Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315671682358
cohesive_energy=3.5402784386807093
mass=195.084
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=[1.313733570227712e-19, 1.89196232179158e-19, 2.35777915636074e-19, 2.75624048523654e-19, 3.10668458039136e-19, 3.4196217205442396e-19, 3.70144459046484e-19, 3.95647906706496e-19, 4.1877853077155396e-19, 4.397606359704179e-19, 4.58772063909462e-19, 4.759506017792099e-19, 4.91410004120676e-19, 5.052415950019979e-19, 5.1752708543151e-19, 5.28330562474572e-19, 5.37711306666642e-19, 5.45718985483374e-19, 5.52400062047154e-19, 5.57794590773832e-19, 5.61937819549356e-19, 5.648617919064059e-19, 5.66596949201028e-19, 5.67170528436e-19, 5.665424751954719e-19, 5.644836782207819e-19, 5.606913261281039e-19, 5.547953161149839e-19, 5.46342232194e-19, 5.347777212497879e-19, 5.1941444950636195e-19, 4.99396854641166e-19, 4.73657887015956e-19, 4.40853320434806e-19, 3.9927363242923796e-19, 3.4674146495364597e-19, 2.80435384955556e-19, 1.96689612296376e-19, 9.0666374629743e-20, -4.4075078113022995e-20, -2.1623776940780999e-19, -4.3775471082465e-19, -7.25246081676342e-19, -1.1023359764312159e-18, -1.60325009234478e-18, -2.2788559353698996e-18, -3.20694879414708e-18, -4.51025539884072e-18, -6.390345591774359e-18, -9.19388233124658e-18, -1.3552283428716778e-17, -2.0701243634923797e-17, -3.3295793937134397e-17, -5.780813513135399e-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: 0.013667490154697027
Energy: 0.014492206351698856
Energy: 0.9229303638653411
Energy: 0.08178515436265227
Energy: 0.014492206351698856
Energy: 0.8755932314138639
Energy: 0.08178515436143155
Energy: 0.8755932314157124
Energy: 0.9229303638671897
Energy: 0.08178515436202446
Energy: 0.013667490154697027
Energy: 0.014492206351698856
Energy: 0.0817851543632452
Energy: 0.8755932314144917
Energy: 0.014492206351698856
Energy: 0.8755932314138639

minimum gb energy = 0.013667490154697027 eV
minimum distance =  2.44308822015472 Angstroms
sigma value = 1


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

Energy: 1.5505045455523414
Energy: 0.8969105197008308
Energy: 0.9913797902184709
Energy: 0.9907292605222527
Energy: 1.0303759632624505
Energy: 0.9352499276025136
Energy: 0.9666715262807465
Energy: 0.9352499276025136
Energy: 0.9905107690323149
Energy: 0.9904178572532311
Energy: 1.693434107523644
Energy: 0.9904178572539925
Energy: 0.9851495727880636
Energy: 0.9353050957057991
Energy: 0.9663820654999571
Energy: 0.9353050957057991
Energy: 1.4296394906058425
Energy: 0.9360443178245358
Energy: 0.9165782102018266
Energy: 0.9360443178252971
Energy: 1.0054266954508269
Energy: 0.9523499942839698
Energy: 0.9491387908933011
Energy: 0.9523499942839698
Energy: 1.0188501416860498
Energy: 0.9577410810841419
Energy: 1.4296467924834626
Energy: 0.9577410810841419
Energy: 0.9466329159397184
Energy: 1.179690356005379
Energy: 0.9728448664294944
Energy: 1.179690356005379
Energy: 1.2026951644266195
Energy: 0.9343662930891282
Energy: 1.2041735889714305
Energy: 0.9343662930898897
Energy: 0.9645347595243179
Energy: 0.952111762742282
Energy: 0.9502107265435868
Energy: 0.9521117627415207
Energy: 1.3079560118702893
Energy: 0.9342234590354902
Energy: 1.2029748408100671
Energy: 0.9342234590354902
Energy: 0.9456929651042764
Energy: 0.9324943458277357
Energy: 0.9733609082454201
Energy: 0.9324943458269744
Energy: 1.0181518556770117
Energy: 0.9580814905553089
Energy: 1.5545371991200412
Energy: 0.9580814905553089
Energy: 1.0052460035160156
Energy: 0.9526046321874918
Energy: 0.9567665336960153
Energy: 0.9526046321882533
Energy: 1.5521182105714713
Energy: 0.9345342105190072
Energy: 0.916545122655621
Energy: 0.9345342105190072
Energy: 0.9572118946085734
Energy: 0.9346658652895818
Energy: 0.9665934404866404
Energy: 0.9346658652895818
Energy: 0.9922410328805025
Energy: 0.9906088662600332
Energy: 1.835741012119512
Energy: 0.9906088662600332
Energy: 0.9660071072168949
Energy: 0.9343260812343399
Energy: 1.0309968186533796
Energy: 0.9343260812343399
Energy: 1.695492734123426
Energy: 0.9898086599610972
Energy: 0.9930140510534448
Energy: 0.9898086599610972
Energy: 1.0318853713949
Energy: 1.0504646933582504
Energy: 0.9877312356857323
Energy: 1.050464693357489
Energy: 0.9193662949775374
Energy: 0.935583066146631
Energy: 1.4305757800640437
Energy: 0.9355830661473924
Energy: 0.9417659841175576
Energy: 1.0088250162071941
Energy: 1.0057263591469265
Energy: 1.0088250162064327
Energy: 1.4294855673311981
Energy: 0.9552529330028532
Energy: 0.9625107431318382
Energy: 0.9552529330020917
Energy: 0.9712954637712551
Energy: 0.9574618546660733
Energy: 0.9451641841250829
Energy: 0.9574618546668346
Energy: 1.0409608385708962
Energy: 0.9331099099339641
Energy: 1.20336718023647
Energy: 0.9331099099339641
Energy: 0.9515121242962346
Energy: 0.9325765347090843
Energy: 0.966602744623241
Energy: 0.9325765347090843
Energy: 1.2031010985679227
Energy: 0.9359742823580169
Energy: 1.1466204270403273
Energy: 0.9359742823572557
Energy: 0.9714007474753905
Energy: 0.93331441407419
Energy: 0.9583911969247818
Energy: 0.93331441407419
Energy: 0.9617446487658337
Energy: 0.9574045646955234
Energy: 1.018175126567034
Energy: 0.9574045646947621
Energy: 0.9504142688086185
Energy: 0.9528189434243364
Energy: 1.007302245919394
Energy: 0.9528189434243364
Energy: 0.9159426453684081
Energy: 0.9342982318081988
Energy: 1.5561663040767637
Energy: 0.9342982318089602
Energy: 0.9668529010541432
Energy: 0.9342905324408496
Energy: 0.9750474670678003
Energy: 0.9342905324400882
Energy: 1.4317496611196638
Energy: 0.9639217610136203
Energy: 0.9891743419540773
Energy: 0.9639217610197113

minimum gb energy = 0.8969105197008308 eV
minimum distance =  2.24491886291225 Angstroms
sigma value = 1


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

Energy: 1.753161559747635
Energy: 0.9334074382590359
Energy: 1.0389928603519987
Energy: 1.0387021702793304
Energy: 1.0849888234975145
Energy: 0.9993261375712092
Energy: 1.0122998941430386
Energy: 0.9993261375720774
Energy: 1.0401836903758792
Energy: 1.0388130206674877
Energy: 1.5997310160263627
Energy: 1.0388130206648833
Energy: 1.0347772466304401
Energy: 0.9783249740126189
Energy: 1.0118365723523544
Energy: 0.978324974013487
Energy: 1.5989865942172763
Energy: 0.9793244769148095
Energy: 0.9601311590907908
Energy: 0.9793244769139414
Energy: 1.0560776367737326
Energy: 1.0017334034490095
Energy: 0.9871415832454363
Energy: 1.0017334034490095
Energy: 1.0879105838000371
Energy: 1.0058042436306247
Energy: 1.3146192511653478
Energy: 1.0058042436280206
Energy: 0.9914126065831604
Energy: 1.0138045500802984
Energy: 1.018157635410556
Energy: 1.0138045500820347
Energy: 1.3158821854986256
Energy: 0.9845694177510413
Energy: 1.18803923609141
Energy: 0.9845694177493053
Energy: 1.0195359890578901
Energy: 0.986876381223251
Energy: 0.9922048181862877
Energy: 0.9868763812241192
Energy: 1.445454229906255
Energy: 1.0058059315611358
Energy: 1.087920022817017
Energy: 1.0058059315628722
Energy: 1.002428715438356
Energy: 1.00150579073609
Energy: 1.0560096467150202
Energy: 1.00150579073609
Energy: 0.9603713270387565
Energy: 0.9774127109567414
Energy: 1.444632972595871
Energy: 0.9774127109541371
Energy: 1.0125054228815822
Energy: 0.9789006789848929
Energy: 1.003192806907125
Energy: 0.9789006789848929
Energy: 1.7550492038410896
Energy: 1.0383615526720502
Energy: 1.0379840763718267
Energy: 1.0383615526729182
Energy: 1.0848038419318258
Energy: 0.9785323589119809
Energy: 1.0122676375877142
Energy: 0.9785323589111127
Energy: 1.0407855452612218
Energy: 1.0392187273905016
Energy: 1.5984354550260815
Energy: 1.0392187273913698
Energy: 1.037194426834586
Energy: 0.9833800530711208
Energy: 1.086835720251145
Energy: 0.9833800530693846
Energy: 1.5997010881308575
Energy: 0.9781968329833289
Energy: 0.9603294875274683
Energy: 0.9781968329807247
Energy: 1.056210170469851
Energy: 1.0590971556850879
Energy: 0.9865035377105978
Energy: 1.0590971556850879
Energy: 1.0134831695882678
Energy: 1.0066005505070048
Energy: 1.3157560735805611
Energy: 1.0066005505070048
Energy: 0.9913267575558407
Energy: 1.0059766865253785
Energy: 1.0208856379361628
Energy: 1.0059766865253785
Energy: 1.3155879921101568
Energy: 0.9864818133894023
Energy: 1.113093625868158
Energy: 0.9864818133894023
Energy: 1.0163297204104873
Energy: 0.9864665160605949
Energy: 1.0113891319203407
Energy: 0.9864665160614631
Energy: 1.0093351409679538
Energy: 1.0055840579669202
Energy: 1.0874786328616661
Energy: 1.0055840579677882
Energy: 0.9976183864789808
Energy: 1.002229045415195
Energy: 1.0561374744713286
Energy: 1.0022290454143266
Energy: 0.9592124180425332
Energy: 0.9776337508509271
Energy: 1.4473805595516236
Energy: 0.9776337508509271
Energy: 1.0109877772847422
Energy: 0.9768714887821023
Energy: 1.021631161121852
Energy: 0.9768714887803661
Energy: 1.413875231111374
Energy: 1.008265429047713
Energy: 1.0390176399462592
Energy: 1.0082654290485813

minimum gb energy = 0.9334074382590359 eV
minimum distance =  2.24633133310573 Angstroms
sigma value = 25


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

Energy: 1.635308346426055
Energy: 0.9700002752537511
Energy: 1.0931146295552976
Energy: 1.0922262635606101
Energy: 1.1424605054872772
Energy: 1.0416890171779365
Energy: 1.0598625052099133
Energy: 1.0416890171759183
Energy: 1.092208530684294
Energy: 1.09244042943077
Energy: 1.466613194480597
Energy: 1.0924404294327883
Energy: 1.0906239755636196
Energy: 1.0245990785923875
Energy: 1.060322996701775
Energy: 1.0245990785923875
Energy: 1.4679675785586164
Energy: 1.026751563331948
Energy: 1.008307563473793
Energy: 1.026751563332957
Energy: 1.109031465608398
Energy: 1.0579336221596327
Energy: 1.0415166940499896
Energy: 1.0579336221596327
Energy: 1.177606370438929
Energy: 1.059419357465221
Energy: 1.1716691505148424
Energy: 1.0594193574642117
Energy: 1.039492405390554
Energy: 1.0693422937487027
Energy: 1.072808954154449
Energy: 1.0693422937487027
Energy: 1.173159310750402
Energy: 1.0612898746623494
Energy: 1.3052964093368817
Energy: 1.0612898746623494
Energy: 1.111437491307711
Energy: 1.0639369097648523
Energy: 1.0593845304130314
Energy: 1.0639369097648523
Energy: 1.64236906377993
Energy: 1.0240002020468906
Energy: 1.0053299371145918
Energy: 1.0240002020468906
Energy: 1.0535858074404545
Energy: 1.0248283691045506
Energy: 1.059977728433653
Energy: 1.0248283691035414
Energy: 1.091640256482202
Energy: 1.0919044647532816
Energy: 1.6381239826591725
Energy: 1.0919044647532816
Energy: 1.060857669443856
Energy: 1.0271910067419154
Energy: 1.1431108927782514
Energy: 1.0271910067398973
Energy: 1.4677718340600905
Energy: 1.0924782052323572
Energy: 1.0958732462415055
Energy: 1.0924782052323572
Energy: 1.1474024643897045
Energy: 1.0239145530505478
Energy: 1.0931089650535737
Energy: 1.023914553051557
Energy: 1.005520158901193
Energy: 1.024120781718754
Energy: 1.4689735075175587
Energy: 1.024120781717745
Energy: 1.0382569540066777
Energy: 1.1018360197984673
Energy: 1.1084819646172142
Energy: 1.1018360197984673
Energy: 1.17358037413939
Energy: 1.0622993480514589
Energy: 1.0722714266298456
Energy: 1.0622993480514589
Energy: 1.0753662142959872
Energy: 1.0596726611327196
Energy: 1.0420707046566065
Energy: 1.0596726611317104
Energy: 1.1999008044225963
Energy: 1.0619697783662065
Energy: 1.1751764251476733
Energy: 1.0619697783662065
Energy: 1.056545484194808
Energy: 1.0636886370168366
Energy: 1.1086773722963037
Energy: 1.0636886370168366
Energy: 1.004448469857475
Energy: 1.0239600971165088
Energy: 1.0716185705734198
Energy: 1.0239600971154998
Energy: 1.0598742874936498
Energy: 1.0238600722838844
Energy: 1.0537251343356622
Energy: 1.0238600722848936
Energy: 1.3792765186077434
Energy: 1.0544295394394454
Energy: 1.0927969476764958
Energy: 1.0544295394394454

minimum gb energy = 0.9700002752537511 eV
minimum distance =  2.25451357861145 Angstroms
sigma value = 9


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

Energy: 1.459778026908627
Energy: 1.0007839635252531
Energy: 1.1487469341903231
Energy: 1.248933865372591
Energy: 1.2012137992765188
Energy: 1.078303029477127
Energy: 1.1083385713288347
Energy: 1.078303029477127
Energy: 1.1471936803036369
Energy: 1.1480780942719722
Energy: 1.7750305926434344
Energy: 1.1480780942719722
Energy: 1.1679577637156489
Energy: 1.0726638066417529
Energy: 1.1085806158481801
Energy: 1.0726638066417529
Energy: 1.2857347458437784
Energy: 1.0765153490766104
Energy: 1.0547049247909517
Energy: 1.0765153490766104
Energy: 1.168084410061614
Energy: 1.274883082552381
Energy: 1.0908613672008396
Energy: 1.274883082552381
Energy: 1.110880598447524
Energy: 1.1347725647046856
Energy: 1.287947089721706
Energy: 1.1347725647046856
Energy: 1.1125068166933556
Energy: 1.2014632920497117
Energy: 1.1677373931352584
Energy: 1.2014632920485078
Energy: 1.0538304702609211
Energy: 1.0724124978772605
Energy: 1.465494167377536
Energy: 1.0724124978772605
Energy: 1.1081499606119587
Energy: 1.0726870555943404
Energy: 1.1118633055453953
Energy: 1.0726870555943404
Energy: 1.4628229756715112
Energy: 1.0984569668748903
Energy: 1.146815111072796
Energy: 1.0984569668760942
Energy: 1.2009403789575677
Energy: 1.0980515704479055
Energy: 1.1081108988250197
Energy: 1.0980515704479055
Energy: 1.1462967438996174
Energy: 1.146498268883577
Energy: 1.7762109157659163
Energy: 1.146498268883577
Energy: 1.09759298743189
Energy: 1.0789903832846566
Energy: 1.2168716747558765
Energy: 1.0789903832846566
Energy: 1.2860381832883792
Energy: 1.0765011060093912
Energy: 1.1094560416032253
Energy: 1.0765011060081873
Energy: 1.1674683524777518
Energy: 1.208866556056345
Energy: 1.0475757485694164
Energy: 1.208866556055141
Energy: 1.110971969588963
Energy: 1.1351246829443886
Energy: 1.286465141226814
Energy: 1.1351246829431845
Energy: 1.1487576824643817
Energy: 1.1340007762234217
Energy: 1.167471587953108
Energy: 1.1340007762246258
Energy: 1.0525184591243295
Energy: 1.0724371800918264
Energy: 1.1269511654943112
Energy: 1.0724371800918264
Energy: 1.1081667624588913
Energy: 1.0724988356559242
Energy: 1.1116349983034393
Energy: 1.0724988356571281
Energy: 1.46056547133001
Energy: 1.0982644893547493
Energy: 1.1487974919589494
Energy: 1.0982644893547493

minimum gb energy = 1.0007839635252531 eV
minimum distance =  2.25953641693068 Angstroms
sigma value = 25


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

Energy: 1.1951589194094292
Energy: 1.2559708573791197
Energy: 1.191614607689363
Energy: 1.3176329750692488
Energy: 1.2558271324429064
Energy: 1.0611529787876264
Energy: 1.1399690751770102
Energy: 1.0611529787876264
Energy: 1.189631214455717
Energy: 1.317335236381525
Energy: 1.561923613855546
Energy: 1.317335236381525
Energy: 1.1278805897669983
Energy: 1.1270361164665768
Energy: 1.1402063155479418
Energy: 1.1270361164665768
Energy: 1.0958499295986417
Energy: 1.1323849828437909
Energy: 1.1493411935163782
Energy: 1.1323849828423023
Energy: 1.2599142989090604
Energy: 1.225843319930457
Energy: 1.209423903035487
Energy: 1.225843319930457
Energy: 1.2028990074839803
Energy: 1.115424424980291
Energy: 1.0983173145471947
Energy: 1.1154244249817797
Energy: 1.2029123535220327
Energy: 1.1280760638596186
Energy: 1.140459871699141
Energy: 1.1280760638596186
Energy: 1.1893300339537096
Energy: 1.128250200268347
Energy: 1.9379980704400748
Energy: 1.128250200268347
Energy: 1.1402061072107237
Energy: 1.1286658909922738
Energy: 1.2557331246824466
Energy: 1.1286658909922738
Energy: 1.562915115396007
Energy: 1.317322295822601
Energy: 1.1922284157299161
Energy: 1.317322295822601
Energy: 1.3235898002075384
Energy: 1.0616007785980395
Energy: 1.1894844837761163
Energy: 1.0616007785980395
Energy: 1.1420142379449156
Energy: 1.2522995781348265
Energy: 1.095913885303196
Energy: 1.2522995781363153
Energy: 1.1497219914906414
Energy: 1.1149774184564216
Energy: 1.2651626291365399
Energy: 1.1149774184564216
Energy: 1.0969725768337322
Energy: 1.115446528940923
Energy: 1.2027441149728706
Energy: 1.115446528940923
Energy: 1.1410689895955497
Energy: 1.1213143434049742
Energy: 1.1972768725201681
Energy: 1.1213143434049742
Energy: 1.2561861665882463
Energy: 1.128632904259273
Energy: 1.1941075241515995
Energy: 1.128632904259273

minimum gb energy = 1.0611529787876264 eV
minimum distance =  2.26964759463612 Angstroms
sigma value = 17


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

Energy: 1.8237318834627698
Energy: 1.3242285355610752
Energy: 1.323818872292357
Energy: 1.375592931695395
Energy: 1.2014022377776015
Energy: 1.1639007673189123
Energy: 1.356338830758851
Energy: 1.1639007673189123
Energy: 1.1133641710995634
Energy: 1.3145222322283254
Energy: 1.6164810769024969
Energy: 1.3145222322291688
Energy: 1.0665033414199014
Energy: 1.2963561784864772
Energy: 1.2854743677036307
Energy: 1.2963561784856341
Energy: 1.2620509858631455
Energy: 1.230405504310971
Energy: 1.1168458057711284
Energy: 1.2304055043101276
Energy: 1.2873664733861685
Energy: 1.220805196244731
Energy: 1.1513808927063103
Energy: 1.220805196244731
Energy: 1.412662828296175
Energy: 1.066603194893527
Energy: 1.1089812810446238
Energy: 1.0666031948918406
Energy: 1.3559084577521043
Energy: 1.0656413127057585
Energy: 1.1073584645905277
Energy: 1.0656413127049151
Energy: 1.324069281839073
Energy: 1.2434414315367863
Energy: 1.618023476097911
Energy: 1.2434414315367863
Energy: 1.2447634249028137
Energy: 1.1634789125523988
Energy: 1.3539147629070565
Energy: 1.163478912553242
Energy: 1.2608157237107365
Energy: 1.301269639208224
Energy: 1.1073628153935433
Energy: 1.3012696392090672
Energy: 1.3586495663179061
Energy: 1.0948944579530733
Energy: 1.0610866773573475
Energy: 1.09489445795223
Energy: 1.2423297393808455
Energy: 1.0947910560468268
Energy: 1.0593745981089504
Energy: 1.09479105604767
Energy: 1.4135761863422363
Energy: 1.2740677246746837
Energy: 1.1078973637986618
Energy: 1.2740677246746837
Energy: 1.2839141814988155
Energy: 1.2307471868013313
Energy: 1.354895509981667
Energy: 1.2307471868013313
Energy: 1.3208663877705895
Energy: 1.2425841998322864
Energy: 1.355003773931575
Energy: 1.2425841998314433
Energy: 1.2418909060849896
Energy: 1.0669273790021516
Energy: 1.1112998061092032
Energy: 1.0669273790021516
Energy: 1.2420187231103728
Energy: 1.0664178186179674
Energy: 1.1082701050959083
Energy: 1.0664178186188105
Energy: 1.2836470345737625
Energy: 1.2221403982209984
Energy: 1.3023153867383017
Energy: 1.2221403982209984
Energy: 1.1105473543980098
Energy: 1.2311926350735034
Energy: 1.2843662283571464
Energy: 1.2311926350735034
Energy: 1.0690583705269825
Energy: 1.1631587567458475
Energy: 1.3557123329163199
Energy: 1.1631587567458475
Energy: 1.1104546005389557
Energy: 1.3145027279660393
Energy: 1.4063948854316015
Energy: 1.3145027279651962
Energy: 1.354022112433628
Energy: 1.1700517693767245
Energy: 1.2754537673167812
Energy: 1.1700517693775676
Energy: 1.6171115712254929
Energy: 1.3756906526666959
Energy: 1.3201283983078562
Energy: 1.3756906526683823
Energy: 1.10696415001954
Energy: 1.1387676261664963
Energy: 1.2439843896301515
Energy: 1.1387676261664963
Energy: 1.063443270640357
Energy: 1.0955310839108374
Energy: 1.2622040970132726
Energy: 1.0955310839108374
Energy: 1.0888803523339294
Energy: 1.2208731147822458
Energy: 1.3581510855005858
Energy: 1.2208731147822458
Energy: 1.0626733938992663
Energy: 1.094918815924414
Energy: 1.4103146442415297
Energy: 1.0949188159252572
Energy: 1.1060650865097343
Energy: 1.1629896889626505
Energy: 1.2424043432857366
Energy: 1.1629896889634936
Energy: 1.8251669021870722
Energy: 1.3755971884555818
Energy: 1.3236083138149521
Energy: 1.3755971884555818

minimum gb energy = 1.0593745981089504 eV
minimum distance =  2.29231942043091 Angstroms
sigma value = 53


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

Energy: 1.594283456941705
Energy: 1.239193566106
Energy: 1.1706326057933176
Energy: 1.324903843192579
Energy: 1.3855713754565488
Energy: 0.9724246052783221
Energy: 1.1735178003130038
Energy: 0.9724246052783221
Energy: 1.1679361955354157
Energy: 1.3254202690989434
Energy: 1.2538453076900407
Energy: 1.3254202690989434
Energy: 1.1545234358879741
Energy: 0.9734112340772688
Energy: 1.173456186101728
Energy: 0.9734112340772688
Energy: 1.2592790824483675
Energy: 1.1095497385760777
Energy: 0.9150034567468978
Energy: 1.1095497385760777
Energy: 1.1543000064823357
Energy: 1.4002335728457396
Energy: 0.9163661883142986
Energy: 1.4002335728457396
Energy: 1.6038189984158946
Energy: 1.2070412341614114
Energy: 1.1681219332269985
Energy: 1.2070412341614114
Energy: 1.3824535958653499
Energy: 0.974430725652055
Energy: 1.173336967545775
Energy: 0.9744307256539962
Energy: 1.1670813401456337
Energy: 1.3251729742022211
Energy: 1.2555408894332518
Energy: 1.3251729742022211
Energy: 1.1547136933770332
Energy: 0.9733704818382442
Energy: 1.173560799096613
Energy: 0.9733704818382442
Energy: 1.2583566801989539
Energy: 1.1100901751489458
Energy: 0.915529815767421
Energy: 1.110090175150887
Energy: 1.175118890140397
Energy: 1.1085090343134523
Energy: 0.9186827711674608
Energy: 1.1085090343134523
Energy: 1.3834392904395307
Energy: 0.9752830151311196
Energy: 1.1540413166027277
Energy: 0.9752830151311196

minimum gb energy = 0.9150034567468978 eV
minimum distance =  2.33051838781979 Angstroms
sigma value = 9


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

Energy: 1.5198235433274216
Energy: 1.355343052858678
Energy: 1.356595634736393
Energy: 1.3902574208149892
Energy: 1.272302712464063
Energy: 1.0449869071486266
Energy: 1.4539191170152348
Energy: 1.044986907147908
Energy: 1.0740496575821714
Energy: 1.1927397084992462
Energy: 1.391703180947762
Energy: 1.1927397084992462
Energy: 1.0509036137388232
Energy: 1.0451389724705333
Energy: 1.4200369637373842
Energy: 1.045138972469815
Energy: 1.049323877178771
Energy: 1.045678932993899
Energy: 1.4407170423859466
Energy: 1.0456789329946172
Energy: 1.163393941484145
Energy: 1.199911266079367
Energy: 1.4399298132540155
Energy: 1.199911266076493
Energy: 1.6968185791308783
Energy: 1.3558721542833705
Energy: 1.3493935996977307
Energy: 1.3558721542833705
Energy: 1.4832242431539993
Energy: 1.3737174151907365
Energy: 1.3370712964566567
Energy: 1.3737174151900182
Energy: 1.1483500783863638
Energy: 1.2729645819476902
Energy: 1.1463722775030627
Energy: 1.2729645819484088
Energy: 1.029182045780843
Energy: 1.1335029699183317
Energy: 1.3333978956177452
Energy: 1.1335029699168948
Energy: 1.1614531680723859
Energy: 1.158714260030943
Energy: 1.4157885697093853
Energy: 1.1587142600323797
Energy: 1.1641266890174655
Energy: 1.3220120021946846
Energy: 1.5238142383228501
Energy: 1.3220120021946846
Energy: 1.4709534590435076
Energy: 1.1839174752669006
Energy: 1.2450594714571535
Energy: 1.1839174752669006
Energy: 1.4188048118132714
Energy: 1.151919537082782
Energy: 1.1534892563924561
Energy: 1.1519195370820636
Energy: 1.3370113570430995
Energy: 1.1439020161174096
Energy: 1.1457184611698108
Energy: 1.1439020160384443
Energy: 1.2619697313699092
Energy: 1.2762984432244684
Energy: 1.0766393349852246
Energy: 1.2762984432244684
Energy: 1.333175148660469
Energy: 1.1831447704240188
Energy: 1.196237536254832
Energy: 1.1831447704247373
Energy: 1.3556051827958868
Energy: 1.3905133920773738
Energy: 1.5206165085392247
Energy: 1.390513392078092
Energy: 1.3994697913361676
Energy: 1.3520153900911942
Energy: 1.2644365233881543
Energy: 1.3520153900904759
Energy: 1.391114689580128
Energy: 1.3088476392890238
Energy: 1.0771667496021469
Energy: 1.3088476392890238
Energy: 1.4207619584344784
Energy: 1.0455570117908644
Energy: 1.048136770537362
Energy: 1.0455570117915827
Energy: 1.4313945339657166
Energy: 1.045110861582077
Energy: 1.0461604573926118
Energy: 1.045110861583514
Energy: 1.3728338884686213
Energy: 1.2010790678548933
Energy: 1.1651644266768393
Energy: 1.2010790678556118
Energy: 1.351891504783585
Energy: 1.3555183831546607
Energy: 1.4487838650821543
Energy: 1.3555183831539421
Energy: 1.3344117999318417
Energy: 1.2146144344573118
Energy: 1.5040150795341114
Energy: 1.2146144344580303
Energy: 1.1482020680011038
Energy: 1.2743782343052688
Energy: 1.1476417042490474
Energy: 1.2743782343052688
Energy: 1.2673822133587207
Energy: 1.1333625309899986
Energy: 1.0283531083731516
Energy: 1.1333625309899986
Energy: 1.4156801899729266
Energy: 1.1635527375591859
Energy: 1.1626262905695248
Energy: 1.1635527375591859
Energy: 1.5221202865992116
Energy: 1.3221632435420108
Energy: 1.1929374546281464
Energy: 1.3221632435420108
Energy: 1.3019342347995626
Energy: 1.1921123155183604
Energy: 1.4642047649155845
Energy: 1.192112315517642
Energy: 1.164646205930336
Energy: 1.154007403574293
Energy: 1.3936168052130884
Energy: 1.1540074035757297
Energy: 1.2188424980848676
Energy: 1.229156343693223
Energy: 1.3400937714880545
Energy: 1.2291563436925046
Energy: 1.0706445451742415
Energy: 1.2222450906677478
Energy: 1.2644051808565993
Energy: 1.222245090668466
Energy: 1.18235429855307
Energy: 1.1943837794704706
Energy: 1.1798385002212979
Energy: 1.1943837794697525
Energy: 1.5223183690464075
Energy: 1.3937549639501445
Energy: 1.3555915654910542
Energy: 1.393754963948708

minimum gb energy = 1.0283531083731516 eV
minimum distance =  2.28888329403945 Angstroms
sigma value = 73


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

Energy: 1.5556576460908567
Energy: 1.3116850401065645
Energy: 1.295149048669772
Energy: 1.3473997910722744
Energy: 1.1175150600336192
Energy: 1.2428036647484229
Energy: 1.2858595310968748
Energy: 1.2428036647484229
Energy: 1.0835242388760657
Energy: 1.2994048889918401
Energy: 1.329464229275514
Energy: 1.2994048889941199
Energy: 1.0771198499646137
Energy: 1.120267347173393
Energy: 1.386189070393034
Energy: 1.1202673471722533
Energy: 1.1017423780077824
Energy: 1.0866362231723856
Energy: 1.3332697888329053
Energy: 1.0866362231723856
Energy: 1.167431163829672
Energy: 1.2314805678399252
Energy: 1.3329890459053095
Energy: 1.2314805678410652
Energy: 1.3284420934998793
Energy: 1.3109838675289898
Energy: 1.3082065789562842
Energy: 1.3109838675289898
Energy: 1.3379909217752128
Energy: 1.2944601770180597
Energy: 1.3117666322910977
Energy: 1.2944601770180597
Energy: 1.166797381098018
Energy: 1.2669808572094818
Energy: 1.3419169533363995
Energy: 1.2669808572106218
Energy: 1.1378188541133936
Energy: 1.1793697621443742
Energy: 1.1570225326043033
Energy: 1.1793697621443742
Energy: 1.1924614497464983
Energy: 1.0900432661080934
Energy: 1.1583635447407443
Energy: 1.0900432661092332
Energy: 1.1821863534487094
Energy: 1.2661158067830467
Energy: 1.4251520417746948
Energy: 1.266115806781907
Energy: 1.1596831057926575
Energy: 1.1622321806225802
Energy: 1.1105842657181315
Energy: 1.1622321806237201
Energy: 1.3347193794511694
Energy: 1.1942776903417036
Energy: 1.2285061567274078
Energy: 1.1942776903417036
Energy: 1.2195268859294222
Energy: 1.174517817960527
Energy: 1.1325089751431365
Energy: 1.174517817960527
Energy: 1.5642562110168077
Energy: 1.3080316472179632
Energy: 1.134232232987461
Energy: 1.3080316472179632
Energy: 1.3336701394951118
Energy: 1.3220100872062617
Energy: 1.2879539060888274
Energy: 1.3220100872051217
Energy: 1.275550525790744
Energy: 1.3488057957977575
Energy: 1.8305089938290768
Energy: 1.3488057957977575
Energy: 1.1550969044919541
Energy: 1.267000761867984
Energy: 1.259440287744848
Energy: 1.267000761867984
Energy: 1.2504058956491304
Energy: 1.1941205896392848
Energy: 1.1960409466888142
Energy: 1.1941205896381448
Energy: 1.2411412194028602
Energy: 1.1974968948238305
Energy: 1.1372827109381805
Energy: 1.1974968948238305
Energy: 1.3905273013277775
Energy: 1.2694770113379845
Energy: 1.3009102358545075
Energy: 1.2694770113379845

minimum gb energy = 1.0771198499646137 eV
minimum distance =  2.30468037685905 Angstroms
sigma value = 7


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

Energy: 1.816075916948302
Energy: 1.309154156757647
Energy: 1.307676560427028
Energy: 1.3380830157338814
Energy: 1.169778621208253
Energy: 1.2959350089440682
Energy: 1.307647079738107
Energy: 1.2959350089440682
Energy: 1.1258055598480745
Energy: 1.3039970955673696
Energy: 1.2734324138786457
Energy: 1.3039970955665638
Energy: 1.0939146248675866
Energy: 1.1095799262826045
Energy: 1.2815109591168874
Energy: 1.1095799262834103
Energy: 1.1783035893149718
Energy: 1.133435846345293
Energy: 1.2643162285746123
Energy: 1.1334358463460987
Energy: 1.1850492298068003
Energy: 1.262037560334294
Energy: 1.2667662218707196
Energy: 1.262037560334294
Energy: 1.485626353104216
Energy: 1.2603630651964661
Energy: 1.1897352100655958
Energy: 1.2603630651964661
Energy: 1.3275503316559627
Energy: 1.1280704321158934
Energy: 1.161562851204842
Energy: 1.128070432116699
Energy: 1.2370669992329455
Energy: 1.0893216000898327
Energy: 1.089509073656471
Energy: 1.0893216000914447
Energy: 1.4348116023238275
Energy: 1.2953981617073103
Energy: 1.1019687399191658
Energy: 1.2953981617081163
Energy: 1.3301502148128723
Energy: 1.317282223038954
Energy: 1.119438572122751
Energy: 1.317282223041372
Energy: 1.3270273759273241
Energy: 1.321534478504396
Energy: 1.6241317889922937
Energy: 1.3215344785052021
Energy: 1.1464371746332078
Energy: 1.2557866801030757
Energy: 1.217218828054882
Energy: 1.2557866801030757
Energy: 1.1363841247002215
Energy: 1.17345000648371
Energy: 1.144813807000418
Energy: 1.173450006484516
Energy: 1.1372662003608063
Energy: 1.1853829552550272
Energy: 1.0841290013963654
Energy: 1.1853829552566395
Energy: 1.7221292908531824
Energy: 1.1826881767663888
Energy: 1.2245925012684018
Energy: 1.1826881767663888
Energy: 1.3765753979039108
Energy: 1.2005424627291634
Energy: 1.2370407608794451
Energy: 1.2005424627307755
Energy: 1.1351590478939255
Energy: 1.3170043991037728
Energy: 1.2718409220454474
Energy: 1.3170043991053848
Energy: 1.1494299110088153
Energy: 1.2815828076938083
Energy: 1.3177716677214575
Energy: 1.2815828076938083
Energy: 1.1680915510061047
Energy: 1.272557579509329
Energy: 1.2986114305636338
Energy: 1.272557579509329
Energy: 1.2065982068387466
Energy: 1.314404797520316
Energy: 1.4378595821274776
Energy: 1.31440479751951
Energy: 1.424328748329259
Energy: 1.2749969925464224
Energy: 1.2305417391683466
Energy: 1.2749969925472284
Energy: 1.4273079263522648
Energy: 1.1315503809168916
Energy: 1.1610061142670673
Energy: 1.1315503809176977
Energy: 1.2447560734876055
Energy: 1.1122336833096957
Energy: 1.102722710313121
Energy: 1.1122336833080835
Energy: 1.4357770044178315
Energy: 1.2929435789339097
Energy: 1.1030200176522968
Energy: 1.2929435789331036
Energy: 1.2747819002078629
Energy: 1.2600127496067346
Energy: 1.1220711161419463
Energy: 1.2600127496067346
Energy: 1.307184717005973
Energy: 1.3489759651954076
Energy: 1.6204565614956477
Energy: 1.3489759651946016
Energy: 1.1699059066903648
Energy: 1.2634169782816442
Energy: 1.118844449193781
Energy: 1.26341697802302
Energy: 1.213105926081363
Energy: 1.2522173550299458
Energy: 1.1027789183236254
Energy: 1.2522173550291402
Energy: 1.1679886769344923
Energy: 1.1839220052522843
Energy: 1.1437955590742368
Energy: 1.1839220052522843
Energy: 1.3224975525173681
Energy: 1.2703528853044015
Energy: 1.292357408114865
Energy: 1.2703528853060138

minimum gb energy = 1.0841290013963654 eV
minimum distance =  2.26354785115932 Angstroms
sigma value = 29


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

Energy: 0.9692217761646928
Energy: 0.9716029550164252
Energy: 1.1235349653405056
Energy: 1.157567277104812
Energy: 1.0710219055673567
Energy: 1.0524382387872455
Energy: 1.1014766261124451
Energy: 1.0524382387872455
Energy: 1.1890010886836981
Energy: 1.1169575032148278
Energy: 1.0628952340439222
Energy: 1.1169387909396788
Energy: 1.0712592774190675
Energy: 1.0174414055256245
Energy: 1.102088872449767
Energy: 1.0174414055259051
Energy: 1.068321197545303
Energy: 1.1965476590440325
Energy: 0.9700666496496442
Energy: 1.1965476590434712
Energy: 1.1046049949453731
Energy: 1.1179750089092122
Energy: 0.9702342712699571
Energy: 1.1179750089086815
Energy: 0.9779048465279213
Energy: 1.0173420007969165
Energy: 1.1893607133335502
Energy: 1.0173420007977276
Energy: 1.1014319615991615
Energy: 0.9866461640294041
Energy: 1.1467213644322933
Energy: 0.9866461640041668
Energy: 1.0713289324528044
Energy: 0.986075098954641
Energy: 1.0647567558934268
Energy: 0.9860750989521765

minimum gb energy = 0.9692217761646928 eV
minimum distance =  2.2938571448743 Angstroms
sigma value = 5


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

Energy: 1.411607152783808
Energy: 0.9932321890532962
Energy: 1.2369501163642644
Energy: 1.2038450900466355
Energy: 1.2280949862199888
Energy: 1.1457330531862624
Energy: 1.1804082598567764
Energy: 1.1457330531877852
Energy: 1.1692042298288634
Energy: 1.1780447236004785
Energy: 1.1659508321221246
Energy: 1.1780447236012397
Energy: 1.0928942203502703
Energy: 1.124384013388805
Energy: 1.263435457161328
Energy: 1.1243840133895664
Energy: 1.1046731198474096
Energy: 1.0742880009082427
Energy: 1.5682902835727748
Energy: 1.0742880009097655
Energy: 1.1054023462206075
Energy: 1.0244093243052215
Energy: 1.3598784737472662
Energy: 1.0244093243052215
Energy: 0.998552104494175
Energy: 0.9992707511899982
Energy: 1.2644600944533764
Energy: 0.9992707511899982
Energy: 1.0156238216708389
Energy: 1.130749050727084
Energy: 1.4181268333607393
Energy: 1.1307490507278455
Energy: 1.1825259416597562
Energy: 1.2977058935437775
Energy: 1.2732609876701093
Energy: 1.297705893543016
Energy: 1.2446259322511815
Energy: 1.1003993228265432
Energy: 1.039163298891817
Energy: 1.1003993228265432
Energy: 1.1791961601072887
Energy: 0.9867480996052441
Energy: 0.9907715807948815
Energy: 0.9867480996060055
Energy: 1.2934115895918807
Energy: 1.0131120954037491
Energy: 1.0726445701826937
Energy: 1.0131120954037491
Energy: 1.3903917204849912
Energy: 1.1697123379944205
Energy: 1.2462512849999852
Energy: 1.169712337992898
Energy: 1.2474034959902245
Energy: 1.2270967979122047
Energy: 1.2398958881934117
Energy: 1.2270967979114435
Energy: 1.056009197763098
Energy: 1.064250775906734
Energy: 1.2363442422054103
Energy: 1.064250775906734
Energy: 1.0595047194783875
Energy: 1.0400756354212481
Energy: 1.1867595066816004
Energy: 1.0400756354212481
Energy: 1.1171907605713192
Energy: 0.9722039955073739
Energy: 1.6840606819366715
Energy: 0.9722039955104196
Energy: 1.2525206412618934
Energy: 1.1704402092888222
Energy: 1.1934837097571225
Energy: 1.1704402092865378
Energy: 1.2427085306286179
Energy: 1.196042151839522
Energy: 1.2419176503213194
Energy: 1.1960421518402833
Energy: 1.2630777580735102
Energy: 1.133672783292339
Energy: 1.0895573384128079
Energy: 1.1336727832931006
Energy: 1.436314209989621
Energy: 1.1171868244765784
Energy: 1.1498720045521809
Energy: 1.117186824475817
Energy: 1.5694684974619293
Energy: 1.006537597681902
Energy: 1.087642343606256
Energy: 1.0065375976826634
Energy: 1.2478603096286107
Energy: 1.0051791231232945
Energy: 1.007259351645566
Energy: 1.0051791231248175
Energy: 1.3922768482568866
Energy: 1.1545251362567504
Energy: 1.0103129525192593
Energy: 1.1545251362567504
Energy: 1.2932033944758947
Energy: 1.2724451312314107
Energy: 1.2300621876638993
Energy: 1.2724451312314107
Energy: 1.0057495609008278
Energy: 1.0387997167181768
Energy: 1.2447205609911256
Energy: 1.0387997167189384
Energy: 1.0180481655012812
Energy: 1.0071018888146255
Energy: 1.2216926106078054
Energy: 1.0071018888146255
Energy: 1.0315474611596802
Energy: 0.9873547442373692
Energy: 1.248743229053117
Energy: 0.9873547442343236
Energy: 1.1436646821006162
Energy: 0.9815169324159605
Energy: 1.415835540174009
Energy: 0.9815169324151992
Energy: 1.2355041980450348
Energy: 1.2473046886380112
Energy: 1.269999306278334
Energy: 1.2473046886387726
Energy: 1.2355391870844412
Energy: 1.0794054457304425
Energy: 1.0031849911777788
Energy: 1.0794054457319655
Energy: 1.2420567598351993
Energy: 0.9985326134098037
Energy: 1.0049977420666523
Energy: 0.9985326134098037
Energy: 1.755755836131606
Energy: 0.9984865282137058
Energy: 1.1896108490776582
Energy: 0.9984865282129445

minimum gb energy = 0.9722039955073739 eV
minimum distance =  2.27098421587177 Angstroms
sigma value = 1


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

Energy: 1.5222302303252377
Energy: 0.9541467770749862
Energy: 1.1934741808234466
Energy: 0.9589640221529503
Energy: 1.271981690566272
Energy: 1.1441787376866115
Energy: 1.1206517765367636
Energy: 1.1441787376855586
Energy: 1.17930209696098
Energy: 1.0413023854910277
Energy: 1.1746981647954584
Energy: 1.0413023854899748
Energy: 1.0781633777216306
Energy: 1.1194338105482262
Energy: 1.1216280569084356
Energy: 1.1194338105482262
Energy: 1.0559174191563168
Energy: 0.9687500535199081
Energy: 1.3018902208262866
Energy: 0.9687500535188553
Energy: 1.021745511954519
Energy: 0.9688903692787556
Energy: 1.3009888328977355
Energy: 0.9688903692787556
Energy: 0.9687960160663576
Energy: 0.968410359411057
Energy: 1.2779757368029796
Energy: 0.9684103594121097
Energy: 0.9858653324015977
Energy: 1.117905945335992
Energy: 1.5328534700240097
Energy: 1.117905945335992
Energy: 1.2399322516014302
Energy: 1.2621607356680977
Energy: 1.2337593024346545
Energy: 1.2621607356680977
Energy: 1.2909060185673755
Energy: 1.128316530769595
Energy: 1.0286269353514033
Energy: 1.128316530769595
Energy: 1.2402939727198765
Energy: 0.9197555627222594
Energy: 1.046320260928514
Energy: 0.9197555627222594
Energy: 1.336077753321566
Energy: 0.9193462530843558
Energy: 0.99147176084918
Energy: 0.9193462530843558
Energy: 1.3765731347458048
Energy: 0.9189913793990805
Energy: 1.0096775292731368
Energy: 0.9189913794001332
Energy: 1.287069479586542
Energy: 1.0837275589748114
Energy: 1.2404815751725606
Energy: 1.0837275589748114
Energy: 1.085386622532477
Energy: 1.0665518531860194
Energy: 1.2368290551835672
Energy: 1.0665518531849667
Energy: 1.0845094806624516
Energy: 1.097738661613097
Energy: 1.1766107647747563
Energy: 1.0977386616120446
Energy: 1.3530452152866197
Energy: 1.1989529033926067
Energy: 1.7770543281261544
Energy: 1.1989529033926067
Energy: 1.0375630362831714
Energy: 0.9686733448562792
Energy: 1.3037375129246342
Energy: 0.9686733448562792
Energy: 0.9830487149210989
Energy: 0.968593617653207
Energy: 1.234194138153339
Energy: 0.968593617653207
Energy: 0.9677882205830098
Energy: 1.1182205044554137
Energy: 1.5315142692738966
Energy: 1.1182205044554137
Energy: 1.2631805992521588
Energy: 1.2694567235033654
Energy: 1.3361417701568796
Energy: 1.2694567235033654
Energy: 1.2708498860004727
Energy: 1.072360930225575
Energy: 0.9595223105867361
Energy: 1.072360930225575
Energy: 1.3320497055626326
Energy: 0.958810725617622
Energy: 0.960174842332061
Energy: 0.958810725617622
Energy: 1.523974302599627
Energy: 0.9964879056089304
Energy: 1.1684685047912653
Energy: 0.9964879056078777

minimum gb energy = 0.9189913793990805 eV
minimum distance =  2.2788426750407 Angstroms
sigma value = 17


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

Energy: 1.4841599894436224
Energy: 0.9334422555772315
Energy: 1.1918596989429824
Energy: 1.1969422835657166
Energy: 1.4601773125863091
Energy: 0.94076938180292
Energy: 1.0868280666064893
Energy: 0.9407693818016187
Energy: 1.2084601683832557
Energy: 1.0957818502164736
Energy: 1.0870495991871942
Energy: 1.0957818502164736
Energy: 1.210824826716423
Energy: 1.0953575288399642
Energy: 1.1586663187752728
Energy: 1.0953575288419162
Energy: 1.0733725929603515
Energy: 1.1021013642370185
Energy: 1.3203748836215672
Energy: 1.1021013642396214
Energy: 0.9517230281289313
Energy: 0.92215651189864
Energy: 1.372295306426331
Energy: 0.9221565118979893
Energy: 0.9218821780040107
Energy: 0.9207782283748656
Energy: 1.344049876507187
Energy: 0.9207782283748656
Energy: 0.9449450860118699
Energy: 0.9206782339734237
Energy: 1.4878618850302339
Energy: 0.9206782339721225
Energy: 1.2409448576075095
Energy: 1.2452679881362145
Energy: 1.350751254771777
Energy: 1.245267988136865
Energy: 1.0764047620254986
Energy: 1.2414470694219784
Energy: 1.0773968307614543
Energy: 1.2414470694232798
Energy: 1.3190607700099832
Energy: 1.1370260823887997
Energy: 0.9452542263072193
Energy: 1.1370260826964527
Energy: 1.3680847816306572
Energy: 0.9433752813106051
Energy: 1.071492486031069
Energy: 0.9433752813053997
Energy: 1.5458403169672124
Energy: 0.934402431425124
Energy: 0.98147434327075
Energy: 0.934402431425124
Energy: 1.3196974565843702
Energy: 0.9340959103868447
Energy: 0.9376486810534854
Energy: 0.9340959103868447
Energy: 1.2190618215742894
Energy: 0.9343950009822252
Energy: 0.9418805942165355
Energy: 0.934395000982876
Energy: 1.389185825004045
Energy: 1.2562303297171975
Energy: 1.3199129722877667
Energy: 1.2562303297171975
Energy: 0.9347110224822645
Energy: 1.098278494684158
Energy: 1.3473172463214398
Energy: 1.0982784946828568
Energy: 0.9391423226700758
Energy: 0.9344777808363052
Energy: 1.3230031393629083
Energy: 0.9344777808356545
Energy: 0.9803080324078604
Energy: 0.9347207695215781
Energy: 1.3492995111040968
Energy: 0.9347207695209274
Energy: 0.9893648013084839
Energy: 0.9344469184668284
Energy: 1.4849096821442818
Energy: 0.9344469186326334
Energy: 1.0844573955200816
Energy: 0.9348253582196868
Energy: 1.3806434939367496
Energy: 0.9348253582196868
Energy: 1.0829336333881283
Energy: 1.0982470091685879
Energy: 1.206084452230418
Energy: 1.0982470091679373
Energy: 1.0775038250606404
Energy: 1.0960184681583547
Energy: 1.220664058613649
Energy: 1.096018468159656
Energy: 1.3541522876897394
Energy: 0.9208654567392547
Energy: 0.9501659394892531
Energy: 0.920865456736652
Energy: 1.3686250377472517
Energy: 0.9261343297377761
Energy: 0.9481867493641399
Energy: 0.9261343297371254
Energy: 1.3459783665105396
Energy: 0.9198718070922572
Energy: 0.9250191029823457
Energy: 0.9198718070929078
Energy: 1.4859027601518195
Energy: 0.9215796757203978
Energy: 0.9261902817256271
Energy: 0.9215796749503478
Energy: 1.3475857932311082
Energy: 1.2119067626063595
Energy: 1.244501585483021
Energy: 1.2119067626063595
Energy: 1.0888494010214553
Energy: 1.1031024275585402
Energy: 1.0791639787117795
Energy: 1.1031024275585402
Energy: 0.9467836683476663
Energy: 0.936463546215734
Energy: 1.3168700927850672
Energy: 0.9364635462183367
Energy: 1.0734129465215894
Energy: 0.9752403637779464
Energy: 1.4549195521459592
Energy: 0.975240363776645
Energy: 1.0073994511795057
Energy: 0.9754589302539671
Energy: 1.3740446878821282
Energy: 0.9754589302546178
Energy: 0.9345321116004811
Energy: 0.9340106178968635
Energy: 1.3186425027814874
Energy: 0.9340106178962128
Energy: 0.946075867741336
Energy: 0.934445547897275
Energy: 1.2105970096691618
Energy: 0.9344455478979258
Energy: 1.322371923549524
Energy: 1.265323952755699
Energy: 1.3851472772183733
Energy: 1.265323952755699
Energy: 1.3463090396674913
Energy: 1.0963848083590813
Energy: 0.934573614390159
Energy: 1.0963848083577798
Energy: 1.3226264513053863
Energy: 0.9349262527063253
Energy: 0.9357767789714155
Energy: 0.9349262527056745
Energy: 1.351317773544331
Energy: 0.9344456815597518
Energy: 1.0019003704319127
Energy: 0.9344456815610533

minimum gb energy = 0.9198718070922572 eV
minimum distance =  2.27661552951292 Angstroms
sigma value = 89


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

Energy: 1.5537587882329538
Energy: 1.2132676377700007
Energy: 0.8419063826325361
Energy: 1.0291482347220748
Energy: 1.3717905896962619
Energy: 1.0347901075524464
Energy: 1.1217473925392463
Energy: 1.0347901075524464
Energy: 0.8342291609388892
Energy: 1.1993811957457037
Energy: 1.122780383550886
Energy: 1.1993811957457037
Energy: 0.8381002882993835
Energy: 1.0348767988043077
Energy: 1.1213986354504655
Energy: 1.0348767988043077
Energy: 0.9190310861329959
Energy: 1.0282973666938515
Energy: 1.1184029958332582
Energy: 1.0282973666938515
Energy: 0.8415948269252983
Energy: 1.028260092919519
Energy: 1.1173906010313515
Energy: 1.028260092919519
Energy: 0.8420490270370466
Energy: 0.8405678278140977
Energy: 1.121796952836841
Energy: 0.8405678278140977
Energy: 0.8412178822983212
Energy: 0.8413746382595443
Energy: 1.5578606046460797
Energy: 0.8413746382595443
Energy: 1.1092791137180382
Energy: 1.0355623102318547
Energy: 1.3758177866444818
Energy: 1.0355623102335572
Energy: 1.1957248493520956
Energy: 1.1986773551854246
Energy: 1.1242585743377842
Energy: 1.1986773551854246
Energy: 1.1218524866677675
Energy: 1.0352864841916796
Energy: 0.8335683986251672
Energy: 1.0352864840861624
Energy: 1.1171280948236786
Energy: 1.0355315562076364
Energy: 0.9218336530131874
Energy: 1.0355315562076364
Energy: 1.192655894374825
Energy: 1.028929797939711
Energy: 1.0938390008472836
Energy: 1.0289297979414134
Energy: 1.1217658693896737
Energy: 1.035303591356581
Energy: 0.8403782463874571
Energy: 1.035303591356581
Energy: 1.3713136247546645
Energy: 0.8410440216908341
Energy: 0.8414242301281326
Energy: 0.8410440216908341

minimum gb energy = 0.8335683986251672 eV
minimum distance =  2.30063335530712 Angstroms
sigma value = 13


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

Energy: 1.3456443735328436
Energy: 0.8545489884006279
Energy: 1.142533978241054
Energy: 0.8335539556964698
Energy: 1.373972375161058
Energy: 0.8271870223063665
Energy: 0.9783206261393165
Energy: 0.8271870223035122
Energy: 1.3291041142237823
Energy: 1.0178492633513485
Energy: 0.9434956594304181
Energy: 1.0178492633484943
Energy: 1.0507514283437565
Energy: 1.0149242963727443
Energy: 0.9749464908978285
Energy: 1.0149242963648948
Energy: 1.2338027353479266
Energy: 1.187310068075385
Energy: 1.2368228835070756
Energy: 1.187310068078888
Energy: 0.977207242387546
Energy: 1.016660202163577
Energy: 1.2266785258451272
Energy: 1.0166602021628637
Energy: 0.9758998927183291
Energy: 0.8274257676376363
Energy: 1.401366713993874
Energy: 0.8274257676404907
Energy: 0.9799364769769264
Energy: 0.8269031757069328
Energy: 1.5358946833670473
Energy: 0.8269031757040785
Energy: 0.8407094919546012
Energy: 0.8314205988747982
Energy: 1.3985013698306197
Energy: 0.8314205988776526
Energy: 0.830249795312173
Energy: 0.8268621444043397
Energy: 1.4003047345641584
Energy: 0.8268621444079077
Energy: 0.8266354427566569
Energy: 0.8587006662670553
Energy: 1.3458930178606558
Energy: 0.8587006662649146
Energy: 1.2266642580791327
Energy: 1.0166075276354734
Energy: 1.4136227005480462
Energy: 1.0166075276347597
Energy: 1.2285181345084641
Energy: 1.1945978064099796
Energy: 1.2287627030395376
Energy: 1.194597806410693
Energy: 1.2601334471811496
Energy: 1.0163773058424055
Energy: 1.051407636795856
Energy: 1.016377305838124
Energy: 1.3864118337388318
Energy: 1.012450634090275
Energy: 1.2282671858318526
Energy: 1.0124506340917023
Energy: 1.3807153556024354
Energy: 0.8267736242204211
Energy: 0.8395616517327456
Energy: 0.8267736242189938
Energy: 1.2488638302870314
Energy: 0.827209739234566
Energy: 0.828354254416687
Energy: 0.8272097392331387
Energy: 1.3486558541235332
Energy: 0.8273522780088187
Energy: 0.8555489474322526
Energy: 0.8273522780081051
Energy: 1.4253436570411024
Energy: 0.8270780860074871
Energy: 1.0076600305826164
Energy: 0.8270780860067733
Energy: 1.4013942158590094
Energy: 0.827356729284675
Energy: 0.93834331366917
Energy: 0.8273567292903836
Energy: 1.047808639202344
Energy: 1.0417427407228288
Energy: 0.9772559123540254
Energy: 1.0417427407214017
Energy: 1.3097969918600598
Energy: 1.1862303641594618
Energy: 1.223890360822863
Energy: 1.1862303641580347
Energy: 0.983562538637797
Energy: 1.0174831817510268
Energy: 1.2051766833522712
Energy: 1.0174831817510268
Energy: 0.8257100972326067
Energy: 0.8276684333590052
Energy: 1.4011039750262224
Energy: 0.827668433299064
Energy: 1.0215483139158477
Energy: 0.8561350825608152
Energy: 1.414248354856047
Energy: 0.8561350825622424
Energy: 0.8637883165107327
Energy: 0.8568236233856442
Energy: 1.3979132663212968
Energy: 0.8568236233884986
Energy: 0.8273564068889823
Energy: 0.8265579795498722
Energy: 1.3986382740308365
Energy: 0.826557979552013
Energy: 0.8262321830630649
Energy: 0.8280883079738756
Energy: 1.3483070485271151
Energy: 0.8280883079753028
Energy: 1.2009140132095295
Energy: 1.0148325805118417
Energy: 1.4264235775942347
Energy: 1.0148325805104794
Energy: 0.9376593218528462
Energy: 1.1936685439510801
Energy: 1.2307252907625723
Energy: 1.1936685439496528
Energy: 1.2553061780772485
Energy: 1.212969018025008
Energy: 1.0493841328414442
Energy: 1.2129690180242942
Energy: 1.3808638942005171
Energy: 1.0127993237285309
Energy: 1.1953332816718445
Energy: 1.0127993237285309
Energy: 1.3878247957740957
Energy: 0.8273523054425788
Energy: 0.826494214966666
Energy: 0.8273523054418653
Energy: 1.4038423360733738
Energy: 0.8272963083896782
Energy: 0.8275354999088126
Energy: 0.827296308388251
Energy: 1.4190875190288745
Energy: 0.8267692555689703
Energy: 0.8328989121062693
Energy: 0.8267692555668295

minimum gb energy = 0.8257100972326067 eV
minimum distance =  2.29324236791232 Angstroms
sigma value = 37


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

Energy: 1.1466501045579265
Energy: 1.3688809022036519
Energy: 0.7593941059871979
Energy: 0.8037539907079372
Energy: 1.403454505827601
Energy: 0.7582862623076595
Energy: 0.9995884683804508
Energy: 0.7582862623088871
Energy: 1.2206941682480548
Energy: 0.9660742145041162
Energy: 0.985766240346046
Energy: 0.9660742145053438
Energy: 1.1520225109642703
Energy: 0.966705475737723
Energy: 0.9988109780418469
Energy: 0.9667054757389507
Energy: 1.2301726597560947
Energy: 0.8276349331007923
Energy: 0.9511091023936978
Energy: 0.8276349330995646
Energy: 0.9971127501241185
Energy: 0.9667440566705512
Energy: 1.0954411384660547
Energy: 0.9667440566693235
Energy: 0.7545476812078934
Energy: 0.7582564394625724
Energy: 1.3126167856128108
Energy: 0.7582564394625724
Energy: 0.8444239647295521
Energy: 0.7592649467376257
Energy: 1.4723551544353413
Energy: 0.7592649467363979
Energy: 0.7587011234199323
Energy: 0.758538492243055
Energy: 1.315490276680241
Energy: 0.7585384922442826
Energy: 0.7592855934363513
Energy: 0.7586494508958905
Energy: 1.3219896834640306
Energy: 0.7586494508958905
Energy: 0.759394108439055
Energy: 0.803753990676017
Energy: 1.1466501045579265
Energy: 1.3688809022036519
Energy: 0.9995884683804508
Energy: 0.7582862623076595
Energy: 1.403454505827601
Energy: 0.7582862623064317
Energy: 0.985766240346046
Energy: 0.9660742145053438
Energy: 1.2206941682480548
Energy: 0.9660742145053438
Energy: 0.9988109780381639
Energy: 0.966705475737723
Energy: 1.1520225109642703
Energy: 0.966705475737723
Energy: 0.95110910239247
Energy: 0.8276349330995646
Energy: 1.2301726597560947
Energy: 0.8276349330995646
Energy: 1.0954411384660547
Energy: 0.9667440566693235
Energy: 0.9971127501253462
Energy: 0.9667440566693235
Energy: 1.3126167856140383
Energy: 0.7582564394625724
Energy: 0.7545476812078934
Energy: 0.7582564394625724
Energy: 1.4723551544353413
Energy: 0.7592649467376257
Energy: 0.8444239647295521
Energy: 0.7592649467376257
Energy: 1.315490276680241
Energy: 0.7585384922442826
Energy: 0.7587011234199323
Energy: 0.758538492243055
Energy: 1.3219896834640306
Energy: 0.7586494508958905
Energy: 0.7592855934351235
Energy: 0.7586494508958905

minimum gb energy = 0.7545476812078934 eV
minimum distance =  2.30431098208353 Angstroms
sigma value = 25


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

Energy: 1.3937692235586736
Energy: 0.7459678261525533
Energy: 0.6891259332409863
Energy: 0.7292082030036949
Energy: 1.4452415717622584
Energy: 0.687054206077707
Energy: 0.8808236411637044
Energy: 0.687054206077707
Energy: 1.237166449221966
Energy: 0.857395221178729
Energy: 0.8389336931842025
Energy: 0.8573952211777702
Energy: 0.9795444811769773
Energy: 0.8586563798157473
Energy: 0.8329167213651864
Energy: 0.8586563798205407
Energy: 1.2452656417570875
Energy: 0.8920803459980635
Energy: 1.15731118584077
Energy: 0.8920803459990222
Energy: 1.024952540917407
Energy: 1.046683350756288
Energy: 1.1524518738194853
Energy: 1.046683350756288
Energy: 0.9844192244727247
Energy: 0.8918925219764704
Energy: 1.347746594354183
Energy: 0.8918925219764704
Energy: 0.8784746055263767
Energy: 0.858247952866793
Energy: 1.1888708156887253
Energy: 0.8582479061042998
Energy: 0.8787444387501733
Energy: 0.8571023183329914
Energy: 1.3374863902653664
Energy: 0.8571023183329914
Energy: 0.8886318042090529
Energy: 0.6871592792712171
Energy: 1.2496058756212898
Energy: 0.6871592792712171
Energy: 0.6881039098420948
Energy: 0.7288394656708875
Energy: 1.185347958323374
Energy: 0.7288394656699287
Energy: 0.6930069427451682
Energy: 0.6873944441221304
Energy: 1.3488178781356273
Energy: 0.6873944441211716
Energy: 0.6907473994639433
Energy: 0.6877554631414623
Energy: 1.436474396163066
Energy: 0.6877554631414623
Energy: 0.756366564490202
Energy: 0.6877114265459553
Energy: 1.3961515611255735
Energy: 0.687711426546914
Energy: 0.8386520028056009
Energy: 0.6869049829759984
Energy: 1.3484716597670372
Energy: 0.6869049829759984
Energy: 0.8333545849369798
Energy: 0.8577572958932738
Energy: 1.2407903790724908
Energy: 0.8577572958961497
Energy: 1.122854882221061
Energy: 0.8921839013423131
Energy: 1.2358319059048335
Energy: 0.8921839013432717
Energy: 0.8331125981838294
Energy: 1.021493392787229
Energy: 1.2988515001727514
Energy: 1.021493392787229
Energy: 1.157412429905159
Energy: 1.0473205173503937
Energy: 1.0252174762387416
Energy: 1.0473205173503937
Energy: 1.349528158841036
Energy: 0.8915787522614381
Energy: 1.027969538443552
Energy: 0.8915787522623967
Energy: 1.1862833993802755
Energy: 0.8580650589112233
Energy: 0.8778306393604008
Energy: 0.8580650589112233
Energy: 1.3368671459349988
Energy: 0.856174904425242
Energy: 0.6886000816605763
Energy: 0.856174904425242
Energy: 1.3359878890472396
Energy: 0.6875226416295191
Energy: 0.8924771033978671
Energy: 0.6875226416295191
Energy: 1.187079534659018
Energy: 0.6884593706115922
Energy: 0.6875894466094268
Energy: 0.6884593706097185
Energy: 1.4511076638628018
Energy: 0.6871694618611589
Energy: 0.6882293417952997
Energy: 0.6871694618602001
Energy: 1.240669653872272
Energy: 0.6876762740292041
Energy: 0.687729710541321
Energy: 0.6876762740301628

minimum gb energy = 0.6869049829759984 eV
minimum distance =  2.29893688425316 Angstroms
sigma value = 41


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

Energy: 1.5469149259802408
Energy: 0.6836226385917922
Energy: 0.6922861401354596
Energy: 0.6341107843607154
Energy: 1.3716695895110498
Energy: 0.6290679401408777
Energy: 0.7545383369492467
Energy: 0.6290679401408777
Energy: 1.2736544134856191
Energy: 0.7727069299395958
Energy: 0.752214808230487
Energy: 0.7727069299388096
Energy: 1.192282536456613
Energy: 0.7732039642729732
Energy: 1.0101927783604585
Energy: 0.7732039642729732
Energy: 1.28041868958483
Energy: 0.8095243873025836
Energy: 0.9887084125992016
Energy: 0.8095243873033695
Energy: 1.1027546017492884
Energy: 0.9829725664326651
Energy: 1.0244268957226887
Energy: 0.9829725664318792
Energy: 1.108804020509531
Energy: 0.9816241734485596
Energy: 1.1924282359200018
Energy: 0.9816241734477738
Energy: 1.1135117638965892
Energy: 0.9492305510862877
Energy: 1.0272716597792664
Energy: 0.9492305510855017
Energy: 0.8691289555053942
Energy: 0.9502045678969718
Energy: 1.1885113593787366
Energy: 0.9502045678969718
Energy: 0.8699853664204493
Energy: 0.8137360772153825
Energy: 1.2804902085330168
Energy: 0.8137360772153825
Energy: 0.7446039335987036
Energy: 0.7732209398859683
Energy: 1.3687854384570877
Energy: 0.7732209398859683
Energy: 0.7458902468456616
Energy: 0.7727784306326657
Energy: 1.361738523937324
Energy: 0.7727784306310939
Energy: 0.8036476501191598
Energy: 0.6287359281662807
Energy: 1.3622499895645264
Energy: 0.6287359281662807
Energy: 0.6289158565857458
Energy: 0.6302127012469015
Energy: 1.3705270850906182
Energy: 0.630212701253975
Energy: 0.6313206387925195
Energy: 0.6281652629780646
Energy: 1.2773558214800276
Energy: 0.6281652629780646
Energy: 0.6369047375378657
Energy: 0.6293371889336706
Energy: 1.2765511955748177
Energy: 0.6293371889328847
Energy: 0.7461736742338104
Energy: 0.6293510333520406
Energy: 1.2711065918691524
Energy: 0.6293510333512545
Energy: 0.7453821410146511
Energy: 0.7566783511458415
Energy: 1.2777910424719858
Energy: 0.7566783511599529
Energy: 0.7443375339712783
Energy: 0.7736385879257772
Energy: 1.148942731722494
Energy: 0.7736385879257772
Energy: 1.036415420251845
Energy: 0.8105229305315149
Energy: 1.1471587292879926
Energy: 0.810522930530729
Energy: 1.0260005647339208
Energy: 0.953719455117966
Energy: 1.1926115303052236
Energy: 0.953719455117966
Energy: 1.0314108655018919
Energy: 0.9858528427507581
Energy: 1.1545813986220836
Energy: 0.9858528427507581
Energy: 1.1886216120929236
Energy: 0.9758456278880087
Energy: 1.1010061397282658
Energy: 0.9758456278887947
Energy: 1.027803687915835
Energy: 0.9491737597406207
Energy: 0.9911255503477375
Energy: 0.9491737597406207
Energy: 1.1928633751743998
Energy: 0.9502348312898402
Energy: 0.8600117257715733
Energy: 0.9502348312898402
Energy: 1.1922747253552117
Energy: 0.8104034858292979
Energy: 1.0262177899202103
Energy: 0.8104034858292979
Energy: 1.1952251449349172
Energy: 0.7735988656448182
Energy: 0.7448252266108222
Energy: 0.7735988656950836
Energy: 1.3705700057767858
Energy: 0.7565992157212543
Energy: 0.7436489602516976
Energy: 0.7565992157204683
Energy: 1.1974892827151558
Energy: 0.6297821557389026
Energy: 0.755196263677257
Energy: 0.6297821557389026
Energy: 1.1922446705396097
Energy: 0.630310248370774
Energy: 0.6284860949872251
Energy: 0.630310248369988
Energy: 1.3607371564310624
Energy: 0.6297510328927112
Energy: 0.630488649339553
Energy: 0.629751032894283
Energy: 1.4194390266687
Energy: 0.6301269432360872
Energy: 0.6284355070420246
Energy: 0.6301269432353012

minimum gb energy = 0.6281652629780646 eV
minimum distance =  2.29722885418995 Angstroms
sigma value = 15


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

Energy: 1.3404896352239748
Energy: 0.6307558137464838
Energy: 0.9559894266056219
Energy: 0.5859653750876966
Energy: 1.3886415425623229
Energy: 0.5810517141834879
Energy: 0.6860835884507376
Energy: 0.5810517141822169
Energy: 1.3046183958153712
Energy: 0.7050828354294038
Energy: 0.6842245167306887
Energy: 0.7050828976813144
Energy: 1.3424744709800664
Energy: 0.7073204683213853
Energy: 0.9088864094792998
Energy: 0.7073204683600024
Energy: 1.3080487002653602
Energy: 0.7071252273896385
Energy: 0.8909475710489101
Energy: 0.7071252273909097
Energy: 1.1461739296345959
Energy: 0.8678522822073111
Energy: 0.9230474842866603
Energy: 0.8678522822073111
Energy: 1.029166225929336
Energy: 0.9103311223494212
Energy: 1.0766279065029247
Energy: 0.9103311223487554
Energy: 1.1544721425577675
Energy: 0.911624568797741
Energy: 0.9116138470445809
Energy: 0.9116245688004043
Energy: 0.9967517388622398
Energy: 0.907109623985468
Energy: 1.0711329510208136
Energy: 0.9071096239867996
Energy: 0.9953245436891225
Energy: 0.9052718617824903
Energy: 1.2232541858611508
Energy: 0.9052718617831561
Energy: 0.8926099829899631
Energy: 0.8642348017315352
Energy: 1.1946269555596012
Energy: 0.8642348017308694
Energy: 0.7771950309257257
Energy: 0.8653320660187508
Energy: 1.2231977869353692
Energy: 0.8653320660194167
Energy: 0.8937144873482906
Energy: 0.705894770046769
Energy: 1.2243477305335233
Energy: 0.7058947700454375
Energy: 0.6802142347090799
Energy: 0.7071327279930872
Energy: 1.196025296252525
Energy: 0.7071327279930872
Energy: 0.679623220418585
Energy: 0.7062546355476594
Energy: 1.3781715205391531
Energy: 0.7062546355469935
Energy: 0.6970691208812051
Energy: 0.5819142515982082
Energy: 1.228369268735065
Energy: 0.5819142515982082
Energy: 0.5806047648278437
Energy: 0.5824963564241249
Energy: 1.2336312142542025
Energy: 0.5824963564234591
Energy: 0.5809318284110451
Energy: 0.5812396461225117
Energy: 1.386032846492533
Energy: 0.5812396461218459
Energy: 0.595781518656787
Energy: 0.5823710819701664
Energy: 1.1526953674342304
Energy: 0.5823710819701664
Energy: 0.7295122232937844
Energy: 0.5812415946637466
Energy: 1.309054072894377
Energy: 0.5812415946624151
Energy: 0.6764104277861305
Energy: 0.7043335738268511
Energy: 1.3079300815127328
Energy: 0.7043335738255195
Energy: 0.6778695767702567
Energy: 0.7056491421692268
Energy: 1.1539661420755547
Energy: 0.705649142168561
Energy: 0.9261903257242993
Energy: 0.7036294222358275
Energy: 1.1440752347228171
Energy: 0.7036294222930874
Energy: 0.9135143218057887
Energy: 0.8657675859579015
Energy: 1.2262666250445386
Energy: 0.8657675859579015
Energy: 0.9007043081894358
Energy: 0.8652355283505653
Energy: 1.0478796627152533
Energy: 0.8652355283505653
Energy: 1.0714314831087208
Energy: 0.9046749805044392
Energy: 1.2248561268538158
Energy: 0.9046749805051049
Energy: 0.9046395308331161
Energy: 0.9079269710813269
Energy: 1.07195897220736
Energy: 0.9079269710806611
Energy: 1.080354859195155
Energy: 0.9132995530147816
Energy: 1.0486057621481502
Energy: 0.913299553016779
Energy: 1.0753139891343326
Energy: 0.9085874123278468
Energy: 1.073434627102222
Energy: 0.9085874123271809
Energy: 1.071624410915427
Energy: 0.8701354606579265
Energy: 0.8927870050066934
Energy: 0.8701354606572606
Energy: 1.2334723233477882
Energy: 0.7059752153826107
Energy: 0.7775988846163142
Energy: 0.7059752153819449
Energy: 1.1973174243143296
Energy: 0.7047125551279371
Energy: 0.9023047667199596
Energy: 0.7047125551279371
Energy: 1.22553750210711
Energy: 0.7057139720446014
Energy: 0.6868223278859152
Energy: 0.7057139720479305
Energy: 1.3103142134855532
Energy: 0.5806042111717583
Energy: 0.6848304163481246
Energy: 0.5806042111704267
Energy: 1.4950408206780306
Energy: 0.5821973854441845
Energy: 0.6284334679569056
Energy: 0.5821973854428529
Energy: 1.3799210727221998
Energy: 0.581659298163401
Energy: 0.5867054315577265
Energy: 0.5816592981640668
Energy: 1.3022908036796248
Energy: 0.5814566709927694
Energy: 0.5887939538622675
Energy: 0.581456670994101

minimum gb energy = 0.5806042111704267 eV
minimum distance =  2.29568060957882 Angstroms
sigma value = 85


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

Energy: 1.4332662705786618
Energy: 0.5985332973458437
Energy: 0.6105583802028486
Energy: 0.5257811065252267
Energy: 1.378113236385539
Energy: 0.5265615861868463
Energy: 0.6091434728382722
Energy: 0.5265615861874238
Energy: 1.1673264669178085
Energy: 0.6360330197599894
Energy: 0.6087387809583491
Energy: 0.6360330197599894
Energy: 1.176079301938727
Energy: 0.636168080217095
Energy: 0.8007517103375713
Energy: 0.636168080217095
Energy: 1.2401408523217434
Energy: 0.6350907821594736
Energy: 0.8088362496626599
Energy: 0.635090782160051
Energy: 1.0258882997680616
Energy: 0.7721353890558746
Energy: 0.7984240308940287
Energy: 0.7721353890564522
Energy: 1.0249910901374064
Energy: 0.7890470656214874
Energy: 0.960297913603811
Energy: 0.7890470656214874
Energy: 1.1000889061307269
Energy: 0.8241185330321988
Energy: 0.8095581036485902
Energy: 0.8241185330321988
Energy: 1.0259052379477223
Energy: 0.8262069017704325
Energy: 0.9624398196467169
Energy: 0.8262069017704325
Energy: 1.0295014949698063
Energy: 0.8354741170560682
Energy: 1.0984149560306717
Energy: 0.8354741170566456
Energy: 0.9604841101646083
Energy: 0.8248664362119824
Energy: 1.0499763830934006
Energy: 0.8248664362114048
Energy: 0.9206683495846121
Energy: 0.8241107638205446
Energy: 1.0995623030541584
Energy: 0.8241107638205446
Energy: 0.9600124502679004
Energy: 0.7889128994336788
Energy: 1.0970861415749245
Energy: 0.7889128994331014
Energy: 0.7975781762571009
Energy: 0.7899220095794831
Energy: 1.0522132095499173
Energy: 0.7899220095794831
Energy: 0.6916754023842608
Energy: 0.7766664436544702
Energy: 1.241330569273899
Energy: 0.7766664436544702
Energy: 0.7973071881785656
Energy: 0.6357627880385015
Energy: 1.0984352358265668
Energy: 0.6357627880379241
Energy: 0.6115018631814374
Energy: 0.636240579174567
Energy: 1.0960733926617838
Energy: 0.6362405791751444
Energy: 0.6089914252621572
Energy: 0.6354809332859551
Energy: 1.3821052493900388
Energy: 0.6354809332888423
Energy: 0.6177072986893315
Energy: 0.52762781203115
Energy: 1.2369734874996545
Energy: 0.5276278120299951
Energy: 0.5264265554205869
Energy: 0.5282891946118887
Energy: 1.2366549371819344
Energy: 0.5282891946113113
Energy: 0.5275543749085033
Energy: 0.5265672402073132
Energy: 1.3819876078447868
Energy: 0.5265672402073132
Energy: 0.526876725686143
Energy: 0.5278974314226854
Energy: 1.1661194344686214
Energy: 0.527897431422108
Energy: 0.6130502536541101
Energy: 0.5271195595686597
Energy: 1.3062107423395468
Energy: 0.5271195595686597
Energy: 0.6120316887914926
Energy: 0.6356283853928042
Energy: 1.314401576686359
Energy: 0.6356283853928042
Energy: 0.6113354794722622
Energy: 0.6374646421120748
Energy: 1.1739205220879616
Energy: 0.6374646421126522
Energy: 0.7985584705068516
Energy: 0.6366353392648316
Energy: 1.310886380726893
Energy: 0.6366353392648316
Energy: 0.8092727543587805
Energy: 0.776588231448365
Energy: 1.1674318522010352
Energy: 0.7765882314472101
Energy: 0.9656985647069429
Energy: 0.7774095475964936
Energy: 1.1751156969558454
Energy: 0.7774095475964936
Energy: 0.9643253600246391
Energy: 0.7896989932407004
Energy: 1.1796771685985088
Energy: 0.7896989932412779
Energy: 0.9606951993446012
Energy: 0.8251661450793223
Energy: 1.025919589869056
Energy: 0.8251661450798997
Energy: 1.097594138361629
Energy: 0.8359119846429178
Energy: 0.9291500231241372
Energy: 0.8359119846429178
Energy: 1.053772616767253
Energy: 0.836171887456925
Energy: 1.0450748371614287
Energy: 0.836171887456925
Energy: 1.0983553238869628
Energy: 0.8278044192435803
Energy: 0.9173611926004047
Energy: 0.8278044192430029
Energy: 1.239329638274034
Energy: 0.7891732895855681
Energy: 0.9176721185013015
Energy: 0.7891732895855681
Energy: 1.04931858591186
Energy: 0.7773462042567186
Energy: 0.9218414354784513
Energy: 0.777346204258451
Energy: 1.2397984945970648
Energy: 0.7765873601172089
Energy: 0.7968840172425546
Energy: 0.7765873601172089
Energy: 1.2391077248681062
Energy: 0.6357287704823558
Energy: 0.7985791634995155
Energy: 0.6357287704829332
Energy: 1.3053165664690405
Energy: 0.6370429155820124
Energy: 0.6095792051812379
Energy: 0.6370429155820124
Energy: 1.3772614340456446
Energy: 0.6351028161733921
Energy: 0.6109937133056369
Energy: 0.6351028161733921
Energy: 1.2368800132701803
Energy: 0.5270385033250379
Energy: 0.6096700656180696
Energy: 0.5270385033250379
Energy: 1.0951879110591234
Energy: 0.5290398951898435
Energy: 0.5265767541095868
Energy: 0.529039895189266
Energy: 1.384443115573655
Energy: 0.5264764618975477
Energy: 0.5269581055641235
Energy: 0.5264764618969702
Energy: 1.165314623102569
Energy: 0.5270656330983372
Energy: 0.5266728381028064
Energy: 0.5270656330977598

minimum gb energy = 0.5257811065252267 eV
minimum distance =  2.30505621169349 Angstroms
sigma value = 113


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

Energy: 0.015462999951178958
Energy: 0.016192916097187454
Energy: 1.0279213950995119
Energy: 0.4890181261114733
Energy: 0.01700931638448965
Energy: 0.09815000718317875
Energy: 0.637161829404862
Energy: 0.09815000718359802
Energy: 0.016082657147576205
Energy: 0.09620302171013802
Energy: 0.6362372319568007
Energy: 0.09620302171013802
Energy: 0.017634537759231215
Energy: 0.09599525701156242
Energy: 0.6351277037707713
Energy: 0.09599525701156242
Energy: 0.637766035799284
Energy: 0.09621406273369824
Energy: 0.6389704939990838
Energy: 0.09621406273283506
Energy: 0.016228735075878537
Energy: 0.09596004745728436
Energy: 0.6365064933789565
Energy: 0.09596004745728436

minimum gb energy = 0.015462999951178958 eV
minimum distance =  2.52320050116872 Angstroms
sigma value = 1