: 0.6960859279564535
Energy: 1.3627792799654712
Energy: 0.6960859279581221
Energy: 0.9743985725018903
Energy: 0.6969411832535796
Energy: 1.2901399742954676
Energy: 0.6969411832527452
Energy: 1.0722685360141775
Energy: 0.6993773708235013
Energy: 1.2935115083427384
Energy: 0.6993773708268384
Energy: 0.9810632863409808
Energy: 0.7898598898670569
Energy: 1.0666896475547774
Energy: 0.7898598898537087
Energy: 1.2016579314597418
Energy: 0.7757531537361027
Energy: 1.15286088124419
Energy: 0.7757531537361027
Energy: 1.069914311023456
Energy: 0.7772377241198846
Energy: 1.1475100995880647
Energy: 0.7772377241198846
Energy: 1.411517606779592
Energy: 0.713187280394746
Energy: 0.9006699948235176
Energy: 0.7131872803922431
Energy: 1.3746958431340741
Energy: 0.708236639880283
Energy: 0.7947495939183082
Energy: 0.7082366398777801
Energy: 1.1468113467983205
Energy: 0.712351853072978
Energy: 0.8909962822754164
Energy: 0.7123518530721438
Energy: 1.2842052792177059
Energy: 0.710347414407583
Energy: 0.7095146160095984
Energy: 0.71034741441092
Energy: 1.3722068993554144
Energy: 0.709639782411469
Energy: 0.7108068007597832
Energy: 0.7096397824106347
Energy: 1.2883624898133197
Energy: 0.7108015482250226
Energy: 0.7178637444926438
Energy: 0.7108015482225198

minimum gb energy = 0.6954637447164128 eV
minimum distance =  2.44108446717685 Angstroms
sigma value = 41


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

Energy: 1.6724918027494575
Energy: 0.6482790107993929
Energy: 0.9229255453920311
Energy: 0.6388500312699562
Energy: 1.1989942074429158
Energy: 0.6378019235075512
Energy: 0.7873433562513357
Energy: 0.637801923509603
Energy: 1.4447045321262866
Energy: 0.6366524697852408
Energy: 0.7971763737646181
Energy: 0.6366524697886606
Energy: 1.226264125384256
Energy: 0.6405406538689212
Energy: 0.968147121463849
Energy: 0.6405406538668693
Energy: 1.208089556866061
Energy: 0.6355082023545764
Energy: 1.0735040955599198
Energy: 0.6355082023914794
Energy: 1.1999787744888362
Energy: 0.6370169267114597
Energy: 1.0719288345680908
Energy: 0.6370169267346832
Energy: 1.2054560676953012
Energy: 0.7067169891661533
Energy: 1.2106637441580894
Energy: 0.7067169891654692
Energy: 1.0894911704724788
Energy: 0.7067605388056009
Energy: 1.083781225600123
Energy: 0.7067605388014971
Energy: 0.9396761571464473
Energy: 0.7038105149892956
Energy: 1.3229295940102224
Energy: 0.7038105149865598
Energy: 0.9412361323577154
Energy: 0.6359782048673995
Energy: 1.2095087129783268
Energy: 0.6359782048960947
Energy: 0.8057507617311208
Energy: 0.6379956413978676
Energy: 1.4809111851674852
Energy: 0.6379956419523127
Energy: 0.7937777286025971
Energy: 0.6362977566653706
Energy: 1.321837689421847
Energy: 0.6362977566660545
Energy: 0.7915003325601048
Energy: 0.6395426445168509
Energy: 1.3196986877218406
Energy: 0.6395426445154831
Energy: 0.6361433014257729
Energy: 0.640784729098616
Energy: 1.3172686368144675
Energy: 0.640784729098616
Energy: 0.6363554579886288
Energy: 0.63597465694964
Energy: 1.324321577114072
Energy: 0.63597465694964
Energy: 0.6375691122780688
Energy: 0.639625875812096
Energy: 1.4470710188484237
Energy: 0.639625875812096
Energy: 0.8036735416897955
Energy: 0.6421454636056076
Energy: 1.4538080399539361
Energy: 0.6421454635816689
Energy: 0.7884038375543273
Energy: 0.635541962893239
Energy: 1.4457373344073619
Energy: 0.635541962822822
Energy: 0.7924360791753159
Energy: 0.6410048838544856
Energy: 1.2039193787665723
Energy: 0.6410048838572213
Energy: 1.0773485164509058
Energy: 0.6388157292159
Energy: 1.2001188002537535
Energy: 0.6388157292179518
Energy: 1.1133043273443786
Energy: 0.6375365823995683
Energy: 1.3233045603144857
Energy: 0.6375365823961485
Energy: 1.0755978319940591
Energy: 0.6376034471928966
Energy: 1.2250789472514738
Energy: 0.6376034471963163
Energy: 1.324477287886696
Energy: 0.7027496833042005
Energy: 1.1986526084503253
Energy: 0.7027496833035165
Energy: 1.0869670691320623
Energy: 0.6378460173984302
Energy: 1.0754292796553533
Energy: 0.637846017397746
Energy: 1.3227262577772858
Energy: 0.7036179717913731
Energy: 0.9378258652664717
Energy: 0.7036179654770913
Energy: 1.3247742640594828
Energy: 0.6382052821090772
Energy: 1.0763770372120742
Energy: 0.6382052821090772
Energy: 1.3308719195437413
Energy: 0.6425984908160384
Energy: 0.7959428793432427
Energy: 0.6425984908167225
Energy: 1.2055761620508147
Energy: 0.6389257711693533
Energy: 0.787049239806943
Energy: 0.6389257711317354
Energy: 1.3309689330320493
Energy: 0.641510823255309
Energy: 0.8040653368730581
Energy: 0.641510823252573
Energy: 1.3228159705364182
Energy: 0.640403929313424
Energy: 0.6386128107533338
Energy: 0.640403929313424
Energy: 1.44501429776131
Energy: 0.6362498880439357
Energy: 0.6358327847593236
Energy: 0.6362498880507753
Energy: 1.4659048698994113
Energy: 0.6367005045433356
Energy: 0.637816298866821
Energy: 0.6367005045453563

minimum gb energy = 0.6355082023545764 eV
minimum distance =  2.4551878619102 Angstroms
sigma value = 15


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

Energy: 1.4412013143672224
Energy: 0.6027908276450631
Energy: 0.8874378898271729
Energy: 0.5934274897905905
Energy: 1.2921740041849203
Energy: 0.590794390441831
Energy: 0.7232547418115417
Energy: 0.5907943904395133
Energy: 1.5077561636987304
Energy: 0.5893620867335635
Energy: 0.7236650547649199
Energy: 0.5893620867283488
Energy: 1.314171963637558
Energy: 0.5926277178151343
Energy: 0.9909712440276416
Energy: 0.5926277178157138
Energy: 1.3008398269193449
Energy: 0.5866714994568242
Energy: 0.9673756038438863
Energy: 0.586671499442339
Energy: 1.2968090900999074
Energy: 0.5880464411697932
Energy: 0.9632148336905397
Energy: 0.5880464411732698
Energy: 1.089789118693841
Energy: 0.5904556996613418
Energy: 1.1890627073096582
Energy: 0.5904556996653977
Energy: 1.1971236820198203
Energy: 0.649673802804716
Energy: 0.9691544952838081
Energy: 0.6496738028041366
Energy: 1.0819971639250243
Energy: 0.6446241014739458
Energy: 1.1856254112181108
Energy: 0.6446241014727868
Energy: 1.0768738178454247
Energy: 0.7901211284086976
Energy: 1.303201423031992
Energy: 0.7901211284086976
Energy: 0.9781086001900674
Energy: 0.5898232636802975
Energy: 1.2014428649983253
Energy: 0.5898232636936239
Energy: 0.8455573227081252
Energy: 0.5866472970847194
Energy: 1.3982897244870753
Energy: 0.5866472970795047
Energy: 0.9665122243765392
Energy: 0.5875157024929855
Energy: 1.4014484856857132
Energy: 0.5875157024912472
Energy: 0.7375586138878876
Energy: 0.5927550450512992
Energy: 1.21333104869244
Energy: 0.5927550450524579
Energy: 0.7180409183012406
Energy: 0.5872281186835004
Energy: 1.3007711984690085
Energy: 0.5872281186863973
Energy: 0.7321272113010941
Energy: 0.5908240695611962
Energy: 1.4024894313502605
Energy: 0.5908240695606168
Energy: 0.5953817906118948
Energy: 0.5909198371908649
Energy: 1.4158804188397416
Energy: 0.5909198371908649
Energy: 0.58743977258962
Energy: 0.5888318987222144
Energy: 1.3003036475528562
Energy: 0.5888318987198967
Energy: 0.5962031148392305
Energy: 0.5918131302063098
Energy: 1.2974030639260472
Energy: 0.5918131302057303
Energy: 0.7342332462714584
Energy: 0.5903465731464558
Energy: 1.5171455375700957
Energy: 0.5903465731435588
Energy: 0.7129062495369866
Energy: 0.5873385036118879
Energy: 1.2990318117667439
Energy: 0.5873385036165233
Energy: 0.7346853145521745
Energy: 0.5924544282114131
Energy: 1.3124590785011523
Energy: 0.5924544282090956
Energy: 0.96493258573877
Energy: 0.5883193063932958
Energy: 1.2925659757085812
Energy: 0.588319306388081
Energy: 0.9672509897950525
Energy: 0.5866798151445843
Energy: 1.3993962300979481
Energy: 0.5866798151428462
Energy: 0.982929814470212
Energy: 0.5931477539946136
Energy: 1.094135686387802
Energy: 0.593147753981287
Energy: 1.1877890414542076
Energy: 0.7909529485411879
Energy: 1.30479550489062
Energy: 0.7909529485406086
Energy: 0.9652565298265015
Energy: 0.6448323877721359
Energy: 1.186368738773767
Energy: 0.6448323877744536
Energy: 1.1965159910643282
Energy: 0.6498918465184431
Energy: 1.097407837782491
Energy: 0.6498918465919759
Energy: 1.1883296195401685
Energy: 0.5901902505555562
Energy: 1.1887823799326376
Energy: 0.5901902505561356
Energy: 1.1918955068123491
Energy: 0.588348159492982
Energy: 0.9650484794376535
Energy: 0.588348159497038
Energy: 1.2976224677758363
Energy: 0.5868411188312418
Energy: 0.8435922239365966
Energy: 0.5868411188295036
Energy: 1.2007533193503483
Energy: 0.5918282568379357
Energy: 0.9772550208654546
Energy: 0.5918282568333004
Energy: 1.4019988726246115
Energy: 0.5889164369135637
Energy: 0.7231626317705019
Energy: 0.5889164369106666
Energy: 1.3961044423982945
Energy: 0.5901015961621793
Energy: 0.7300082862566775
Energy: 0.5901015961529086
Energy: 1.39660649572646
Energy: 0.5926332069829453
Energy: 0.5933155164784233
Energy: 0.59263320698816
Energy: 1.3963770932685502
Energy: 0.5897291278113904
Energy: 0.5879187081693428
Energy: 0.5897291278096523
Energy: 1.502937952302494
Energy: 0.5892688188695687
Energy: 0.5909435892894245
Energy: 0.589268818870148

minimum gb energy = 0.5866472970795047 eV
minimum distance =  2.45725948835774 Angstroms
sigma value = 85


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

Energy: 1.5409872518184144
Energy: 0.5372479999886286
Energy: 0.5363774170940847
Energy: 0.5362936982155462
Energy: 1.3488081474341522
Energy: 0.536559822133722
Energy: 0.6479108175194163
Energy: 0.5365598221332195
Energy: 1.348864749074215
Energy: 0.536279148005739
Energy: 0.6558797923522238
Energy: 0.5362791480253375
Energy: 1.1535598780465801
Energy: 0.54025039426169
Energy: 0.8962133979086667
Energy: 0.5402503942631977
Energy: 1.3556414015416756
Energy: 0.5340381711500247
Energy: 0.8664378586819627
Energy: 0.5340381711444969
Energy: 1.15774644632915
Energy: 0.535148441556957
Energy: 0.8716839249750268
Energy: 0.5351484415584645
Energy: 1.1626744412592818
Energy: 0.5353418229638225
Energy: 1.0672256786669356
Energy: 0.5353418229527898
Energy: 1.2597064213137341
Energy: 0.535492823011339
Energy: 0.8640083919204244
Energy: 0.5354928230048063
Energy: 1.1576905815245455
Energy: 0.5339859325713061
Energy: 1.0623920743085598
Energy: 0.5339859325753035
Energy: 1.162428274356023
Energy: 0.631402429556574
Energy: 1.2539140737452683
Energy: 0.6314024295615993
Energy: 1.0675278525475405
Energy: 0.5345040905409528
Energy: 1.1321062136467144
Energy: 0.5345040905695968
Energy: 0.9744011375178968
Energy: 0.534412295415037
Energy: 1.2543725252976197
Energy: 0.5344122830559013
Energy: 1.0620722778251446
Energy: 0.5357124675112515
Energy: 1.2537222405848614
Energy: 0.5357124675006985
Energy: 0.8779375932407285
Energy: 0.5391376039205733
Energy: 1.0769721789213793
Energy: 0.5391376039205733
Energy: 0.75108450697794
Energy: 0.5340491315219565
Energy: 1.4411997860115597
Energy: 0.5340491315199464
Energy: 0.8650196398534914
Energy: 0.5371891801060853
Energy: 1.2505739944781842
Energy: 0.5371891801065878
Energy: 0.6601838890544763
Energy: 0.5365151306277629
Energy: 1.2629553919650556
Energy: 0.5365151306282654
Energy: 0.6436486897495848
Energy: 0.5344538416217952
Energy: 1.3548687319836528
Energy: 0.5344538416212927
Energy: 0.6722509448246271
Energy: 0.5360941131286474
Energy: 1.4391950665547857
Energy: 0.5360941131291499
Energy: 0.5349215954025858
Energy: 0.5389545142060517
Energy: 1.438055840429551
Energy: 0.5389545142025342
Energy: 0.5355476088103506
Energy: 0.5348162398814157
Energy: 1.3543102272582062
Energy: 0.5348162398814157
Energy: 0.5348278434993188
Energy: 0.5358395811573563
Energy: 1.3516116824204722
Energy: 0.5358395811563513
Energy: 0.648083798036047
Energy: 0.5359394869463843
Energy: 1.5371570550088725
Energy: 0.5359394869458817
Energy: 0.6463013517594145
Energy: 0.5342112421674831
Energy: 1.3545039360818796
Energy: 0.5342112421669806
Energy: 0.6733884251304662
Energy: 0.535103292732254
Energy: 1.1588847662136188
Energy: 0.5351032927081556
Energy: 0.8694083227126673
Energy: 0.5348636693218621
Energy: 1.3491435285935822
Energy: 0.5348636693218621
Energy: 0.8655580563865162
Energy: 0.5343205129210371
Energy: 1.3487031378019665
Energy: 0.5343205129215396
Energy: 0.8815487997453333
Energy: 0.5350655364706133
Energy: 1.1554536092213588
Energy: 0.5350655369678852
Energy: 1.0692136153744793
Energy: 0.5342267236967068
Energy: 1.354039692314566
Energy: 0.5342267236936916
Energy: 1.065914073939094
Energy: 0.5348999034655169
Energy: 1.1585602027728055
Energy: 0.5348999034650144
Energy: 1.16959771802145
Energy: 0.6311216669540605
Energy: 0.9694965349764756
Energy: 0.6311216669505427
Energy: 1.065084604530412
Energy: 0.6307754127851403
Energy: 1.1684212478790847
Energy: 0.6307754127861452
Energy: 1.255793692856812
Energy: 0.5346265504772136
Energy: 0.9677403602067208
Energy: 0.5346265789110446
Energy: 1.3581980527304964
Energy: 0.5357132722610018
Energy: 0.9687938806238056
Energy: 0.5357132694315319
Energy: 1.0729977782434243
Energy: 0.535666886798406
Energy: 0.8664389381012488
Energy: 0.5356668867903657
Energy: 1.4420121180166794
Energy: 0.5341617294423554
Energy: 0.8669754849576622
Energy: 0.534161729369512
Energy: 1.4405187934954102
Energy: 0.5351489463437596
Energy: 0.8656697052170081
Energy: 0.5351489463432572
Energy: 1.2643828089790812
Energy: 0.5351956043109655
Energy: 0.6741277626342421
Energy: 0.5351956042762912
Energy: 1.3556162789042083
Energy: 0.5342289598200048
Energy: 0.6460812722289535
Energy: 0.5342289598195024
Energy: 1.4375945670482
Energy: 0.5367140485796774
Energy: 0.647821407052655
Energy: 0.5367140485796774
Energy: 1.2563740718366634
Energy: 0.534566608432824
Energy: 0.5358690229014701
Energy: 0.534566608431819
Energy: 1.355283846240889
Energy: 0.5344545300513674
Energy: 0.5347891642333691
Energy: 0.5344545300513674
Energy: 1.3492063447033356
Energy: 0.5351443943596789
Energy: 0.5343526139752247
Energy: 0.5351443943601814

minimum gb energy = 0.5339859325713061 eV
minimum distance =  2.45797513356976 Angstroms
sigma value = 113


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

Energy: 0.013511761274156915
Energy: 0.014406608065769247
Energy: 1.1952316373680536
Energy: 0.4768860816461962
Energy: 0.014561518251990814
Energy: 0.12602982627101028
Energy: 0.8319618725839649
Energy: 0.12602982626912163
Energy: 0.014064673395004137
Energy: 0.12495231030970087
Energy: 0.8336641204633111
Energy: 0.12495231031045205
Energy: 0.015402645282225022
Energy: 0.1244557661812996
Energy: 0.830569857749678
Energy: 0.12445576618093476
Energy: 0.8316727738964786
Energy: 0.12462418500852045
Energy: 0.8326246661989258
Energy: 0.12462418500474313
Energy: 0.014092820306404373
Energy: 0.12461220306224056
Energy: 0.8327177279078439
Energy: 0.12461220306224056

minimum gb energy = 0.013511761274156915 eV
minimum distance =  2.70522918994089 Angstroms
sigma value = 1