Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098513007164
cohesive_energy=4.242432871230321
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.73183642732292e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016398324086109264
Energy: 0.10642540593489574
Energy: 1.0688410021141448
Energy: 0.017002536195096753
Energy: 0.10642540593426716
Energy: 1.1989498765583015
Energy: 0.017002536195096753
Energy: 1.1989498765509334
Energy: 1.0688410021147383
Energy: 0.017002536195096753
Energy: 0.016398324086109264
Energy: 0.10642540593367351
Energy: 0.017002536195096753
Energy: 1.198949876551527
Energy: 0.10642540593367351
Energy: 1.1989498765509334

minimum gb energy = 0.016398324086109264 eV
minimum distance =  2.51546575312116 Angstroms
sigma value = 1


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

Energy: 1.0101052600265492
Energy: 0.8304199453834132
Energy: 0.8324431729893429
Energy: 0.7870774761275708
Energy: 0.8463137565925491
Energy: 0.8700670067046998
Energy: 0.8468754587268076
Energy: 0.8700670067054622
Energy: 0.8176763125563257
Energy: 0.8143056468281435
Energy: 0.8576028649152738
Energy: 0.8143056468258566
Energy: 0.8465407560902305
Energy: 0.850985170451621
Energy: 0.8468136054207902
Energy: 0.8509851704523833
Energy: 0.9225278050190268
Energy: 0.8488334927395899
Energy: 0.8476567434126961
Energy: 0.8488334927395899
Energy: 0.8458190609605001
Energy: 0.9945288420415019
Energy: 0.8471763172824709
Energy: 0.9945288420399773
Energy: 0.8463698747560127
Energy: 0.9964785997340202
Energy: 0.9193053564220304
Energy: 0.9964785997340202
Energy: 0.9211789853259398
Energy: 1.0731380781820834
Energy: 0.8543435352328111
Energy: 1.073138078182846
Energy: 0.8539423796060981
Energy: 1.0693038637058174
Energy: 0.8524563143818659
Energy: 1.06930386370658
Energy: 0.9168018023366911
Energy: 1.0690097147660655
Energy: 0.9270231458538606
Energy: 1.0690097147668278
Energy: 0.9158024345918943
Energy: 1.068719058314624
Energy: 0.8535942368570574
Energy: 1.0687190583153863
Energy: 0.9208171185405561
Energy: 1.0674140012210567
Energy: 0.8556026154477889
Energy: 1.0674140012202942
Energy: 0.8471042776583398
Energy: 0.9966253926168475
Energy: 0.9156538357585553
Energy: 0.9966253926168475
Energy: 0.8471520966732337
Energy: 0.9961023609286938
Energy: 0.9131098048856664
Energy: 0.9961023609286938
Energy: 0.9182833407163864
Energy: 0.8476977222989933
Energy: 0.8471776409747211
Energy: 0.8476977222982309
Energy: 0.8473245420790881
Energy: 0.8483999262404538
Energy: 0.8461299316744626
Energy: 0.8483999262389291
Energy: 0.8155095471801823
Energy: 0.8129803114205288
Energy: 0.7853548054837567
Energy: 0.8129803114205288
Energy: 0.8466322313196779
Energy: 0.8469190504881601
Energy: 0.907564802242426
Energy: 0.8469190504873979
Energy: 0.8573598312715703
Energy: 0.8188441694438876
Energy: 0.8184927739031592
Energy: 0.8188441694454123
Energy: 0.8489195438302116
Energy: 0.8466673679825937
Energy: 0.8462757992752955
Energy: 0.8466673679825937
Energy: 0.8494374602066284
Energy: 0.8465956882435657
Energy: 0.9226272165172604
Energy: 0.846595688244328
Energy: 0.8464225911118696
Energy: 0.8491765521969393
Energy: 0.8456370424889894
Energy: 0.8491765521977016
Energy: 0.9197184511978264
Energy: 0.9967502359324675
Energy: 0.9140461966877925
Energy: 0.996750235931705
Energy: 0.8535676026880483
Energy: 0.9952529280832995
Energy: 0.923714609940532
Energy: 0.9952529280825372
Energy: 0.8527282579876106
Energy: 1.0702799847303104
Energy: 0.8546279311352831
Energy: 1.070279984729548
Energy: 0.9294781933532221
Energy: 1.068027803145591
Energy: 0.9193392700790227
Energy: 1.0680278031448287
Energy: 0.8542068028767535
Energy: 1.0698727153693055
Energy: 0.9154793969814949
Energy: 1.0698727153677807
Energy: 0.9132015550458731
Energy: 1.0682332465022553
Energy: 0.9219850538560791
Energy: 1.0682332465030175
Energy: 0.9152752831013079
Energy: 0.9975201275709467
Energy: 0.8470665804588077
Energy: 0.9975201275701844
Energy: 0.9128024680151166
Energy: 0.9996233726955205
Energy: 0.8479892926042428
Energy: 0.9996233726955205
Energy: 0.8482861951223951
Energy: 0.8479030342682417
Energy: 0.9190899634071973
Energy: 0.8479030342682417
Energy: 0.8461923639993146
Energy: 0.8474488263482413
Energy: 0.8477367403554206
Energy: 0.8474488263482413
Energy: 0.7858306432294252
Energy: 0.8138596051643335
Energy: 0.8146893079858442
Energy: 0.8138596051658582

minimum gb energy = 0.7853548054837567 eV
minimum distance =  2.28456180204507 Angstroms
sigma value = 1


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

Energy: 1.9315286621982437
Energy: 0.8863120003219971
Energy: 0.8885488255347695
Energy: 0.8395978179327314
Energy: 0.9077290264531893
Energy: 0.928567510063777
Energy: 0.9078790619129986
Energy: 0.928567510063777
Energy: 0.870224242484991
Energy: 0.868170328969718
Energy: 0.9853872829117994
Energy: 0.868170328969718
Energy: 0.9064064166386507
Energy: 0.910201587225482
Energy: 0.9078817696701417
Energy: 0.910201587226351
Energy: 0.9126653037831639
Energy: 0.9087543004869993
Energy: 0.9075925537022106
Energy: 0.9087543004878685
Energy: 0.9067881205641217
Energy: 1.089529075923963
Energy: 0.9079651167463588
Energy: 1.0895290759257013
Energy: 0.9068160454276631
Energy: 1.0742935332114047
Energy: 0.9133682908022471
Energy: 1.074293533212274
Energy: 0.9913962911972128
Energy: 1.0743074365281438
Energy: 0.9734084491598085
Energy: 1.074307436529013
Energy: 0.9114391882878994
Energy: 1.1435257597991597
Energy: 0.8346852863680079
Energy: 1.1435257597982906
Energy: 0.912400918259823
Energy: 1.143157046822892
Energy: 0.9916172498773442
Energy: 1.1431570468185854
Energy: 0.9775105174392017
Energy: 1.0768352171141553
Energy: 0.9059468346507948
Energy: 1.0768352171115478
Energy: 0.9796831376546465
Energy: 1.0743681928419917
Energy: 0.9081599337460465
Energy: 1.0743681928419917
Energy: 0.9086824704717013
Energy: 0.9101464744621764
Energy: 0.9816345507307821
Energy: 0.9101464744630456
Energy: 0.9074287683914366
Energy: 0.9112643253626197
Energy: 0.9035562274403239
Energy: 0.9112643253617505
Energy: 0.8361841745582304
Energy: 0.8660063092638521
Energy: 0.8691368896113645
Energy: 0.8660063092603754
Energy: 0.9777047089963975
Energy: 0.9075033867498863
Energy: 0.9077543214653171
Energy: 0.9075033867507555
Energy: 0.8726148959666177
Energy: 0.8718086481429335
Energy: 0.9852700227989589
Energy: 0.8718086481411951
Energy: 0.906649253321156
Energy: 0.9074473667606487
Energy: 0.9084842197430787
Energy: 0.9074473667589104
Energy: 0.9808830232815579
Energy: 0.9078287686032606
Energy: 0.9088312300720963
Energy: 0.9078287686015222
Energy: 0.9066584352739141
Energy: 0.9103757607405777
Energy: 0.9082267736528319
Energy: 0.9103757607397085
Energy: 0.907757928537181
Energy: 1.0746951809056748
Energy: 0.9129536317133724
Energy: 1.074695180906544
Energy: 0.9899923780813221
Energy: 1.074601296358259
Energy: 0.9106061066411969
Energy: 1.0746012963599976
Energy: 0.9124537580399946
Energy: 1.1445219113659444
Energy: 0.8369758777368499
Energy: 1.1445219113659444
Energy: 0.9100385896334724
Energy: 1.142842568724998
Energy: 0.9854420947236042
Energy: 1.1428425687267363
Energy: 0.977493100145552
Energy: 1.0756183610985728
Energy: 0.9060745427045918
Energy: 1.0756183610977037
Energy: 0.9798376092154655
Energy: 1.073564941811618
Energy: 0.9089824771291729
Energy: 1.0735649418098798
Energy: 0.9089761443256499
Energy: 0.9103873092631423
Energy: 0.9810812063117241
Energy: 0.9103873092622731
Energy: 0.9076285909980527
Energy: 0.9102866046655861
Energy: 0.904905947441737
Energy: 0.9102866046647169
Energy: 0.836606660645324
Energy: 0.9075354838672298
Energy: 0.8675710771967148
Energy: 0.9075354838663607

minimum gb energy = 0.8346852863680079 eV
minimum distance =  2.25607288708106 Angstroms
sigma value = 25


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

Energy: 1.8309939648670595
Energy: 0.95463189657117
Energy: 0.9553562445995081
Energy: 0.9005475796501817
Energy: 0.9820831898212592
Energy: 0.9982935583002567
Energy: 0.9813339192880063
Energy: 0.9982935583002567
Energy: 0.9299913015516251
Energy: 0.9292611730249428
Energy: 0.9896425600017184
Energy: 0.9292611730249428
Energy: 0.9803836889668983
Energy: 0.9838389234027555
Energy: 0.9817557252935277
Energy: 0.9838389234037659
Energy: 0.981326960579693
Energy: 0.9835020512364312
Energy: 0.9816467946170961
Energy: 0.9835020512364312
Energy: 0.981231791262591
Energy: 1.1803853200361683
Energy: 0.9825052803410222
Energy: 1.1803853200361683
Energy: 0.9805183557069798
Energy: 1.1713831449306287
Energy: 0.9823438908875171
Energy: 1.1713831449316388
Energy: 1.0761303365391421
Energy: 1.1686141744931127
Energy: 1.045165838144002
Energy: 1.1686141744931127
Energy: 0.9803067794216407
Energy: 1.1716144999361284
Energy: 0.8961467896854944
Energy: 1.171614499935118
Energy: 0.981769975539342
Energy: 1.1736510690808615
Energy: 0.9817320828411895
Energy: 1.1736510690808615
Energy: 1.048004252292182
Energy: 0.9834207955138764
Energy: 0.9817804609760729
Energy: 0.9834207955138764
Energy: 0.9741145469249242
Energy: 0.9828546972683732
Energy: 0.9819225799193548
Energy: 0.9828546972673629
Energy: 0.9318983036979308
Energy: 0.929562081909022
Energy: 1.0558062133959838
Energy: 0.9295620819080115
Energy: 0.9813946601537963
Energy: 0.9810548254336074
Energy: 1.0649877063216187
Energy: 0.981054825432597
Energy: 0.9879926211397196
Energy: 0.9360300353304444
Energy: 0.9382860318119032
Energy: 0.9360300353304444
Energy: 1.0166589138718127
Energy: 0.9809476298507676
Energy: 0.9286540571924456
Energy: 0.9809476298497571
Energy: 0.9827534279698309
Energy: 0.981750411304227
Energy: 0.9816088454885782
Energy: 0.981750411304227
Energy: 0.9824507379968236
Energy: 0.9817287826717203
Energy: 0.9809391908140379
Energy: 0.9817287826707098
Energy: 0.9822439171958791
Energy: 1.1709193050764584
Energy: 0.9808451635300218
Energy: 1.1709193050774687
Energy: 0.909737920612711
Energy: 1.1709382975319924
Energy: 0.9812117673961539
Energy: 1.1709382975319924
Energy: 0.8928614840485041
Energy: 1.1740893372899477
Energy: 0.9801580848216369
Energy: 1.1740893372889374
Energy: 0.9873438269668084
Energy: 1.174484400691068
Energy: 0.9807017319409043
Energy: 1.1744844006920785
Energy: 0.9829876176588817
Energy: 0.9836829018409342
Energy: 1.0480072081086333
Energy: 0.9836829018409342
Energy: 0.9818977778474527
Energy: 0.9820271099618082
Energy: 0.9737452862110405
Energy: 0.9820271099607977
Energy: 0.8971261805588822
Energy: 0.9806804557188744
Energy: 0.9308586008196287
Energy: 0.9806804557188744

minimum gb energy = 0.8928614840485041 eV
minimum distance =  2.25751991021462 Angstroms
sigma value = 9


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

Energy: 1.1541680635419511
Energy: 1.0020587333966178
Energy: 1.034976299706986
Energy: 0.9735007472269543
Energy: 1.0135601819910074
Energy: 1.0773304378450879
Energy: 1.0755634273667152
Energy: 1.0773304378450879
Energy: 1.0030369324301254
Energy: 1.0030392261216057
Energy: 1.0212122723178954
Energy: 1.0030392261204004
Energy: 1.0025250950944375
Energy: 1.0766967514770909
Energy: 1.0756491357213642
Energy: 1.0766967514758856
Energy: 1.0932484824322874
Energy: 1.0772941132940312
Energy: 1.0754652844605637
Energy: 1.0772941132952367
Energy: 1.1634814522414432
Energy: 1.3178637568440748
Energy: 1.0754915383000196
Energy: 1.3178637568440748
Energy: 1.1795367614379704
Energy: 1.3142040237368549
Energy: 1.1641575271340832
Energy: 1.3142040237368549
Energy: 1.0939048803317433
Energy: 1.3165528669723918
Energy: 1.1655333358389273
Energy: 1.3165528669723918
Energy: 1.076210163228394
Energy: 1.0761112045117023
Energy: 1.125890877841398
Energy: 1.0761112045117023
Energy: 1.0755859564716208
Energy: 1.0767363598181423
Energy: 1.051568002405524
Energy: 1.076736359816937
Energy: 0.9667776157047675
Energy: 1.0031731585379369
Energy: 1.003478565213385
Energy: 1.0031731585379369
Energy: 1.1198044406220857
Energy: 1.0727284085286053
Energy: 1.014250125136017
Energy: 1.0727284085298106
Energy: 1.0156430061614077
Energy: 1.0135793516443092
Energy: 1.0215132967171767
Energy: 1.0135793516455145
Energy: 1.0023999974596183
Energy: 1.0727253844808526
Energy: 1.0822875394992428
Energy: 1.0727253844820577
Energy: 1.1696601746999187
Energy: 1.0738893034351218
Energy: 1.076553998901969
Energy: 1.0738893034351218
Energy: 1.1646535391465889
Energy: 1.0769047129501106
Energy: 1.0761655693965502
Energy: 1.0769047129513158
Energy: 1.1790290696275076
Energy: 1.318474853362216
Energy: 1.1638627187473036
Energy: 1.318474853362216
Energy: 1.1784236503208305
Energy: 1.3158684807115775
Energy: 1.1639298064821046
Energy: 1.3158684807103722
Energy: 1.0771903545635368
Energy: 1.0761864767248637
Energy: 0.9626236866205791
Energy: 1.0761864767236584
Energy: 1.0755481853897788
Energy: 1.0762169495102119
Energy: 0.9620402322132732
Energy: 1.0762169495102119
Energy: 0.9665428482649008
Energy: 1.002281011956786
Energy: 1.0036544663709634
Energy: 1.002281011956786

minimum gb energy = 0.9620402322132732 eV
minimum distance =  2.28058309661031 Angstroms
sigma value = 25


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

Energy: 1.3412026815774332
Energy: 1.1152633525022977
Energy: 1.1579388271735644
Energy: 1.0700869907681192
Energy: 1.126649448995383
Energy: 1.143566869674785
Energy: 1.1248899891032893
Energy: 1.143566869674785
Energy: 1.1134294673569802
Energy: 1.1130776837952006
Energy: 1.118500922756324
Energy: 1.1130776837952006
Energy: 1.1114643280003127
Energy: 1.144229261346976
Energy: 1.0876777792953194
Energy: 1.144229261346976
Energy: 1.0894213417183716
Energy: 1.262735255448691
Energy: 1.0881178134241474
Energy: 1.2627352554501816
Energy: 1.0607126335610628
Energy: 1.2620329794143996
Energy: 1.0876309131095483
Energy: 1.2620329794143996
Energy: 1.057320616090638
Energy: 1.2622757951765509
Energy: 1.0904321592657888
Energy: 1.2622757951765509
Energy: 1.0573937774018864
Energy: 1.2623562322203936
Energy: 1.0917957205099555
Energy: 1.2623562322203936
Energy: 1.1140210415574892
Energy: 1.1134230382102057
Energy: 1.1580180088084309
Energy: 1.113423038213187
Energy: 1.1245048740117127
Energy: 1.1124602273211814
Energy: 1.1571096969007275
Energy: 1.1124602273211814
Energy: 1.1177366322909228
Energy: 1.111995462239758
Energy: 1.1268798659103276
Energy: 1.111995462239758
Energy: 1.1168073651126784
Energy: 1.0614096608969923
Energy: 1.1132874629720628
Energy: 1.0614096608955017
Energy: 1.0876881718427762
Energy: 1.2692054462350555
Energy: 1.089600107173688
Energy: 1.2692054462350555
Energy: 1.0879896178978106
Energy: 1.262836217991056
Energy: 1.0625003982352919
Energy: 1.262836217991056
Energy: 1.0883925013463738
Energy: 1.2619810873332027
Energy: 1.0567141088981393
Energy: 1.2619810873332027
Energy: 1.0876675244943392
Energy: 1.2619502122670136
Energy: 1.0573962833668429
Energy: 1.2619502122670136
Energy: 1.1567376375478837
Energy: 1.11392572803183
Energy: 1.1125019535348615
Energy: 1.11392572803183

minimum gb energy = 1.0567141088981393 eV
minimum distance =  2.2857928958508 Angstroms
sigma value = 17


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

Energy: 2.040947449541681
Energy: 1.1959464059632392
Energy: 1.2464300862070248
Energy: 1.1681799426256236
Energy: 1.2381001641551819
Energy: 1.34449424981582
Energy: 1.2144055077047533
Energy: 1.34449424981582
Energy: 1.1308998828233265
Energy: 1.1312114867018068
Energy: 1.195648473337622
Energy: 1.1312114867018068
Energy: 1.1309071816971406
Energy: 1.342382689211032
Energy: 1.1299011765891391
Energy: 1.3423826892118766
Energy: 1.2214316196467747
Energy: 1.396317252976015
Energy: 1.2658003551303223
Energy: 1.3963172529751706
Energy: 1.1326516642969944
Energy: 1.3978609851428958
Energy: 1.1297040601300026
Energy: 1.39786098514374
Energy: 1.1562490341714629
Energy: 1.1300547337286624
Energy: 1.133408715729874
Energy: 1.1300547337286624
Energy: 1.2254568386927982
Energy: 1.129896441649844
Energy: 1.1573141681908676
Energy: 1.129896441650688
Energy: 1.2152566052272238
Energy: 1.1922930578776902
Energy: 1.1996483042459818
Energy: 1.1922930578785345
Energy: 1.1937646420329768
Energy: 1.1922393606895232
Energy: 1.2191468177667317
Energy: 1.1922393606903674
Energy: 1.2228084766511604
Energy: 1.1930352711039214
Energy: 1.1257580594762409
Energy: 1.1930352711030772
Energy: 1.191862760830021
Energy: 1.1930429486617011
Energy: 1.1877356376448909
Energy: 1.1930429486617011
Energy: 1.1532938718201973
Energy: 1.1960329874082403
Energy: 1.1888352684209404
Energy: 1.1960329874082403
Energy: 1.1536246689623948
Energy: 1.1937855289065291
Energy: 1.1259750386927743
Energy: 1.1937855289073733
Energy: 1.1916791317720006
Energy: 1.1907987366754977
Energy: 1.2313098300048442
Energy: 1.1907987366754977
Energy: 1.216211411858002
Energy: 1.1908721571125513
Energy: 1.2314731631173041
Energy: 1.190872157110863
Energy: 1.1957908466898974
Energy: 1.1306585392554236
Energy: 1.1578982699624827
Energy: 1.1306585392554236
Energy: 1.1960880977639412
Energy: 1.130412310340633
Energy: 1.1312527363993263
Energy: 1.130412310340633
Energy: 1.1302089385947838
Energy: 1.3963237792824936
Energy: 1.223953287115797
Energy: 1.3963237792824936
Energy: 1.2748488465833023
Energy: 1.3989944182345233
Energy: 1.1342796672244035
Energy: 1.3989944182345233
Energy: 1.1319450187292535
Energy: 1.1306078907466055
Energy: 1.225563220877369
Energy: 1.1306078907466055
Energy: 1.1599380966846053
Energy: 1.157302719321164
Energy: 1.1562095509543704
Energy: 1.157302719321164
Energy: 1.1771726727582463
Energy: 1.1919806082676465
Energy: 1.214776705040071
Energy: 1.1919806082676465
Energy: 1.1993689380107693
Energy: 1.192233854757562
Energy: 1.1924177669083236
Energy: 1.192233854757562
Energy: 1.1886593786752826
Energy: 1.194150910997857
Energy: 1.192411746690071
Energy: 1.194150910997857
Energy: 1.1877800266874368
Energy: 1.1934099898461237
Energy: 1.2234977747304385
Energy: 1.1934099898469677
Energy: 1.1250169008586441
Energy: 1.2699843020060837
Energy: 1.155016941524001
Energy: 1.2699843020052395
Energy: 1.188819516368109
Energy: 1.1930153882249506
Energy: 1.1534545138216266
Energy: 1.1930153882257946
Energy: 1.1898476255165336
Energy: 1.3418023326781054
Energy: 1.1533938293635109
Energy: 1.3418023326781054
Energy: 1.231670612399755
Energy: 1.1921910093104748
Energy: 1.191322485488262
Energy: 1.1921910093104748

minimum gb energy = 1.1250169008586441 eV
minimum distance =  2.28871284112526 Angstroms
sigma value = 53


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

Energy: 1.848114452691761
Energy: 1.1782708246052345
Energy: 1.2479635141561876
Energy: 1.1229815084526138
Energy: 1.179672333170806
Energy: 1.1772022112094584
Energy: 1.1805024024612043
Energy: 1.1772022112094584
Energy: 1.1777923026124026
Energy: 1.178839210980305
Energy: 1.2002857627176964
Energy: 1.178839210980305
Energy: 1.1795826963587648
Energy: 1.1809497195861371
Energy: 1.1775940037968469
Energy: 1.1809497195861371
Energy: 1.1971831230430987
Energy: 1.1805144546974433
Energy: 1.1052859032167572
Energy: 1.1805144546974433
Energy: 1.1767948650146653
Energy: 1.1818734961715738
Energy: 1.1054128702307193
Energy: 1.1818734961696746
Energy: 1.2345796643439841
Energy: 1.177459763873063
Energy: 1.1809600199857488
Energy: 1.1774597638750066
Energy: 1.2340982874806272
Energy: 1.1772460410543877
Energy: 1.1769702335482382
Energy: 1.1772460410543877
Energy: 1.179666712711804
Energy: 1.178109749303171
Energy: 1.1999233047296094
Energy: 1.1781097493012274
Energy: 1.178284234038929
Energy: 1.1772221060851347
Energy: 1.1779615388571403
Energy: 1.1772221060812478
Energy: 1.1968960208122759
Energy: 1.1830955306725124
Energy: 1.106079320174403
Energy: 1.1830955306725124
Energy: 1.179894799293117
Energy: 1.180240434276038
Energy: 1.1089471288969632
Energy: 1.180240434276038
Energy: 1.2343229578076205
Energy: 1.1770965567657874
Energy: 1.176970254696348
Energy: 1.1770965567657874

minimum gb energy = 1.1052859032167572 eV
minimum distance =  2.2865133831596 Angstroms
sigma value = 9


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

Energy: 1.7468862147707263
Energy: 1.2299244270869067
Energy: 1.317785904728421
Energy: 1.196869624344616
Energy: 1.2275533896638438
Energy: 1.1676713626894937
Energy: 1.322185792722418
Energy: 1.1676713626894937
Energy: 1.1677078963234382
Energy: 1.1690467662064954
Energy: 1.2292865710259049
Energy: 1.1690467662057762
Energy: 1.171804460556293
Energy: 1.1689099613163336
Energy: 1.276426841918377
Energy: 1.1689099613163336
Energy: 1.1696434131207027
Energy: 1.1674654489558698
Energy: 1.2744738520210819
Energy: 1.1674654489558698
Energy: 1.2242004504435173
Energy: 1.167401937755203
Energy: 1.274239048163133
Energy: 1.167401937755203
Energy: 1.318851633176401
Energy: 1.2283557492606583
Energy: 1.3154117928683424
Energy: 1.2283557492606583
Energy: 1.319043327170939
Energy: 1.2271127515455817
Energy: 1.2289090254457675
Energy: 1.2271127515455817
Energy: 1.160683841473431
Energy: 1.382504182619661
Energy: 1.2021323177925147
Energy: 1.382504182619661
Energy: 1.1950311381887362
Energy: 1.3543406352554261
Energy: 1.2321422584957145
Energy: 1.3543406352539875
Energy: 1.157109991614938
Energy: 1.1565509617933676
Energy: 1.3461582001586694
Energy: 1.1565509617868936
Energy: 1.2574069597620976
Energy: 1.215483517830193
Energy: 1.2787413832207253
Energy: 1.2154835178309122
Energy: 1.3159856775476109
Energy: 1.1575223544554458
Energy: 1.3325555771515356
Energy: 1.1575223544554458
Energy: 1.3158742484789578
Energy: 1.1581070987205246
Energy: 1.1617003803402473
Energy: 1.158107098721963
Energy: 1.2265649139357315
Energy: 1.3541468611665703
Energy: 1.1986792784601095
Energy: 1.3541468611672893
Energy: 1.1765086327781968
Energy: 1.3795558805922166
Energy: 1.198454280416758
Energy: 1.3795558805922166
Energy: 1.2335707649445427
Energy: 1.38149260712768
Energy: 1.1612433369771868
Energy: 1.3814926071269609
Energy: 1.2266627791426823
Energy: 1.2290739023344148
Energy: 1.2828296004529551
Energy: 1.2290739023336956
Energy: 1.3195187532625035
Energy: 1.2273042022350857
Energy: 1.3047200617400605
Energy: 1.2273042022372436
Energy: 1.229049875186544
Energy: 1.169017650240744
Energy: 1.1681348531790403
Energy: 1.169017650240025
Energy: 1.3172420521187438
Energy: 1.1681594049255735
Energy: 1.1706879933204848
Energy: 1.1681594049262929
Energy: 1.2741183393367772
Energy: 1.1669621197911884
Energy: 1.167634680805118
Energy: 1.1669621197904694
Energy: 1.2744475611439423
Energy: 1.1678317087358947
Energy: 1.2231044376049698
Energy: 1.1678317087358947
Energy: 1.314938727258291
Energy: 1.227774301942105
Energy: 1.3191671060115475
Energy: 1.227774301942105
Energy: 1.2292625706206666
Energy: 1.2275170753289304
Energy: 1.3188646772288053
Energy: 1.2275170753289304
Energy: 1.2006121989818466
Energy: 1.4263895641360105
Energy: 1.159172592833441
Energy: 1.4263895641432038
Energy: 1.2328875589113633
Energy: 1.3541076351809025
Energy: 1.1943799457735147
Energy: 1.354107635181622
Energy: 1.346190616225251
Energy: 1.1570690868554554
Energy: 1.1580974128349062
Energy: 1.1570690868561746
Energy: 1.2784174966476844
Energy: 1.1729051331243956
Energy: 1.2026741039369429
Energy: 1.1729051331243956
Energy: 1.3343579841051825
Energy: 1.157709416520556
Energy: 1.3162454756947524
Energy: 1.1577094165212753
Energy: 1.1619521427161748
Energy: 1.1585557004382505
Energy: 1.2319982613731437
Energy: 1.1585557004375313
Energy: 1.1660451009258817
Energy: 1.3336153009165512
Energy: 1.227693026021788
Energy: 1.3336153009165512
Energy: 1.1992900151109858
Energy: 1.3778101304351336
Energy: 1.1762254943475665
Energy: 1.3778101304351336
Energy: 1.159565444039586
Energy: 1.380470540401219
Energy: 1.1843064673680195
Energy: 1.3804705404004998
Energy: 1.2821711797336401
Energy: 1.2282449484986002
Energy: 1.2353715645187149
Energy: 1.228244948500039

minimum gb energy = 1.1565509617868936 eV
minimum distance =  2.28669664851288 Angstroms
sigma value = 73


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

Energy: 1.8613874431169983
Energy: 1.1822250036498052
Energy: 1.1804437296097616
Energy: 1.1608617980067346
Energy: 1.138016933448337
Energy: 1.1667525417338074
Energy: 1.2032319822958113
Energy: 1.1667525417338074
Energy: 1.1402166740865485
Energy: 1.1669654029354364
Energy: 1.2045656712296715
Energy: 1.1669654029365777
Energy: 1.1666960929650816
Energy: 1.166939343692301
Energy: 1.2423946922929152
Energy: 1.1669393436911597
Energy: 1.1745302075326158
Energy: 1.1729700905035345
Energy: 1.2726363254634716
Energy: 1.1729700905046758
Energy: 1.193802747170031
Energy: 1.173047875383209
Energy: 1.2727647444701604
Energy: 1.173047875383209
Energy: 1.226618837324998
Energy: 1.2120660719909773
Energy: 1.2698562725624236
Energy: 1.2120660719909773
Energy: 1.227310171286443
Energy: 1.2110204240494702
Energy: 1.2123025547821586
Energy: 1.2110204240494702
Energy: 1.1733710347955633
Energy: 1.5313764911509833
Energy: 1.2108860707807234
Energy: 1.5313764911521246
Energy: 1.1991753622763557
Energy: 1.3834041888718425
Energy: 1.2124598629944818
Energy: 1.3834041888707016
Energy: 1.174600811611462
Energy: 1.1077651670694106
Energy: 1.1106555627357162
Energy: 1.1077651670694106
Energy: 1.186904106091273
Energy: 1.1099229743240024
Energy: 1.2413443372813142
Energy: 1.1099229743240024
Energy: 1.2040913076409252
Energy: 1.306413805468335
Energy: 1.209012425395916
Energy: 1.3064138054694763
Energy: 1.2040714920646127
Energy: 1.1562014297439986
Energy: 1.1550398566410867
Energy: 1.1562014297428573
Energy: 1.2294774153951498
Energy: 1.20078349731912
Energy: 1.1577263371680042
Energy: 1.20078349731912
Energy: 1.2724153526538344
Energy: 1.1991498852874243
Energy: 1.162031884844269
Energy: 1.1991498852874243
Energy: 1.2724306983372915
Energy: 1.1973809262358246
Energy: 1.205800929674102
Energy: 1.1973809262358246
Energy: 1.2122076142719103
Energy: 1.258189062427014
Energy: 1.2273026274126906
Energy: 1.258189062427014
Energy: 1.1904185498824635
Energy: 1.1887633846405394
Energy: 1.226490558704399
Energy: 1.1887633846405394
Energy: 1.243670209992102
Energy: 1.2986672394350474
Energy: 1.1810248974895623
Energy: 1.2986672394361887
Energy: 1.1884438918523574
Energy: 1.395834994654297
Energy: 1.2004073451551418
Energy: 1.3958349946531556
Energy: 1.2813112571685465
Energy: 1.180265430584865
Energy: 1.183805896409049
Energy: 1.1802654305860063

minimum gb energy = 1.1077651670694106 eV
minimum distance =  2.27455746876071 Angstroms
sigma value = 7


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

Energy: 1.3919761956224597
Energy: 1.1862617898428789
Energy: 1.2998407168982156
Energy: 1.148770739475728
Energy: 1.2100837284880417
Energy: 1.3626430491070416
Energy: 1.2844322183824683
Energy: 1.3626430490739907
Energy: 1.143474871421673
Energy: 1.2016488413206723
Energy: 1.2509330665849459
Energy: 1.2016488413206723
Energy: 1.1525978332006095
Energy: 1.1534145696419038
Energy: 1.28130381015557
Energy: 1.1534145696394829
Energy: 1.1487389455242123
Energy: 1.145422216934363
Energy: 1.2384763729027854
Energy: 1.1454222169359771
Energy: 1.309774217030409
Energy: 1.145253713697788
Energy: 1.2439454689258675
Energy: 1.1452537136961742
Energy: 1.2821255639880975
Energy: 1.1458081365525756
Energy: 1.3073788535489208
Energy: 1.1458081365549966
Energy: 1.282090854050738
Energy: 1.1443755024820625
Energy: 1.145232676938235
Energy: 1.1443755024780276
Energy: 1.3177795937936587
Energy: 1.199636402082059
Energy: 1.1998232537332438
Energy: 1.1996364020812518
Energy: 1.2336444524516712
Energy: 1.4599560525800455
Energy: 1.1423991233689519
Energy: 1.459956052552607
Energy: 1.2807954869198477
Energy: 1.1823741267364418
Energy: 1.3080171666555698
Energy: 1.1823741267356347
Energy: 1.1898850320074092
Energy: 1.1839338728228268
Energy: 1.2853449785493434
Energy: 1.1839338728260183
Energy: 1.187720534051894
Energy: 1.3632569883461085
Energy: 1.1857653284136496
Energy: 1.3632569883453014
Energy: 1.1828367026150957
Energy: 1.2964851752247213
Energy: 1.241708485036217
Energy: 1.2964851752239142
Energy: 1.185568871157328
Energy: 1.3632151362833087
Energy: 1.134185767070228
Energy: 1.3632151362784666
Energy: 1.323704343478076
Energy: 1.1839403108766418
Energy: 1.190167030800407
Energy: 1.183940310879063
Energy: 1.322969886290007
Energy: 1.1814618894651223
Energy: 1.2820287012404095
Energy: 1.1814618894651223
Energy: 1.143273044063384
Energy: 1.4606273304897637
Energy: 1.2525546901794553
Energy: 1.460627330491378
Energy: 1.2002574074006076
Energy: 1.2002310866989587
Energy: 1.2828167792136396
Energy: 1.2002310866997659
Energy: 1.1444257365158623
Energy: 1.1439043159711475
Energy: 1.3201088713939302
Energy: 1.1439043159711475
Energy: 1.306805725601028
Energy: 1.1455177176910232
Energy: 1.238428040969085
Energy: 1.1455177176910232
Energy: 1.281891244496115
Energy: 1.1453391990645103
Energy: 1.3093728939787017
Energy: 1.1453391990645103
Energy: 1.282469221290934
Energy: 1.1453219486288244
Energy: 1.1466570463103145
Energy: 1.1453219486288244
Energy: 1.3162698527538887
Energy: 1.2010734346044647
Energy: 1.1473894289625515
Energy: 1.2010734346052718
Energy: 1.2335930883219595
Energy: 1.201810835833073
Energy: 1.144053174923668
Energy: 1.2018108358298452
Energy: 1.238255735771741
Energy: 1.3629836122271697
Energy: 1.2101309377712752
Energy: 1.3629836122263626
Energy: 1.1826391084716126
Energy: 1.1849475798725715
Energy: 1.8634734154284476
Energy: 1.1849475798733786
Energy: 1.18492396998125
Energy: 1.3638212328230588
Energy: 1.180977496498921
Energy: 1.3638212328214447
Energy: 1.2498996744504964
Energy: 1.2991816768832554
Energy: 1.187144039306888
Energy: 1.2991816768824485
Energy: 1.1826678574795844
Energy: 1.413173055145947
Energy: 1.2405536206482266
Energy: 1.413173055145947
Energy: 1.3232724715910629
Energy: 1.181951708835486
Energy: 1.1869582595957444
Energy: 1.181951708834679

minimum gb energy = 1.134185767070228 eV
minimum distance =  2.28589145663539 Angstroms
sigma value = 29


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

Energy: 1.1933292931180888
Energy: 1.3590086560586618
Energy: 1.0823310295151798
Energy: 1.195119476751839
Energy: 1.0800657743421
Energy: 1.1558613099399981
Energy: 1.0798323418865974
Energy: 1.1558613099399981
Energy: 1.0809280417840044
Energy: 1.1568831842049785
Energy: 1.1396207859107634
Energy: 1.1568831842044163
Energy: 1.0797922194900749
Energy: 1.0808935190598294
Energy: 1.0793225901590524
Energy: 1.0808935190606417
Energy: 1.0800279265481099
Energy: 1.0810163074644608
Energy: 1.0818807361681515
Energy: 1.0810163074650232
Energy: 1.078789826100657
Energy: 1.156487934299377
Energy: 1.0803720830684722
Energy: 1.156487934298846
Energy: 1.139987992904207
Energy: 1.1566969883386746
Energy: 1.0793726144065943
Energy: 1.1566969883386746
Energy: 1.0791028409566312
Energy: 1.0835074746337492
Energy: 1.0774599537442988
Energy: 1.08350747463403
Energy: 1.075910266001734
Energy: 1.1399648570287695
Energy: 1.0813097960411713
Energy: 1.1399648570282073

minimum gb energy = 1.075910266001734 eV
minimum distance =  2.26674886233268 Angstroms
sigma value = 5


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

Energy: 1.4045864298259167
Energy: 1.0913462811617753
Energy: 1.2732711734909088
Energy: 1.0819754379437116
Energy: 1.348568789066712
Energy: 1.071424338896043
Energy: 1.2363702800042167
Energy: 1.071424338896043
Energy: 1.2366651695826876
Energy: 1.1665711407728616
Energy: 1.2425437210866352
Energy: 1.1665711407728616
Energy: 1.0906405704296536
Energy: 1.0968595393563616
Energy: 1.2402570220670277
Energy: 1.0968595393548366
Energy: 1.239546461441874
Energy: 1.0733659562414302
Energy: 1.351757989352283
Energy: 1.0733659562414302
Energy: 1.0756230995387455
Energy: 1.0739662182418357
Energy: 1.3499728007802592
Energy: 1.073966218242598
Energy: 1.107284790920437
Energy: 1.108117072589069
Energy: 1.3412279810631837
Energy: 1.1081170725875444
Energy: 1.0717233977265983
Energy: 1.0721541399518886
Energy: 1.394925478409429
Energy: 1.072154139952651
Energy: 1.3027743793896582
Energy: 1.126548423874144
Energy: 1.3843675207710955
Energy: 1.1265484238749062
Energy: 1.2732499034260851
Energy: 1.0677386335767376
Energy: 1.0721367271014348
Energy: 1.0677386335775
Energy: 1.3015252646789035
Energy: 1.0683769609559872
Energy: 1.0684179932856062
Energy: 1.0683769609559872
Energy: 1.3888502335968136
Energy: 1.0693825564676624
Energy: 1.0709443111495307
Energy: 1.0693825564676624
Energy: 1.39222221564122
Energy: 1.058156880884779
Energy: 1.343343396281514
Energy: 1.0581568808855415
Energy: 1.2997955361071718
Energy: 1.112998889942373
Energy: 1.2430888410146528
Energy: 1.112998889942373
Energy: 1.0740277573436867
Energy: 1.0773472788950884
Energy: 1.2393685482256704
Energy: 1.0773472788966132
Energy: 1.0713853847343113
Energy: 1.071685828611338
Energy: 1.3455969221549167
Energy: 1.071685828610576
Energy: 1.0712017938337517
Energy: 1.0887642688982462
Energy: 1.0947963818890427
Energy: 1.088764268899771
Energy: 1.2355334471906971
Energy: 1.07105916881475
Energy: 1.3066390357758115
Energy: 1.07105916881475
Energy: 1.2675098710709845
Energy: 1.1671518041284827
Energy: 1.2359774030081596
Energy: 1.1671518041284827
Energy: 1.2376233802602592
Energy: 1.0989280422019643
Energy: 1.1337025850074973
Energy: 1.0989280422019643
Energy: 1.349307889739341
Energy: 1.0732055005485492
Energy: 1.2384917379049039
Energy: 1.0732055005462624
Energy: 1.352687585685722
Energy: 1.0737353605310032
Energy: 1.0785082808860627
Energy: 1.0737353605302407
Energy: 1.342466389025158
Energy: 1.1072577122540561
Energy: 1.074622432125534
Energy: 1.1072577122540561
Energy: 1.3922979710478727
Energy: 1.0732988213631873
Energy: 1.0717523552547312
Energy: 1.0732988213631873
Energy: 1.3871795811548633
Energy: 1.1143697824758516
Energy: 1.3011341941987935
Energy: 1.1143697824750896
Energy: 1.0692960382813765
Energy: 1.0684577246254974
Energy: 1.272765803980392
Energy: 1.0684577246239728
Energy: 1.0685837441764676
Energy: 1.068315051124439
Energy: 1.3021870600373358
Energy: 1.0683150511252015
Energy: 1.0685922571339455
Energy: 1.0682128966462379
Energy: 1.3035052525046142
Energy: 1.0682128966454758
Energy: 1.1908723267637675
Energy: 1.0587330989854538
Energy: 1.3945722995245893
Energy: 1.0587330989854538
Energy: 1.2409427508861934
Energy: 1.113077482657965
Energy: 1.3003697282267652
Energy: 1.1130774826564402
Energy: 1.2414069939878147
Energy: 1.0729986973335934
Energy: 1.0730020129713675
Energy: 1.0729986973335934
Energy: 1.3442907130311983
Energy: 1.07291798273895
Energy: 1.073307654901868
Energy: 1.0729179827381874
Energy: 1.0914721128256486
Energy: 1.077746572745918
Energy: 1.080812201010427
Energy: 1.0777465727466802

minimum gb energy = 1.058156880884779 eV
minimum distance =  2.30084247341098 Angstroms
sigma value = 1


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

Energy: 1.4766480358724627
Energy: 1.034989896897329
Energy: 1.2133987442515175
Energy: 1.0026543412734208
Energy: 1.3972151387524776
Energy: 1.0161673586080622
Energy: 1.243408759002282
Energy: 1.0161673586080622
Energy: 1.24321108436559
Energy: 1.122410379420161
Energy: 1.2419637736253721
Energy: 1.122410379420161
Energy: 1.0592725870729667
Energy: 1.3279453626269633
Energy: 1.245891813687947
Energy: 1.3279453626269633
Energy: 1.2469088449210772
Energy: 1.019025808050839
Energy: 1.400386753858703
Energy: 1.019025808050839
Energy: 1.02107154566093
Energy: 1.019453026945388
Energy: 1.401435024220045
Energy: 1.019453026945388
Energy: 1.0316521190969783
Energy: 1.0324865334610522
Energy: 1.39772061355523
Energy: 1.0324865334621065
Energy: 1.0168833575378093
Energy: 1.0169238334065844
Energy: 1.449622354253548
Energy: 1.0169238334076385
Energy: 1.4000552043783145
Energy: 1.0754965611649656
Energy: 1.4536566199547762
Energy: 1.0754965611649656
Energy: 1.2666918651869876
Energy: 1.0168805775504242
Energy: 1.018194509816559
Energy: 1.0168805775514784
Energy: 1.3980426464060494
Energy: 1.0331084741605434
Energy: 1.0313127566686997
Energy: 1.033108474157381
Energy: 1.4571282755771977
Energy: 1.0184782613785766
Energy: 1.0192529057791826
Energy: 1.0184782613785766
Energy: 1.4526051743571964
Energy: 1.020052954856324
Energy: 1.2418593349300726
Energy: 1.0200529548594859
Energy: 1.3989789462788675
Energy: 1.0179373219312422
Energy: 1.2419633146936855
Energy: 1.0179373219312422
Energy: 1.0333435958118098
Energy: 1.1214685082245666
Energy: 1.2438456841637382
Energy: 1.1214685082235123
Energy: 1.031853997318875
Energy: 1.3113293257134762
Energy: 1.4023829494293045
Energy: 1.3113293257113678
Energy: 1.035189093842878
Energy: 1.0326066405181034
Energy: 1.2503211309680822
Energy: 1.0326066405181034
Energy: 1.0166468377007996
Energy: 1.0169683871971182
Energy: 1.4028608434572332
Energy: 1.016968387196064
Energy: 1.0314585018479583
Energy: 1.03229030151602
Energy: 1.4516766857444676
Energy: 1.0322903015170743
Energy: 1.0208466298212302
Energy: 1.0783462280884684
Energy: 1.449678473675674
Energy: 1.0783462280895224
Energy: 1.2474279307498588
Energy: 1.0358999682739507
Energy: 1.398295484599277
Energy: 1.035899968275005
Energy: 1.249392882694431
Energy: 1.0170761466696658
Energy: 1.0173535274308507
Energy: 1.0170761466717737
Energy: 1.3988985666558795
Energy: 1.0199262462161762
Energy: 1.0189528502706457
Energy: 1.0199262462161762
Energy: 1.452784713888821
Energy: 1.0209037064649666
Energy: 1.019843587169286
Energy: 1.0209037064628586

minimum gb energy = 1.0026543412734208 eV
minimum distance =  2.28888667897203 Angstroms
sigma value = 17


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

Energy: 1.5566549928759823
Energy: 1.0222406239807198
Energy: 1.2342494600278944
Energy: 0.9999878326211054
Energy: 1.2543985595562377
Energy: 1.0103245420745526
Energy: 1.1553561314196936
Energy: 1.0103245420732496
Energy: 1.2845744626618962
Energy: 1.2386578252405003
Energy: 1.1635213915607507
Energy: 1.2386578252405003
Energy: 1.29320283965509
Energy: 1.0650375356755977
Energy: 1.162541980286136
Energy: 1.0650375356749462
Energy: 1.2828617731624952
Energy: 0.9963509351858422
Energy: 1.420998459719909
Energy: 0.9963509351851907
Energy: 0.9971971280118223
Energy: 0.9971806459795058
Energy: 1.5113383301528378
Energy: 0.9971806459788545
Energy: 0.9962825710497466
Energy: 0.9966754226233647
Energy: 1.3494269876079616
Energy: 0.9966754226233647
Energy: 0.9978542223083589
Energy: 0.9971644313993222
Energy: 1.552512160974936
Energy: 0.9971644313999737
Energy: 1.4119444169514015
Energy: 0.9973791429225759
Energy: 1.4741036376757084
Energy: 0.9973791429219245
Energy: 1.170039602247255
Energy: 1.0608790319298267
Energy: 1.1586385466469855
Energy: 1.0608790319285237
Energy: 1.411992406898554
Energy: 1.0197063636567385
Energy: 1.038024928219403
Energy: 1.0197063636567385
Energy: 1.5101820989992187
Energy: 1.0126245238876075
Energy: 1.1595468211272006
Energy: 1.0126245238876075
Energy: 1.5155803802274948
Energy: 1.0192990771403017
Energy: 1.021217758684373
Energy: 1.0192990771403017
Energy: 1.3891864690797122
Energy: 1.0182590370023408
Energy: 1.0160693534054306
Energy: 1.0182590370016895
Energy: 1.290798530963935
Energy: 1.0141453615707556
Energy: 1.0108266935199037
Energy: 1.0141453615701042
Energy: 1.5458314474114883
Energy: 1.0181714498716237
Energy: 1.5032751985821327
Energy: 1.0181714498696692
Energy: 1.0146314708072859
Energy: 1.0111953968823169
Energy: 1.423942409684697
Energy: 1.0111953968829681
Energy: 1.01893540332358
Energy: 1.019597432364345
Energy: 1.506350313889648
Energy: 1.0195974323649966
Energy: 1.010277682925095
Energy: 1.010482906458951
Energy: 1.4722189181368237
Energy: 1.0104829064602538
Energy: 1.1600315947511317
Energy: 1.0202948995685561
Energy: 1.5546909500982204
Energy: 1.0202948995692076
Energy: 1.1566447450256556
Energy: 1.0114041998056749
Energy: 1.2542504483750945
Energy: 1.0114041998063263
Energy: 1.1586855327498211
Energy: 1.239486433240239
Energy: 1.2864811554957134
Energy: 1.2394864332415423
Energy: 1.1658111273186982
Energy: 1.0646519285820548
Energy: 1.2906442981748723
Energy: 1.064651928582706
Energy: 1.422406554918439
Energy: 0.9962665944279927
Energy: 1.1471214923131616
Energy: 0.9962665944266899
Energy: 1.509089244478912
Energy: 0.9972205995365344
Energy: 0.9979902542814562
Energy: 0.9972205995365344
Energy: 1.3494964497172142
Energy: 0.9963025695112031
Energy: 0.9955162833366574
Energy: 0.9963025695105515
Energy: 1.5550997496048806
Energy: 0.9979282721082585
Energy: 0.999399457492614
Energy: 0.9979282721082585
Energy: 1.4701629158094929
Energy: 0.996948797894129
Energy: 1.4132923304697809
Energy: 0.9969487978934776
Energy: 1.1573379185065524
Energy: 1.0594981975285085
Energy: 1.1683217564259276
Energy: 1.0594981975298114
Energy: 1.0372739924390242
Energy: 1.0204295141995792
Energy: 1.4134184384096296
Energy: 1.0204295141950188
Energy: 1.1625650182329643
Energy: 1.0178961293762798
Energy: 1.5122043263443725
Energy: 1.0178961293782343
Energy: 1.019751940938906
Energy: 1.0202715668912172
Energy: 1.5134645098049808
Energy: 1.0202715668912172
Energy: 1.0186117982795662
Energy: 1.0192760155507044
Energy: 1.3894976866378395
Energy: 1.0192760155513556
Energy: 1.0114028372488477
Energy: 1.0107083167328503
Energy: 1.2940995783463565
Energy: 1.0107083167335018
Energy: 1.5049688249279032
Energy: 1.0199977156833977
Energy: 1.5425953080400079
Energy: 1.0199977156833977
Energy: 1.4266114871669067
Energy: 1.0116220772128557
Energy: 1.0129411157704566
Energy: 1.0116220772122042
Energy: 1.5040412747665888
Energy: 1.019590256620587
Energy: 1.0186576822317828
Energy: 1.019590256619284
Energy: 1.4747596563243885
Energy: 1.0105702915013817
Energy: 1.0115530499258119
Energy: 1.010570291500079

minimum gb energy = 0.9955162833366574 eV
minimum distance =  2.29973853587666 Angstroms
sigma value = 89


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

Energy: 2.0294344178240684
Energy: 0.9074163930959767
Energy: 0.9088727908365171
Energy: 0.9115647089112211
Energy: 0.9122567709903455
Energy: 0.9861501781270053
Energy: 0.9121504611354311
Energy: 0.9861501781270053
Energy: 0.9073994309404512
Energy: 0.9862191999590847
Energy: 0.9146063885371142
Energy: 0.9862191999590847
Energy: 0.9043563439137473
Energy: 0.986733377998016
Energy: 0.9102298842193597
Energy: 0.986733377998016
Energy: 0.9076983611140701
Energy: 0.9056610230968958
Energy: 1.261358065016091
Energy: 0.9056610230968958
Energy: 0.9049089948540178
Energy: 0.9057002845017056
Energy: 1.2605781804647322
Energy: 0.9057002845017056
Energy: 0.9043179259208419
Energy: 0.9056681739716029
Energy: 0.9107988432382109
Energy: 0.9056681739716029
Energy: 0.9070708768487283
Energy: 0.9059526426121942
Energy: 1.591369968342747
Energy: 0.9059526426138989
Energy: 0.9120126834436951
Energy: 0.9056221590363431
Energy: 1.5958192534105047
Energy: 0.9056221590363431
Energy: 1.2562861722779926
Energy: 0.9872230554886544
Energy: 0.9090081903221358
Energy: 0.9872230554886544
Energy: 0.9121472034283206
Energy: 0.9881444624940887
Energy: 0.9046071491043745
Energy: 0.9881444624957934
Energy: 1.2590920849184624
Energy: 0.9055760811098371
Energy: 0.9080091206012605
Energy: 0.9055760811081326
Energy: 1.2624915393539862
Energy: 0.9054247818268362
Energy: 0.9063356811171592
Energy: 0.9054247818285408
Energy: 0.909780741761959
Energy: 0.9052151191902129
Energy: 0.9048013759544798
Energy: 0.9052151191902129
Energy: 1.59173094982938
Energy: 0.9062769770705179
Energy: 0.9058945314860658
Energy: 0.9062769770705179

minimum gb energy = 0.9043179259208419 eV
minimum distance =  2.29082674535139 Angstroms
sigma value = 13


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

Energy: 1.4809134690758836
Energy: 0.8407238223663815
Energy: 1.1069426831780464
Energy: 0.831263960715909
Energy: 1.3174169919917114
Energy: 0.8386201906497198
Energy: 1.012076226196861
Energy: 0.8386201906475765
Energy: 1.4664234229221058
Energy: 0.8369390069757079
Energy: 1.0072901080631314
Energy: 0.8369390069757079
Energy: 1.1900560745215725
Energy: 0.8391647359592767
Energy: 1.1645771439448058
Energy: 0.8391647359585621
Energy: 1.166214017036207
Energy: 0.8373863482164887
Energy: 1.3205399247756913
Energy: 0.8373863482179178
Energy: 1.0081410966531377
Energy: 0.8381643887244487
Energy: 1.318506041967243
Energy: 0.8381643887237341
Energy: 1.00872110150158
Energy: 0.8369834963404299
Energy: 1.1625849495362846
Energy: 0.8369834963404299
Energy: 1.0101572109529298
Energy: 0.8373049281220788
Energy: 1.6209123969873125
Energy: 0.8373049281213644
Energy: 0.8363521261960796
Energy: 0.841882674471112
Energy: 1.4501015904090273
Energy: 0.8418826744703974
Energy: 0.8354337561735076
Energy: 0.836439202147409
Energy: 1.3225537618637049
Energy: 0.8364392021459801
Energy: 0.8379746498202131
Energy: 0.8411389158259438
Energy: 1.4801290671729892
Energy: 0.8411389158295162
Energy: 1.3182705176069283
Energy: 0.8836848384633613
Energy: 1.322672893530914
Energy: 0.8836848384640759
Energy: 1.3218101943317566
Energy: 0.88106162475376
Energy: 1.31652311513934
Energy: 0.8810616247544746
Energy: 1.3227581798718577
Energy: 0.8849960642678582
Energy: 1.187846754612068
Energy: 0.8849960642678582
Energy: 1.616594964713735
Energy: 0.8397658343348461
Energy: 1.1638219207694103
Energy: 0.8397658343391329
Energy: 1.614299596594749
Energy: 0.8377668670649099
Energy: 0.8422662285548698
Energy: 0.8377668670649099
Energy: 1.4413669196426515
Energy: 0.8365576719144986
Energy: 0.8410054341137265
Energy: 0.8365576719152131
Energy: 1.4768698842583114
Energy: 0.8396884389702177
Energy: 0.8376983070557024
Energy: 0.8396884389716468
Energy: 1.7549988342724108
Energy: 0.8414252845030195
Energy: 1.0050161400396715
Energy: 0.841425284503734
Energy: 1.3233800586117286
Energy: 0.8363690871639026
Energy: 1.015796050226088
Energy: 0.8363690871617592
Energy: 1.192984154580258
Energy: 0.8381182436002488
Energy: 1.007572099166789
Energy: 0.8381182435959621
Energy: 1.3251891658897503
Energy: 0.8359109496067215
Energy: 1.3186019489911784
Energy: 0.8359109496117229
Energy: 1.0113238678894392
Energy: 0.8399177895724367
Energy: 1.320656885883015
Energy: 0.8399177895724367
Energy: 0.8424488231962718
Energy: 0.8362325811334704
Energy: 1.1645839930512254
Energy: 0.8362325811356137
Energy: 1.0082258892223932
Energy: 0.8372703828595116
Energy: 1.6179193496860165
Energy: 0.8372703828580826
Energy: 0.8364016057304939
Energy: 0.836063897887364
Energy: 1.6160359400665998
Energy: 0.8360638978887931
Energy: 0.8358689625111265
Energy: 0.8355729168002434
Energy: 1.322455470396799
Energy: 0.8355729167973854
Energy: 0.8435491708527482
Energy: 0.8396947972508089
Energy: 1.4770198171955613
Energy: 0.8396947972479512
Energy: 1.3164153892353232
Energy: 0.8362418445755954
Energy: 1.1815108747812737
Energy: 0.8362418445777388
Energy: 1.018515673150998
Energy: 0.8840398116788
Energy: 1.3171774007798744
Energy: 0.8840398116788
Energy: 1.318617841958537
Energy: 0.8874579952924615
Energy: 1.1919657772360805
Energy: 0.8874579952910328
Energy: 1.613904665523504
Energy: 0.8372003725018763
Energy: 1.1637650270044597
Energy: 0.8372003725011619
Energy: 1.6177594060206149
Energy: 0.8397972239400819
Energy: 0.838458714979025
Energy: 0.8397972239393674
Energy: 1.442820039289222
Energy: 0.8355908317194797
Energy: 0.8353585503379478
Energy: 0.8355908317194797
Energy: 1.7602073633481643
Energy: 0.8374038924955342
Energy: 0.8387794127246854
Energy: 0.8374038924933908

minimum gb energy = 0.831263960715909 eV
minimum distance =  2.29174481183145 Angstroms
sigma value = 37


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

Energy: 1.3216791339772191
Energy: 0.7287043013530516
Energy: 0.7303055023951678
Energy: 0.742435732893661
Energy: 1.3147406210504717
Energy: 0.7270538279101717
Energy: 1.0194249063854794
Energy: 0.7270538279089426
Energy: 1.3078391775407674
Energy: 0.726590598531557
Energy: 1.0210125505071692
Energy: 0.726590598531557
Energy: 1.3073145931303762
Energy: 0.816053895148848
Energy: 1.0204827601993685
Energy: 0.816053895148848
Energy: 1.3137867257564586
Energy: 0.8156553916832627
Energy: 1.0262011602785543
Energy: 0.8156553916832627
Energy: 0.7328774670263589
Energy: 0.7291808427808882
Energy: 1.3138302937385375
Energy: 0.7291808427833186
Energy: 0.7306911134157323
Energy: 0.7262177511097543
Energy: 1.3132571274886002
Energy: 0.726217751108525
Energy: 0.731697370207907
Energy: 0.7310350224635214
Energy: 1.5605420537774164
Energy: 0.7310350224635214
Energy: 0.7263564559998356
Energy: 0.7289113552769412
Energy: 1.5618056250473005
Energy: 0.7289113552769412
Energy: 0.725990003169645
Energy: 0.7279584121521947
Energy: 1.3099083313913729
Energy: 0.7279584121521947
Energy: 0.7303055027355186
Energy: 0.742435732893661
Energy: 1.321679133989511
Energy: 0.7287043106257802
Energy: 1.0194249063854794
Energy: 0.7270538279089426
Energy: 1.3147406210504717
Energy: 0.7270538279089426
Energy: 1.0210125505071692
Energy: 0.726590598531557
Energy: 1.3078391775407674
Energy: 0.726590598531557
Energy: 1.0204827602005977
Energy: 0.816053895148848
Energy: 1.307314593129147
Energy: 0.816053895148848
Energy: 1.0262011602785543
Energy: 0.8156553916820334
Energy: 1.3137867257564586
Energy: 0.8156553916832627
Energy: 1.3138302937385375
Energy: 0.7291808427820894
Energy: 0.7328774670263589
Energy: 0.7291808427820894
Energy: 1.3132571274886002
Energy: 0.7262177511097543
Energy: 0.7306911134169614
Energy: 0.726217751108525
Energy: 1.5605420537774164
Energy: 0.7310350224635214
Energy: 0.7316973702091363
Energy: 0.7310350224647506
Energy: 1.5618056250473005
Energy: 0.7289113552769412
Energy: 0.7263564560010647
Energy: 0.7289113552769412
Energy: 1.3099083313975188
Energy: 0.7279584121521947
Energy: 0.725990003169645
Energy: 0.7279584121521947

minimum gb energy = 0.725990003169645 eV
minimum distance =  2.29523060554481 Angstroms
sigma value = 25


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

Energy: 1.6437135628883008
Energy: 0.6442191124597518
Energy: 0.64615399048621
Energy: 0.6482701550344738
Energy: 1.5408837321799227
Energy: 0.642555839397247
Energy: 0.8844776803805274
Energy: 0.6425558394001267
Energy: 1.630750968489811
Energy: 0.6418679567264742
Energy: 0.8834224858017165
Energy: 0.6418679567255144
Energy: 1.223598834156491
Energy: 0.643887011947016
Energy: 1.0177681252867998
Energy: 0.6438870119546949
Energy: 1.5392521967290347
Energy: 0.6425027503660988
Energy: 1.3259427001656676
Energy: 0.6425027503670588
Energy: 1.2179784602023187
Energy: 0.7085594151462257
Energy: 1.3246079948650664
Energy: 0.7085594151452658
Energy: 1.219973480921442
Energy: 0.6387649824326286
Energy: 1.4289883692495142
Energy: 0.6387649824412673
Energy: 1.2241933615167546
Energy: 0.6410591859389636
Energy: 1.4307803220207604
Energy: 0.6410591859370439
Energy: 0.8786774281482925
Energy: 0.638769505708495
Energy: 1.732691014836784
Energy: 0.6387695057075351
Energy: 0.8790855856083543
Energy: 0.6391126346700993
Energy: 1.5250806426618422
Energy: 0.6391126346691394
Energy: 0.7629943937932534
Energy: 0.640672213262769
Energy: 1.4354540444921167
Energy: 0.6406722132656486
Energy: 0.7749883110704213
Energy: 0.6394280391681235
Energy: 1.5250608632743214
Energy: 0.6394280391671637
Energy: 0.7589179121170059
Energy: 0.6368922592658149
Energy: 1.5286032233476528
Energy: 0.6368922592658149
Energy: 1.0006052367709113
Energy: 0.6403158048107845
Energy: 1.5337935730923173
Energy: 0.6403158048117444
Energy: 0.9967266532364182
Energy: 0.6352105333071942
Energy: 1.5312763937004767
Energy: 0.6352105333052744
Energy: 0.9939091434217433
Energy: 0.6362741469790119
Energy: 1.63259253961525
Energy: 0.6362741469790119
Energy: 1.3144139967028285
Energy: 0.636766496951323
Energy: 1.6362255116176099
Energy: 0.6367664969494033
Energy: 1.0065769859460574
Energy: 0.707379393642708
Energy: 1.2222899608081876
Energy: 0.707379393642708
Energy: 1.312199193339373
Energy: 0.7059755297647562
Energy: 1.2192264653424807
Energy: 0.7059755297637964
Energy: 1.5407904447207181
Energy: 0.7056795403243888
Energy: 1.2187291142405718
Energy: 0.7056795402908377
Energy: 1.4244727868865952
Energy: 0.706125832036119
Energy: 0.8824442027745534
Energy: 0.7061258320380388
Energy: 1.5409599713555093
Energy: 0.6414877762159018
Energy: 0.7645364344140537
Energy: 0.6414877762149421
Energy: 1.8364254657253685
Energy: 0.6440621026852841
Energy: 0.8788316958142598
Energy: 0.6440621026852841
Energy: 1.4334451142325093
Energy: 0.6478177327464713
Energy: 0.6489169599907942
Energy: 0.6478177327426318
Energy: 1.5399304787172543
Energy: 0.640571044202109
Energy: 0.6422256163377906
Energy: 0.6405710442001894
Energy: 1.6344012073641876
Energy: 0.6430617183899447
Energy: 0.6476349611116057
Energy: 0.6430617183899447

minimum gb energy = 0.6352105333052744 eV
minimum distance =  2.29459293618031 Angstroms
sigma value = 41


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

Energy: 1.677964368395229
Energy: 0.5789560793900949
Energy: 0.8841947416227425
Energy: 0.5799668876835532
Energy: 1.672152642849803
Energy: 0.5716587877286761
Energy: 0.7701307624752762
Energy: 0.5716587877278891
Energy: 1.6668755806549063
Energy: 0.570088357757587
Energy: 0.7726687552241018
Energy: 0.570088357758374
Energy: 1.3236168320157362
Energy: 0.5739583010076907
Energy: 1.1487911402099293
Energy: 0.5739583010076907
Energy: 1.669731284404884
Energy: 0.5685185464871754
Energy: 1.1461255273378315
Energy: 0.5685185464863883
Energy: 1.3155667819347694
Energy: 0.6246022432239059
Energy: 1.1431270512527505
Energy: 0.6246022436770288
Energy: 1.3200411771018852
Energy: 0.6245477679479845
Energy: 1.4920752894567846
Energy: 0.6245477679487714
Energy: 1.3206863334819736
Energy: 0.6273277494270244
Energy: 1.1483268553755088
Energy: 0.6273277494278114
Energy: 0.9709726959975548
Energy: 0.5690543797349876
Energy: 1.4906048316981437
Energy: 0.5690543797342007
Energy: 0.9705545169808648
Energy: 0.5689383754277092
Energy: 1.6717167476639712
Energy: 0.5689383754284961
Energy: 0.7757178883179597
Energy: 0.576234849009322
Energy: 1.5018298164199906
Energy: 0.576234849010109
Energy: 0.7727025291474604
Energy: 0.5690377168915917
Energy: 1.6718574446685723
Energy: 0.5690377168923786
Energy: 0.7713901089295233
Energy: 0.5728147647106057
Energy: 1.8408107811248065
Energy: 0.5728147647106057
Energy: 0.5751646832117571
Energy: 0.5758939138128627
Energy: 1.4991314387708745
Energy: 0.5758939138128627
Energy: 0.5699399229722122
Energy: 0.5693028943954123
Energy: 1.6701919139653956
Energy: 0.5693028943961992
Energy: 0.5745236881245342
Energy: 0.5715913171781768
Energy: 1.6709623410656103
Energy: 0.5715913171789637
Energy: 0.7748704263851505
Energy: 0.5742114126275738
Energy: 1.6734452409310834
Energy: 0.5742114126291475
Energy: 0.7740079155472954
Energy: 0.5700901755285319
Energy: 1.6692731036227795
Energy: 0.5700901755277449
Energy: 0.7723659843019686
Energy: 0.5717243551102422
Energy: 1.319778824185566
Energy: 0.5717243551118162
Energy: 1.1444848124806635
Energy: 0.5702711781909521
Energy: 1.3180954319061713
Energy: 0.5702711781901652
Energy: 1.1490669517017602
Energy: 0.5692075310266314
Energy: 1.49209100814871
Energy: 0.5692075310234835
Energy: 1.1447913868633974
Energy: 0.6274917624667914
Energy: 1.3206194933088282
Energy: 0.6274917624715128
Energy: 1.4907027689359937
Energy: 0.6230810014056081
Energy: 1.3147607652999174
Energy: 0.6230810014063951
Energy: 1.1489624583402946
Energy: 0.6286823720792052
Energy: 1.1445601722794412
Energy: 0.6286823720784183
Energy: 1.4929880219091702
Energy: 0.5693806707955821
Energy: 0.9762205150181049
Energy: 0.5693806707940081
Energy: 1.4939559429185691
Energy: 0.570041818161085
Energy: 1.143491360913257
Energy: 0.5700418181602981
Energy: 1.496820267693327
Energy: 0.5721142379748834
Energy: 0.7763558655194411
Energy: 0.5721142379748834
Energy: 1.6694570022927009
Energy: 0.5697316431946664
Energy: 0.7735901441622431
Energy: 0.5697316431930926
Energy: 1.4967162354706969
Energy: 0.5737913043623488
Energy: 0.7759314335762613
Energy: 0.573791304361562
Energy: 1.495483788683899
Energy: 0.5716160000221879
Energy: 0.5747517605759515
Energy: 0.5716160000229747
Energy: 1.670454458012634
Energy: 0.5692774665856196
Energy: 0.5701492721452683
Energy: 0.5692774665864065
Energy: 1.6754478444496275
Energy: 0.5753766285436772
Energy: 0.5766569073529255
Energy: 0.5753766285436772

minimum gb energy = 0.5685185464863883 eV
minimum distance =  2.30643202110731 Angstroms
sigma value = 15


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

Energy: 1.4730681593023072
Energy: 0.5319733416007952
Energy: 0.8490607783591351
Energy: 0.5303654888830411
Energy: 1.772188151417264
Energy: 0.5230704294998054
Energy: 0.6932321648426214
Energy: 0.5230704294991386
Energy: 1.7655953999070624
Energy: 0.5227569327614415
Energy: 0.6965501315132128
Energy: 0.5227569327614415
Energy: 1.471670512112537
Energy: 0.526047011976378
Energy: 1.0217975306182645
Energy: 0.5260470119770447
Energy: 1.7690667908937936
Energy: 0.5198442160793085
Energy: 1.0157673871309167
Energy: 0.5198442160786418
Energy: 1.4631158655352134
Energy: 0.5209888835997661
Energy: 1.0131315980436786
Energy: 0.5209888835184976
Energy: 1.1650316187034329
Energy: 0.7845614160066832
Energy: 1.313065021308713
Energy: 0.78456141600535
Energy: 1.467392612671334
Energy: 0.5724351852398382
Energy: 1.018899268353014
Energy: 0.5724351852478378
Energy: 1.1620292894931512
Energy: 0.5698420935794551
Energy: 1.3106257882088548
Energy: 0.5698420935794551
Energy: 1.1607086569995713
Energy: 0.7829350503822549
Energy: 1.6134739850062323
Energy: 0.7829350503795882
Energy: 1.0196258982586148
Energy: 0.5267062477093017
Energy: 1.3205027436268943
Energy: 0.526706247736573
Energy: 0.8687248136656657
Energy: 0.5199372234600704
Energy: 1.61343049870711
Energy: 0.5199372234594037
Energy: 1.0159601850614628
Energy: 0.5209246351453346
Energy: 1.6137756453290675
Energy: 0.5209246351799995
Energy: 0.698409214302307
Energy: 0.5262946116607539
Energy: 1.3188807536473113
Energy: 0.5262946116600873
Energy: 0.6961288704499929
Energy: 0.5214329984498385
Energy: 1.7688220929613896
Energy: 0.5214329984505051
Energy: 0.6965816601998103
Energy: 0.5234486119387687
Energy: 1.6179702385057775
Energy: 0.5234486119401018
Energy: 0.52659757119196
Energy: 0.5242461957815825
Energy: 1.6205709479068182
Energy: 0.5242461957815825
Energy: 0.5209147522933563
Energy: 0.5211982203757203
Energy: 1.7684245817295035
Energy: 0.5211982203750537
Energy: 0.5277041614198057
Energy: 0.5241154566532926
Energy: 1.4679497542487412
Energy: 0.5241154566539592
Energy: 0.6969989121787761
Energy: 0.5244915771866737
Energy: 1.7708556336437409
Energy: 0.5244915771833405
Energy: 0.6968480510286758
Energy: 0.5216639675069992
Energy: 1.768626054543735
Energy: 0.5216639675049993
Energy: 0.6987879254088397
Energy: 0.5257285928732103
Energy: 1.4696266252281924
Energy: 0.5257285928738769
Energy: 1.0134619983130488
Energy: 0.5210371519747248
Energy: 1.4624578757302948
Energy: 0.5210371519753914
Energy: 1.017925917029721
Energy: 0.5199925332137624
Energy: 1.6161452012438027
Energy: 0.5199925331924301
Energy: 1.0190680394904652
Energy: 0.5237649811356663
Energy: 1.1679900479074965
Energy: 0.5237649811376662
Energy: 1.312341214958021
Energy: 0.7833015125441625
Energy: 1.6158443091248607
Energy: 0.783301512546829
Energy: 1.0154489625984569
Energy: 0.569053311982455
Energy: 1.3131937772316693
Energy: 0.5690533119811216
Energy: 1.317883123577431
Energy: 0.5722074275469453
Energy: 1.1679712165710479
Energy: 0.5722074275136136
Energy: 1.315950143261158
Energy: 0.7843791708182402
Energy: 1.3137274466480722
Energy: 0.7843791708182402
Energy: 1.3129594591618015
Energy: 0.5210230109075187
Energy: 1.0152543731654629
Energy: 0.521023010908852
Energy: 1.621125831443565
Energy: 0.5201041323573783
Energy: 0.8692908580118124
Energy: 0.5201041323027145
Energy: 1.3181267018815894
Energy: 0.5251057130702375
Energy: 1.0193810207660239
Energy: 0.5251057130642378
Energy: 1.6143336218414244
Energy: 0.5215153444098161
Energy: 0.6973984766826353
Energy: 0.5215153444098161
Energy: 1.7709234845556878
Energy: 0.5222577367356043
Energy: 0.6976397330823215
Energy: 0.5222577367356043
Energy: 1.625881865392646
Energy: 0.5296782185927604
Energy: 0.7032102994989858
Energy: 0.5296782185914272
Energy: 1.7698418482605802
Energy: 0.5233581290086158
Energy: 0.5236858627178985
Energy: 0.5233581290086158
Energy: 1.7654042264672125
Energy: 0.5229544456657566
Energy: 0.5224527504160519
Energy: 0.5229544456657566

minimum gb energy = 0.5198442160786418 eV
minimum distance =  2.30317112576224 Angstroms
sigma value = 85


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

Energy: 1.5677121558676053
Energy: 0.45122887395220357
Energy: 0.45264143256882344
Energy: 0.44767331005199257
Energy: 1.8118808398242148
Energy: 0.45222058663276193
Energy: 0.6088233677835276
Energy: 0.45222058663276193
Energy: 1.556035698653859
Energy: 0.4512132039681092
Energy: 0.6092379632808774
Energy: 0.45121320396695286
Energy: 1.2873092400813038
Energy: 0.4555560222374462
Energy: 0.9002227518569572
Energy: 0.4555560222380243
Energy: 1.684484877928101
Energy: 0.45284376829532164
Energy: 0.8972046788399147
Energy: 0.4528437682958998
Energy: 1.288344601943985
Energy: 0.45204586527676077
Energy: 0.8950149630156277
Energy: 0.452045865277339
Energy: 1.2918550088965164
Energy: 0.45282214713503965
Energy: 1.1609352026154616
Energy: 0.4528221471344615
Energy: 1.4248636862478081
Energy: 0.4514437837038709
Energy: 0.8930936613738153
Energy: 0.4514437837102308
Energy: 1.292963913144458
Energy: 0.9138437691258907
Energy: 1.1576926550183335
Energy: 0.9138437691258907
Energy: 1.291862162641863
Energy: 0.9139022479480805
Energy: 1.42047192383495
Energy: 0.9139022479480805
Energy: 1.162676297795529
Energy: 0.7092629515033797
Energy: 1.162980948171699
Energy: 0.709262951505114
Energy: 1.02747085453929
Energy: 0.4517858052459852
Energy: 1.4207485483553257
Energy: 0.45178580524540707
Energy: 1.1582827945482792
Energy: 0.451801980699931
Energy: 1.423022961641085
Energy: 0.45180198070050914
Energy: 0.8985772074556385
Energy: 0.4536420269328851
Energy: 1.1536589583738095
Energy: 0.4536420269317287
Energy: 0.762001486770704
Energy: 0.4512428511913287
Energy: 1.680463877856759
Energy: 0.4512428511913287
Energy: 0.8963126280242675
Energy: 0.4528856436914869
Energy: 1.4231157734586388
Energy: 0.4528856436903306
Energy: 0.6127317135554737
Energy: 0.4539066078291744
Energy: 1.4263616840082332
Energy: 0.4539066078280181
Energy: 0.6096669548590078
Energy: 0.4510223945601875
Energy: 1.8089685040530328
Energy: 0.45102239455903115
Energy: 0.6116189685471997
Energy: 0.4564505803566637
Energy: 1.6935283509019685
Energy: 0.4564505803566637
Energy: 0.4554484675714335
Energy: 0.45500970668723506
Energy: 1.6928698580685808
Energy: 0.4550097066866569
Energy: 0.4511977578656867
Energy: 0.4504781695356727
Energy: 1.8091296203628917
Energy: 0.4504781695356727
Energy: 0.45023581128647316
Energy: 0.45179716577890067
Energy: 1.5539941158208892
Energy: 0.45179716577774437
Energy: 0.6089162716490256
Energy: 0.4527840696602606
Energy: 1.8200097517715847
Energy: 0.4527840696608388
Energy: 0.6089270464184138
Energy: 0.4507965841919443
Energy: 1.8105085993028018
Energy: 0.4507965841919443
Energy: 0.6134948126726677
Energy: 0.4511760132831185
Energy: 1.2824817709137908
Energy: 0.45117601328427487
Energy: 0.8955082093465463
Energy: 0.4514433301844936
Energy: 1.812097454231646
Energy: 0.45144333018391547
Energy: 0.8961537930876111
Energy: 0.4515411326096535
Energy: 1.5531408187398394
Energy: 0.4515411325998509
Energy: 1.1625714742829854
Energy: 0.454266125912397
Energy: 1.2876145756582336
Energy: 0.4542661259118188
Energy: 1.160994580973928
Energy: 0.45139035820333356
Energy: 1.5506241958403357
Energy: 0.4513903582027554
Energy: 1.1589600236633073
Energy: 0.9136120369990348
Energy: 1.2898294373645338
Energy: 0.9136120369996131
Energy: 1.4222768825880303
Energy: 0.5329261180628324
Energy: 1.0209866202014113
Energy: 0.5329261180489564
Energy: 1.1609964355342581
Energy: 0.5328923433597283
Energy: 1.4236508065147435
Energy: 0.5328923417583262
Energy: 1.4207170143778243
Energy: 0.4514882198768517
Energy: 1.0235103036119368
Energy: 0.45148821984796944
Energy: 1.679780131963179
Energy: 0.45205973554106554
Energy: 1.0248713201829953
Energy: 0.4520597355583843
Energy: 1.1557561407877832
Energy: 0.4541986272123863
Energy: 1.027094272512721
Energy: 0.4541986272129645
Energy: 1.6801605323340514
Energy: 0.45162580923565737
Energy: 0.8962352874177082
Energy: 0.4516258092350792
Energy: 1.6858089317850862
Energy: 0.45163989234808216
Energy: 0.8949751624530469
Energy: 0.45163989234981666
Energy: 1.421011070498936
Energy: 0.4505901045727859
Energy: 0.6135710059032666
Energy: 0.45059010457452037
Energy: 1.8098094432149217
Energy: 0.4504322374795734
Energy: 0.6091035768275659
Energy: 0.4504322374795734
Energy: 1.6910226830828499
Energy: 0.45283279340577415
Energy: 0.6094789632836041
Energy: 0.45283279340577415
Energy: 1.4207348266864506
Energy: 0.4528342755715239
Energy: 0.4562500426566765
Energy: 0.45283427557268024
Energy: 1.8089247489814742
Energy: 0.4503227383851747
Energy: 0.4515529635630398
Energy: 0.4503227383845966
Energy: 1.5588852611426727
Energy: 0.4558222555270234
Energy: 0.45566419376393763
Energy: 0.4558222555276016

minimum gb energy = 0.44767331005199257 eV
minimum distance =  2.29941563575989 Angstroms
sigma value = 113


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

Energy: 0.01855258585509094
Energy: 0.4579891106755162
Energy: 1.43951259137512
Energy: 0.01911465315704145
Energy: 1.0881198884823418
Energy: 0.10844569002611873
Energy: 1.0849231562928634
Energy: 0.1084456900265138
Energy: 0.0194306193702693
Energy: 0.1105971885322709
Energy: 1.0847157772118736
Energy: 0.1105971885322709
Energy: 0.02031102151912572
Energy: 0.11219617820182354
Energy: 1.1055660737800077
Energy: 0.11219617820182354
Energy: 1.0848218908138523
Energy: 0.11050264580178606
Energy: 1.087371309084268
Energy: 0.11050264580223054
Energy: 0.026241067047159776
Energy: 0.10800941650574697
Energy: 1.083523345887629
Energy: 0.1080094165065865

minimum gb energy = 0.01855258585509094 eV
minimum distance =  2.51702492513859 Angstroms
sigma value = 1