Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650807976723
cohesive_energy=3.3602642809003944
mass=26.981538
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=[2.06278639450866e-19, 2.6499200438043e-19, 3.0794475776133597e-19, 3.4213040060099395e-19, 3.70496937905964e-19, 3.9460328754112796e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.010353198203683397
Energy: 0.05010199354202732
Energy: 0.49404179720082675
Energy: 0.010813219969879672
Energy: 0.05010199354202732
Energy: 0.48570797610001454
Energy: 0.010813219970380712
Energy: 0.4857079761005155
Energy: 0.49404179720132785
Energy: 0.010813219970380712
Energy: 0.010353198203683397
Energy: 0.05010199354202732
Energy: 0.010813219970380712
Energy: 0.48570797610001454
Energy: 0.05010199354202732
Energy: 0.4857079761005155

minimum gb energy = 0.010353198203683397 eV
minimum distance =  2.73407088670612 Angstroms
sigma value = 1


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

Energy: 0.5762655711045094
Energy: 0.568007047618784
Energy: 0.569443909088506
Energy: 0.52472704944428
Energy: 0.5298998678271853
Energy: 0.5580686866996395
Energy: 0.5304468148627418
Energy: 0.5580686866996395
Energy: 0.5684501753420784
Energy: 0.5682834239096882
Energy: 0.5301274176105986
Energy: 0.5682834239102958
Energy: 0.5301093409977428
Energy: 0.550319154310081
Energy: 0.5307485480057598
Energy: 0.550319154310081
Energy: 0.5399080664740779
Energy: 0.5494598343178013
Energy: 0.531587372548165
Energy: 0.5494598343178013
Energy: 0.5302853419170005
Energy: 0.5640152196938778
Energy: 0.5317140922095072
Energy: 0.5640152196944854
Energy: 0.5431432165673534
Energy: 0.5658112776761959
Energy: 0.5407475727152163
Energy: 0.5658112776761959
Energy: 0.5435991363000295
Energy: 0.5643340187982071
Energy: 0.545105522440358
Energy: 0.5643340187975995
Energy: 0.5440957825216114
Energy: 0.5525585606566226
Energy: 0.54501138559275
Energy: 0.5525585606566226
Energy: 0.558239782181973
Energy: 0.5530427929653245
Energy: 0.545013434122187
Energy: 0.5530427929647169
Energy: 0.5430475759003441
Energy: 0.5525487696186575
Energy: 0.5457071996576123
Energy: 0.5525487696186575
Energy: 0.5434967493041798
Energy: 0.5528238166975865
Energy: 0.5623849139650818
Energy: 0.552823816698194
Energy: 0.5454568870546825
Energy: 0.5647226058572317
Energy: 0.5354396900680605
Energy: 0.5647226058572317
Energy: 0.5305275988897387
Energy: 0.563315816218335
Energy: 0.5474824651378786
Energy: 0.563315816218335
Energy: 0.5349082464926758
Energy: 0.5497879044194612
Energy: 0.5451152443934049
Energy: 0.549787904420069
Energy: 0.5237823151707816
Energy: 0.5505826937107905
Energy: 0.5302002497284977
Energy: 0.5505826937113982
Energy: 0.5687230491819043
Energy: 0.531147686718663
Energy: 0.524626869361353
Energy: 0.5311476867192706
Energy: 0.5309922446132581
Energy: 0.5494365639231207
Energy: 0.5351977345127387
Energy: 0.5494365639237283
Energy: 0.5307793001101241
Energy: 0.5687254884419916
Energy: 0.5696188294322986
Energy: 0.5687254884425992
Energy: 0.529246674938417
Energy: 0.5496540010631072
Energy: 0.5299514457480773
Energy: 0.5496540010631072
Energy: 0.5325432522433403
Energy: 0.5493548681748843
Energy: 0.5402771456234482
Energy: 0.5493548681748843
Energy: 0.5321047133416625
Energy: 0.5498998814162449
Energy: 0.5301633299779197
Energy: 0.5498998814168525
Energy: 0.541416094621349
Energy: 0.5650832535946514
Energy: 0.5425634728069427
Energy: 0.5650832535946514
Energy: 0.5470902310980251
Energy: 0.5492505477419727
Energy: 0.5416400903148608
Energy: 0.549250547741365
Energy: 0.5511941195530948
Energy: 0.5533430236033766
Energy: 0.5444129423826579
Energy: 0.5533430236039842
Energy: 0.5455587393871502
Energy: 0.5535223455806291
Energy: 0.5594715950117243
Energy: 0.5535223455812368
Energy: 0.5456674109557328
Energy: 0.5532984073152681
Energy: 0.5431981351482599
Energy: 0.5532984073152681
Energy: 0.5611944559849565
Energy: 0.5517706292843853
Energy: 0.5405274203192078
Energy: 0.5517706292843853
Energy: 0.536130195743602
Energy: 0.5646931547012866
Energy: 0.5411767156317856
Energy: 0.5646931547018942
Energy: 0.5464036874339996
Energy: 0.5635255521827989
Energy: 0.5359343756795952
Energy: 0.5635255521827989
Energy: 0.533154519839295
Energy: 0.5507391049709439
Energy: 0.5350484154616729
Energy: 0.5507391049715517
Energy: 0.5308325828116852
Energy: 0.5502428122230862
Energy: 0.5235274625318521
Energy: 0.5502428122230862
Energy: 0.524544414612261
Energy: 0.5308461957422286
Energy: 0.5306280394754455
Energy: 0.530846195741621

minimum gb energy = 0.5235274625318521 eV
minimum distance =  2.5334752998231 Angstroms
sigma value = 1


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

Energy: 0.6103231775745417
Energy: 0.5951735348282853
Energy: 0.5950539909913336
Energy: 0.5469611045153979
Energy: 0.5534783084575088
Energy: 0.5825598976978131
Energy: 0.5535333178616071
Energy: 0.582559897698506
Energy: 0.5957819882361319
Energy: 0.5953401897267367
Energy: 0.5531074848971529
Energy: 0.5953401897267367
Energy: 0.5523611321909676
Energy: 0.5744360749588133
Energy: 0.5536736892680901
Energy: 0.5744360749595063
Energy: 0.5538974482436603
Energy: 0.5747037611773766
Energy: 0.5539456692646657
Energy: 0.5747037611780694
Energy: 0.5529413829675132
Energy: 0.5929474401756611
Energy: 0.5552297837498464
Energy: 0.5929474401770467
Energy: 0.5665954692327692
Energy: 0.5937939313314934
Energy: 0.5660788261698031
Energy: 0.5937939313301077
Energy: 0.5678642541811658
Energy: 0.5884001189757221
Energy: 0.5692850927442786
Energy: 0.588400118976415
Energy: 0.5662637932508091
Energy: 0.5836967968557338
Energy: 0.5693432221039264
Energy: 0.5836967968543482
Energy: 0.5676210120738727
Energy: 0.5859820574905666
Energy: 0.5673348044374853
Energy: 0.5859820574905666
Energy: 0.5598219751084176
Energy: 0.5935825360773997
Energy: 0.566212381562886
Energy: 0.5935825360773997
Energy: 0.5740149707109924
Energy: 0.5926825895101315
Energy: 0.5534392032319773
Energy: 0.5926825895108245
Energy: 0.5551248652707952
Energy: 0.5746743603308712
Energy: 0.5590605726333362
Energy: 0.574674360331564
Energy: 0.5538569017891367
Energy: 0.5744954564500941
Energy: 0.5451656871221244
Energy: 0.5744954564500941
Energy: 0.5448499417543468
Energy: 0.5530097293512775
Energy: 0.5944355820637379
Energy: 0.5530097293526631
Energy: 0.5597045618768575
Energy: 0.5745509997424161
Energy: 0.5535838952310037
Energy: 0.5745509997438019
Energy: 0.5971920323473469
Energy: 0.5950157465470591
Energy: 0.5538215152322056
Energy: 0.5950157465470591
Energy: 0.5528645782178108
Energy: 0.553335498816506
Energy: 0.5520237533195224
Energy: 0.5533354988151203
Energy: 0.5540769074095081
Energy: 0.5752994571559197
Energy: 0.5537519470939057
Energy: 0.575299457154534
Energy: 0.5532184645044913
Energy: 0.5745411802009515
Energy: 0.555936228399868
Energy: 0.5745411801995658
Energy: 0.567859407575805
Energy: 0.5943479126153755
Energy: 0.565987589170199
Energy: 0.5943479126146824
Energy: 0.5670178395892943
Energy: 0.5924760970388488
Energy: 0.5676159998973517
Energy: 0.5924760970388488
Energy: 0.56628504975804
Energy: 0.5841720300843325
Energy: 0.5691966614810162
Energy: 0.5841720300843325
Energy: 0.5670522934476344
Energy: 0.5839862372839623
Energy: 0.5685902868841467
Energy: 0.5839862372853479
Energy: 0.5597269097762047
Energy: 0.5938746467893865
Energy: 0.5668935641501645
Energy: 0.5938746467893865
Energy: 0.5615362507944389
Energy: 0.5926476761488912
Energy: 0.5539532237993375
Energy: 0.592647676149584
Energy: 0.5557707912851818
Energy: 0.5751050146046828
Energy: 0.559031721079546
Energy: 0.5751050146039899
Energy: 0.5544351447425759
Energy: 0.5750548036208636
Energy: 0.5450397464821927
Energy: 0.5750548036229421
Energy: 0.5453410809995292
Energy: 0.5535565789281136
Energy: 0.554227548222641
Energy: 0.5535565789260352

minimum gb energy = 0.5448499417543468 eV
minimum distance =  2.53639230408652 Angstroms
sigma value = 25


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

Energy: 0.6339233772640129
Energy: 0.6257990749734749
Energy: 0.624000184615894
Energy: 0.5699790874632427
Energy: 0.5791420840435685
Energy: 0.6082537057161183
Energy: 0.5786261689079156
Energy: 0.6082537057161183
Energy: 0.6238003162423017
Energy: 0.6242566839086245
Energy: 0.6246818749690976
Energy: 0.6242566839086245
Energy: 0.5770735867314949
Energy: 0.6031589217779482
Energy: 0.5787560388275267
Energy: 0.6031589217795589
Energy: 0.5783831915255411
Energy: 0.6027429280080043
Energy: 0.5789035690646483
Energy: 0.6027429280071989
Energy: 0.5773539221838132
Energy: 0.6333601007655754
Energy: 0.5804439089492471
Energy: 0.6333601007655754
Energy: 0.5886646816897155
Energy: 0.6262252975921191
Energy: 0.5870586519358646
Energy: 0.6262252975921191
Energy: 0.5879859938963005
Energy: 0.6105128553333887
Energy: 0.5732478665580095
Energy: 0.6105128553333887
Energy: 0.5882209237837646
Energy: 0.6261683136887684
Energy: 0.5857594485648518
Energy: 0.6261683136887684
Energy: 0.5771494711111024
Energy: 0.6258019648292931
Energy: 0.5792521900748713
Energy: 0.6258019648292931
Energy: 0.5666035952185151
Energy: 0.602735556702338
Energy: 0.5807774122099898
Energy: 0.602735556702338
Energy: 0.5664539368705188
Energy: 0.6027488415247979
Energy: 0.5785195188498414
Energy: 0.6027488415247979
Energy: 0.6234663227522192
Energy: 0.5767031309638114
Energy: 0.5669738373054392
Energy: 0.5767031309638114
Energy: 0.5788231046135924
Energy: 0.6032707428797592
Energy: 0.5858206306238668
Energy: 0.6032707428797592
Energy: 0.5773627496695856
Energy: 0.624051870875471
Energy: 0.6253558177012314
Energy: 0.624051870875471
Energy: 0.5758140312386616
Energy: 0.5773047500147754
Energy: 0.5769869910489521
Energy: 0.5773047500147754
Energy: 0.5786438208876398
Energy: 0.6028942580548787
Energy: 0.5783799850178406
Energy: 0.6028942580548787
Energy: 0.5796730686559605
Energy: 0.6026763659953122
Energy: 0.5775480700493528
Energy: 0.6026763659953122
Energy: 0.5874537296860768
Energy: 0.6275009951943477
Energy: 0.5768242209157871
Energy: 0.6275009951943477
Energy: 0.5734669235475626
Energy: 0.6256078896557984
Energy: 0.5892923368143922
Energy: 0.6256078896557984
Energy: 0.5856002195179382
Energy: 0.6274183378829089
Energy: 0.5880743963919266
Energy: 0.6274183378837143
Energy: 0.5854945626518882
Energy: 0.6263336651487241
Energy: 0.5787614201151465
Energy: 0.6263336651495295
Energy: 0.5807900777275502
Energy: 0.6031373871657845
Energy: 0.5665386385885998
Energy: 0.6031373871665899
Energy: 0.5789002077466298
Energy: 0.6031908180247911
Energy: 0.5665495896047946
Energy: 0.6031908180255967
Energy: 0.5667972883037786
Energy: 0.5766187775228786
Energy: 0.5766352477496739
Energy: 0.5766187775228786

minimum gb energy = 0.5664539368705188 eV
minimum distance =  2.54187492279289 Angstroms
sigma value = 9


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

Energy: 0.6863495192401543
Energy: 0.6659019128132854
Energy: 0.666200046232282
Energy: 0.6221448191610025
Energy: 0.6063755496983192
Energy: 0.6428198111942877
Energy: 0.6107481296690148
Energy: 0.6428198111942877
Energy: 0.6650146982543415
Energy: 0.6647010267076221
Energy: 0.6209848567919547
Energy: 0.6647010267076221
Energy: 0.602009234939141
Energy: 0.661442054477156
Energy: 0.6107852512200473
Energy: 0.661442054477156
Energy: 0.5986728242068409
Energy: 0.6449596396228675
Energy: 0.6111251195343105
Energy: 0.6449596396219067
Energy: 0.6021740396894943
Energy: 0.6869519348053282
Energy: 0.611969688123926
Energy: 0.6869519348053282
Energy: 0.6033234603717887
Energy: 0.6626492949087314
Energy: 0.6109270254633573
Energy: 0.6626492949087314
Energy: 0.6328242655538937
Energy: 0.6432139914790593
Energy: 0.6434268294041731
Energy: 0.6432139914800202
Energy: 0.6312478560216904
Energy: 0.685889295775618
Energy: 0.6163397236765659
Energy: 0.685889295775618
Energy: 0.5948663466611852
Energy: 0.6574385991147224
Energy: 0.6161456572388572
Energy: 0.6574385991147224
Energy: 0.5843401034524842
Energy: 0.5846012177887254
Energy: 0.5967986081832617
Energy: 0.5846012177887254
Energy: 0.5945807412355554
Energy: 0.5846320136036771
Energy: 0.5964029894493159
Energy: 0.584632013604638
Energy: 0.6922606300104787
Energy: 0.7096439146194442
Energy: 0.6209982251665668
Energy: 0.709643914620405
Energy: 0.6329948854590084
Energy: 0.6199981702138584
Energy: 0.6215562284232837
Energy: 0.6199981702138584
Energy: 0.5986777062406214
Energy: 0.6240685104666329
Energy: 0.6148131920788881
Energy: 0.6240685104675937
Energy: 0.607209415746345
Energy: 0.6208590651487672
Energy: 0.6102191638285362
Energy: 0.620859065149728
Energy: 0.6038570811543549
Energy: 0.6835943095170566
Energy: 0.6105013698488414
Energy: 0.6835943095170566
Energy: 0.6038038502890545
Energy: 0.6839127963143635
Energy: 0.6114322451408928
Energy: 0.6839127963134026
Energy: 0.6073612338571512
Energy: 0.6427675639551343
Energy: 0.6163378714663852
Energy: 0.6427675639551343
Energy: 0.6067280272261772
Energy: 0.6427892037696308
Energy: 0.6164072067721403
Energy: 0.6427892037696308
Energy: 0.6171703545430024
Energy: 0.6066360732028144
Energy: 0.6584073178771614
Energy: 0.6066360732028144

minimum gb energy = 0.5843401034524842 eV
minimum distance =  2.55655641700995 Angstroms
sigma value = 25


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

Energy: 0.7030065721945092
Energy: 0.6760609651879099
Energy: 0.6747275514688484
Energy: 0.5944149261905836
Energy: 0.6025492930544937
Energy: 0.6248004914804645
Energy: 0.6033542876744528
Energy: 0.6248004914804645
Energy: 0.6742859187994195
Energy: 0.6746693788603028
Energy: 0.5892974779815568
Energy: 0.674669378861491
Energy: 0.5916667284133446
Energy: 0.626177922782341
Energy: 0.6037801255605767
Energy: 0.6261779227811528
Energy: 0.6004229998085097
Energy: 0.6567381387905865
Energy: 0.6039625062007228
Energy: 0.6567381387905865
Energy: 0.5905738859598965
Energy: 0.6568477039716372
Energy: 0.6028830011852467
Energy: 0.6568477039716372
Energy: 0.5882434713389135
Energy: 0.656705360442708
Energy: 0.6032114914388546
Energy: 0.6567053604438962
Energy: 0.5882583574154204
Energy: 0.6560336570824642
Energy: 0.6034483178625358
Energy: 0.6560336570812759
Energy: 0.673838683207577
Energy: 0.5907856621984123
Energy: 0.5878930461204909
Energy: 0.5907856621984123
Energy: 0.6039505479472915
Energy: 0.5908100416449206
Energy: 0.5885412970322842
Energy: 0.5908100416461088
Energy: 0.5893283693684488
Energy: 0.6744339796456731
Energy: 0.677939463796053
Energy: 0.6744339796456731
Energy: 0.5917903268567327
Energy: 0.6259995965139725
Energy: 0.5904838092809495
Energy: 0.6259995965151607
Energy: 0.6026005755907909
Energy: 0.6565380718075106
Energy: 0.6003198401065619
Energy: 0.6565380718075106
Energy: 0.6033416312698197
Energy: 0.6559464415961128
Energy: 0.5915747090730266
Energy: 0.6559464415961128
Energy: 0.6022434483838472
Energy: 0.6558796452382106
Energy: 0.5882711271436993
Energy: 0.6558796452382106
Energy: 0.6026648392530154
Energy: 0.6572305392886406
Energy: 0.5889404633453484
Energy: 0.6572305392886406
Energy: 0.5909415440377164
Energy: 0.5905889605773967
Energy: 0.5920298632771674
Energy: 0.5905889605773967

minimum gb energy = 0.5878930461204909 eV
minimum distance =  2.62874060331782 Angstroms
sigma value = 17


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

Energy: 1.0042521620387566
Energy: 0.7387148521790002
Energy: 0.7390758455061972
Energy: 0.6928739898814563
Energy: 0.6212976867764437
Energy: 0.6332339369806154
Energy: 0.6381537333234577
Energy: 0.6332339369806154
Energy: 0.6470831245350116
Energy: 0.6460045628035248
Energy: 0.6743622234222546
Energy: 0.6460045628035248
Energy: 0.6376496917938849
Energy: 0.657672605167384
Energy: 0.6375637107412657
Energy: 0.6576726051667111
Energy: 0.6371101270278777
Energy: 0.6861244488396265
Energy: 0.5991167215281509
Energy: 0.6861244488396265
Energy: 0.6384862515431259
Energy: 0.6851360422923644
Energy: 0.6371479778025051
Energy: 0.6851360422916912
Energy: 0.6740191466795993
Energy: 0.6368429285236854
Energy: 0.6473648640363977
Energy: 0.6368429285230124
Energy: 0.6793352967822084
Energy: 0.637461387221286
Energy: 0.6181552108636482
Energy: 0.6374613872206132
Energy: 0.6967137887399971
Energy: 0.7384389914720079
Energy: 0.674234493921492
Energy: 0.7384389914720079
Energy: 0.6884308422437816
Energy: 0.6686928996741844
Energy: 0.6385335945212641
Energy: 0.6686928996741844
Energy: 0.6372738507505764
Energy: 0.6310628344623279
Energy: 0.6084732904059226
Energy: 0.6310628344630009
Energy: 0.6765827563751684
Energy: 0.6293953274077504
Energy: 0.6176124680613323
Energy: 0.6293953274077504
Energy: 0.6744093544496721
Energy: 0.6297239764509639
Energy: 0.6293212334636646
Energy: 0.6297239764509639
Energy: 0.6757148562788183
Energy: 0.6298246798937203
Energy: 0.6090846860837537
Energy: 0.6298246798930474
Energy: 0.6899791460529742
Energy: 0.6745462339501924
Energy: 0.6733207379423751
Energy: 0.6745462339501924
Energy: 0.6395148996022354
Energy: 0.6752967503484212
Energy: 0.6732365026412902
Energy: 0.6752967503484212
Energy: 0.6744357818840532
Energy: 0.6378933716894433
Energy: 0.6090246064163318
Energy: 0.6378933716901163
Energy: 0.6743883913973843
Energy: 0.6379576719213123
Energy: 0.6459813442653782
Energy: 0.6379576719219852
Energy: 0.6396622401133404
Energy: 0.6865326855078845
Energy: 0.6377822022833801
Energy: 0.6865326855078845
Energy: 0.6574143513260641
Energy: 0.6859942180294689
Energy: 0.637322559348594
Energy: 0.6859942180294689
Energy: 0.6409772171767992
Energy: 0.6789594575229162
Energy: 0.6753248782879737
Energy: 0.6789594575229162
Energy: 0.6461629190934682
Energy: 0.645883630874848
Energy: 0.6734077746718858
Energy: 0.645883630875521
Energy: 0.638349829858707
Energy: 0.666741654032474
Energy: 0.6511389192292031
Energy: 0.6667416540331469
Energy: 0.6741191882311559
Energy: 0.7381708544779436
Energy: 0.7378293459010179
Energy: 0.7381708544779436
Energy: 0.619304220129016
Energy: 0.6294948598969706
Energy: 0.6756523247711329
Energy: 0.6294948598956248
Energy: 0.6179880127059708
Energy: 0.6296824627804691
Energy: 0.636510864221491
Energy: 0.6296824627797962
Energy: 0.6092142198527537
Energy: 0.6099250794827081
Energy: 0.6750088034266998
Energy: 0.6099250794827081
Energy: 0.6115377771993932
Energy: 0.6298933555898317
Energy: 0.6736432855259773
Energy: 0.6298933555898317
Energy: 0.6208520342901248
Energy: 0.6296120006577197
Energy: 0.6740950431418896
Energy: 0.6296120006583926
Energy: 0.6731898364618252
Energy: 0.7381278840278419
Energy: 0.738818154396479
Energy: 0.7381278840285149

minimum gb energy = 0.5991167215281509 eV
minimum distance =  2.55788165720031 Angstroms
sigma value = 53


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

Energy: 0.886103847116195
Energy: 0.6651140623649402
Energy: 0.6661356576243775
Energy: 0.5624663737072855
Energy: 0.6883730672028247
Energy: 0.5854322326354447
Energy: 0.6893474627949552
Energy: 0.5854322326354447
Energy: 0.6652547064202213
Energy: 0.6653171229288415
Energy: 0.7183092102118517
Energy: 0.6653171229288415
Energy: 0.6881767873346322
Energy: 0.5862959253654515
Energy: 0.6874579620797415
Energy: 0.5862959253654515
Energy: 0.6983974123803238
Energy: 0.5855716620496358
Energy: 0.5527423228226636
Energy: 0.5855716620496358
Energy: 0.6870847177869162
Energy: 0.5867504917319688
Energy: 0.5530318778695354
Energy: 0.5867504917319688
Energy: 0.8163842749940202
Energy: 0.6647488406181193
Energy: 0.6639937155939493
Energy: 0.6647488406181193
Energy: 0.8167391624460053
Energy: 0.586630920557809
Energy: 0.687085328492552
Energy: 0.586630920557809
Energy: 0.6655059832124842
Energy: 0.6654725145732275
Energy: 0.7178470215878158
Energy: 0.6654725145732275
Energy: 0.6871990866806504
Energy: 0.5859994568473794
Energy: 0.6871753605505404
Energy: 0.5859994568473794
Energy: 0.6983517334176986
Energy: 0.5866298750934449
Energy: 0.553073063506848
Energy: 0.5866298750934449
Energy: 0.6895761436894561
Energy: 0.5860131557248922
Energy: 0.5550878964477235
Energy: 0.5860131557248922
Energy: 0.8168119735569018
Energy: 0.5866612232116509
Energy: 0.6868162863710672
Energy: 0.5866612232116509

minimum gb energy = 0.5527423228226636 eV
minimum distance =  2.61393598805236 Angstroms
sigma value = 9


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

Energy: 0.8471119231394648
Energy: 0.7658636112768863
Energy: 0.7664903710737908
Energy: 0.7283551928446778
Energy: 0.6228129174367213
Energy: 0.6218059139997769
Energy: 0.7420268816361343
Energy: 0.6218059139992036
Energy: 0.6289303103558886
Energy: 0.6336731347868336
Energy: 0.7851676137712569
Energy: 0.6336731347868336
Energy: 0.6260064055308273
Energy: 0.6220301634819018
Energy: 0.7724221236584732
Energy: 0.6220301634819018
Energy: 0.6267705020631056
Energy: 0.6219950573258974
Energy: 0.7229562987691632
Energy: 0.6219950573258974
Energy: 0.6499712949566769
Energy: 0.6217508512929135
Energy: 0.7217993436193741
Energy: 0.6217508512929135
Energy: 0.8619359052381425
Energy: 0.7702326482403677
Energy: 0.7687030920436908
Energy: 0.7702326482403677
Energy: 0.7758838111652596
Energy: 0.6908459000268327
Energy: 0.7641986975066704
Energy: 0.6908459000268327
Energy: 0.6634439459126625
Energy: 0.7541664457807443
Energy: 0.6687640514671331
Energy: 0.7541664457813178
Energy: 0.6138483018565907
Energy: 0.6688866715089844
Energy: 0.6899325771726756
Energy: 0.6688866715089844
Energy: 0.6664148435819255
Energy: 0.6762280596454422
Energy: 0.7554357811885303
Energy: 0.6762280596460156
Energy: 0.6791237407789023
Energy: 0.6782202084808828
Energy: 0.8488150734335117
Energy: 0.6782202084808828
Energy: 0.7636626850382697
Energy: 0.6862970154550508
Energy: 0.6739701697850603
Energy: 0.6862970154556242
Energy: 0.7551966288300437
Energy: 0.669619109078078
Energy: 0.6817040121467411
Energy: 0.6696191090775047
Energy: 0.7652374482253407
Energy: 0.6758628623405559
Energy: 0.6323808452296904
Energy: 0.6758628623405559
Energy: 0.7228313055132225
Energy: 0.6763072448035601
Energy: 0.6330588663574149
Energy: 0.6763072448029867
Energy: 0.6902137683163522
Energy: 0.675699879857146
Energy: 0.6712739586557617
Energy: 0.675699879857146
Energy: 0.7657901255298069
Energy: 0.7659357793317839
Energy: 0.8474480021232924
Energy: 0.7659357793312106
Energy: 0.7566032811399566
Energy: 0.6222440411337327
Energy: 0.6609571341314313
Energy: 0.6222440411343061
Energy: 0.7848861635643023
Energy: 0.637051396224339
Energy: 0.6213766879192141
Energy: 0.6370513962237657
Energy: 0.7723037830341788
Energy: 0.6227397691023334
Energy: 0.6241680282977067
Energy: 0.6227397691023334
Energy: 0.7221093039868615
Energy: 0.6218293775599684
Energy: 0.6253621941995889
Energy: 0.6218293775599684
Energy: 0.7225695515404169
Energy: 0.6218863521545039
Energy: 0.6486625988638238
Energy: 0.6218863521447563
Energy: 0.7662118491289713
Energy: 0.6616177273581114
Energy: 0.7879100797172498
Energy: 0.6616177273592582
Energy: 0.7647452196920498
Energy: 0.6918068862102672
Energy: 0.734283695788441
Energy: 0.6918068862102672
Energy: 0.6699293684076384
Energy: 0.6882719997942314
Energy: 0.665929323758208
Energy: 0.6882719997948047
Energy: 0.6892045642268175
Energy: 0.6687384652244669
Energy: 0.6134112757023087
Energy: 0.6687384652244669
Energy: 0.7275941352322488
Energy: 0.6834562966167115
Energy: 0.665701206639762
Energy: 0.683456296616138
Energy: 0.8476928699263341
Energy: 0.6796450719224236
Energy: 0.6911680099187585
Energy: 0.6796450719207034
Energy: 0.6919269457128907
Energy: 0.6861694501210457
Energy: 0.7759132356580241
Energy: 0.6861694501210457
Energy: 0.6826622861804686
Energy: 0.6788657278320613
Energy: 0.7866969921220135
Energy: 0.6788657278326348
Energy: 0.6384005472658856
Energy: 0.685529681457128
Energy: 0.7668713709348959
Energy: 0.6855296814577015
Energy: 0.632185466794755
Energy: 0.6764571437844475
Energy: 0.7235026298119256
Energy: 0.6764571437844475
Energy: 0.6700614830232312
Energy: 0.6758380535931064
Energy: 0.6470284542611234
Energy: 0.6758380535936799
Energy: 0.8482143230308473
Energy: 0.7656592054045864
Energy: 0.7656677320946075
Energy: 0.7656592054051597

minimum gb energy = 0.6134112757023087 eV
minimum distance =  2.53790864077427 Angstroms
sigma value = 73


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

Energy: 0.8880018302181235
Energy: 0.7201064083121886
Energy: 0.7216113718057576
Energy: 0.6683889063148484
Energy: 0.6349843833393405
Energy: 0.6360588480602748
Energy: 0.6707244094565282
Energy: 0.6360588480602748
Energy: 0.6313959344674396
Energy: 0.6336130773092336
Energy: 0.7490873894092355
Energy: 0.6336130773092336
Energy: 0.6309950832194897
Energy: 0.6311599245006831
Energy: 0.6788598378113231
Energy: 0.6311599245006831
Energy: 0.6402885212485874
Energy: 0.6374268505769345
Energy: 0.7655448266722619
Energy: 0.6374268505769345
Energy: 0.6539821391501797
Energy: 0.6381942155460636
Energy: 0.7684512356821412
Energy: 0.6381942155460636
Energy: 0.6693167770497006
Energy: 0.7720372733826437
Energy: 0.7610822470032171
Energy: 0.7720372733826437
Energy: 0.6783889890858311
Energy: 0.6904470397699352
Energy: 0.6143178471801198
Energy: 0.6904470397699352
Energy: 0.6570718476249027
Energy: 0.7415470497502945
Energy: 0.7530901766621916
Energy: 0.7415470497502945
Energy: 0.6601314323811316
Energy: 0.6960669736692573
Energy: 0.6308626027875069
Energy: 0.6960669736692573
Energy: 0.6784507860048592
Energy: 0.6350634784184815
Energy: 0.6139293641787922
Energy: 0.6350634784184815
Energy: 0.6595028865711674
Energy: 0.6204160061726531
Energy: 0.7926070692130399
Energy: 0.6204160061726531
Energy: 0.7122713902362162
Energy: 0.6639560642730195
Energy: 0.6340399282998239
Energy: 0.6639560642730195
Energy: 0.751528971398472
Energy: 0.6862868599216172
Energy: 0.669075175753849
Energy: 0.6862868599216172
Energy: 0.6670987883189882
Energy: 0.676599082122083
Energy: 0.6306308748076972
Energy: 0.6765990821229927
Energy: 0.7655896658385439
Energy: 0.6715744049558355
Energy: 0.6723155049179093
Energy: 0.6715744049558355
Energy: 0.6703555620958773
Energy: 0.6731053679101315
Energy: 0.6826573439277763
Energy: 0.6731053679101315
Energy: 0.7413856459273636
Energy: 0.7328996204788109
Energy: 0.7791592346829516
Energy: 0.7328996204788109
Energy: 0.634255037486045
Energy: 0.6674602009884304
Energy: 0.6737082317363812
Energy: 0.6674602009884304
Energy: 0.7140701233158688
Energy: 0.6647324954811561
Energy: 0.6685120792642002
Energy: 0.6647324954802464
Energy: 0.634292347161955
Energy: 0.6888971339887204
Energy: 0.6618155080890511
Energy: 0.6888971339896303
Energy: 0.8260959017025167
Energy: 0.6651002657744899
Energy: 0.7360151069157748
Energy: 0.6651002657753997

minimum gb energy = 0.6139293641787922 eV
minimum distance =  2.53560173701191 Angstroms
sigma value = 7


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

Energy: 1.0222644635123237
Energy: 0.720643680204126
Energy: 0.7203517310236989
Energy: 0.6315607617434273
Energy: 0.6268921421797712
Energy: 0.6251395190174163
Energy: 0.625372185347106
Energy: 0.6251395190174163
Energy: 0.6256273993306302
Energy: 0.6260998421092331
Energy: 0.6904430639727981
Energy: 0.6260998421079466
Energy: 0.6255535361063456
Energy: 0.6256154887305612
Energy: 0.6248647240046709
Energy: 0.6256154887299178
Energy: 0.6285086769050916
Energy: 0.6343253400594576
Energy: 0.7543000331378943
Energy: 0.6343253400607443
Energy: 0.6280868368758874
Energy: 0.6269253853584834
Energy: 0.7555645304060525
Energy: 0.6269253853610566
Energy: 0.7690538716789679
Energy: 0.6258126932868442
Energy: 0.6254185132316357
Energy: 0.6258126932881307
Energy: 0.6237506536445456
Energy: 0.6272231522934307
Energy: 0.6527940121742811
Energy: 0.6272231522940741
Energy: 0.625475413623241
Energy: 0.6257113213870212
Energy: 0.6297282123814321
Energy: 0.625711321386378
Energy: 0.750165156206948
Energy: 0.6460676934916729
Energy: 0.629745972327507
Energy: 0.6460676934910297
Energy: 0.6252307053598904
Energy: 0.6588500693024106
Energy: 0.6238997836536195
Energy: 0.658850069301124
Energy: 0.722323925950915
Energy: 0.7050377225833366
Energy: 0.7682207645081628
Energy: 0.7050377225846232
Energy: 0.696726700154433
Energy: 0.656309211867597
Energy: 0.6314028206415588
Energy: 0.6563092118669537
Energy: 0.6947692080867811
Energy: 0.6564276695047138
Energy: 0.6314289069972572
Energy: 0.6564276695047138
Energy: 0.635018274710289
Energy: 0.6564526730139038
Energy: 0.6351681133094347
Energy: 0.656452673011974
Energy: 0.7859688150574793
Energy: 0.7047874436381792
Energy: 0.722144364019182
Energy: 0.7047874436381792
Energy: 0.6700691017572611
Energy: 0.6590425898184926
Energy: 0.7056448765966618
Energy: 0.6590425898197793
Energy: 0.6300433903938849
Energy: 0.6986423461877745
Energy: 0.6896760027199698
Energy: 0.6986423461884177
Energy: 0.6294632362305318
Energy: 0.6257667748695771
Energy: 0.6470357580863431
Energy: 0.6257667748695771
Energy: 0.6533700646368258
Energy: 0.6268513217921767
Energy: 0.6313860148620648
Energy: 0.6268513217928199
Energy: 0.6254666948851871
Energy: 0.6261485239555133
Energy: 0.752522262287069
Energy: 0.6261485239555133
Energy: 0.7726435784844237
Energy: 0.6330987728760415
Energy: 0.6298125616503822
Energy: 0.6330987728772988
Energy: 0.7717358563326773
Energy: 0.6342999593193469
Energy: 0.6276639178998084
Energy: 0.6342999593180604
Energy: 0.6249670728754532
Energy: 0.6249006037919784
Energy: 0.625572567836905
Energy: 0.624900603793265
Energy: 0.7509884591187957
Energy: 0.626229480416038
Energy: 0.6261734277990888
Energy: 0.6262294804147515
Energy: 0.6907443632916337
Energy: 0.6259518241044897
Energy: 0.6269824147612162
Energy: 0.6259518241044897
Energy: 0.7203998341673246
Energy: 0.7204348571388625
Energy: 0.8850117155375561
Energy: 0.7204348571395057
Energy: 0.6281243373844071
Energy: 0.6572261010993581
Energy: 0.627391159983866
Energy: 0.6572261010974283
Energy: 0.6910281208019182
Energy: 0.6573652550910619
Energy: 0.6263316468444228
Energy: 0.6573652550910619
Energy: 0.6273648260409788
Energy: 0.6317412719102875
Energy: 0.6308888566987674
Energy: 0.6317412719102875
Energy: 0.7867354625979717
Energy: 0.6566621674696926
Energy: 0.7268470325000641
Energy: 0.6566621674716224

minimum gb energy = 0.6237506536445456 eV
minimum distance =  2.53894660300601 Angstroms
sigma value = 29


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

Energy: 0.5605679344686628
Energy: 0.6910870421174363
Energy: 0.6636385693771896
Energy: 0.5608955151942889
Energy: 0.7013527766141283
Energy: 0.6184977768025902
Energy: 0.5698376941075814
Energy: 0.6184977768025902
Energy: 0.6650761310810648
Energy: 0.5972071988117323
Energy: 0.5664759886541972
Energy: 0.5972071988112843
Energy: 0.5607600685954566
Energy: 0.569416193305256
Energy: 0.5715588278991165
Energy: 0.569416193305256
Energy: 0.6633929623137714
Energy: 0.5695246060737074
Energy: 0.5606391922730403
Energy: 0.5695246060737074
Energy: 0.5704863960201257
Energy: 0.5954515874161034
Energy: 0.5606335768990788
Energy: 0.5954515874163274
Energy: 0.5661026323678523
Energy: 0.5975079887537763
Energy: 0.6647242291047214
Energy: 0.5975079887535523
Energy: 0.5693903322768907
Energy: 0.5698020398272726
Energy: 0.5609260807028301
Energy: 0.5698020398272726
Energy: 0.5608755784785915
Energy: 0.5697161231853163
Energy: 0.5704326805001078
Energy: 0.5697161231855403

minimum gb energy = 0.5605679344686628 eV
minimum distance =  2.5815076008328 Angstroms
sigma value = 5


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

Energy: 0.7750115862775351
Energy: 0.6957116176005046
Energy: 0.6972606461620671
Energy: 0.5830985083561663
Energy: 0.6283368608646661
Energy: 0.5839722788035703
Energy: 0.6428020982036255
Energy: 0.5839722788035703
Energy: 0.6431623534648019
Energy: 0.5879056131190621
Energy: 0.6854689734685057
Energy: 0.5879056131178468
Energy: 0.5907798259953911
Energy: 0.5838010534554715
Energy: 0.6556143500643451
Energy: 0.5838010534560792
Energy: 0.6171392912445646
Energy: 0.6085254344084101
Energy: 0.6895750369366653
Energy: 0.6085254344090177
Energy: 0.6086906386458243
Energy: 0.6083946986571696
Energy: 0.6900832767763446
Energy: 0.6083946986571696
Energy: 0.5845780488401606
Energy: 0.5848505133221292
Energy: 0.6553183025191203
Energy: 0.5848505133221292
Energy: 0.5840751021451218
Energy: 0.5843905695786638
Energy: 0.7775689357311278
Energy: 0.5843905695792715
Energy: 0.6140523387713334
Energy: 0.6678744473366436
Energy: 0.6649421599073911
Energy: 0.6678744473366436
Energy: 0.6822018747336406
Energy: 0.578843530894495
Energy: 0.5901919615091382
Energy: 0.5788435308938875
Energy: 0.6139468909330973
Energy: 0.5787365982467748
Energy: 0.5812527521451818
Energy: 0.5787365982467748
Energy: 0.7845257721440676
Energy: 0.578855908366885
Energy: 0.5787957423237837
Energy: 0.5788559083674928
Energy: 0.780100179749846
Energy: 0.6676765310253387
Energy: 0.5784856423597274
Energy: 0.6676765310253387
Energy: 0.6240335581736187
Energy: 0.6669622379677711
Energy: 0.6862565398484928
Energy: 0.6669622379677711
Energy: 0.586323021375532
Energy: 0.6053915215906092
Energy: 0.6903732097031897
Energy: 0.6053915215906092
Energy: 0.5884570250342553
Energy: 0.5845338188578862
Energy: 0.6282807546065805
Energy: 0.5845338188572785
Energy: 0.6964149657881331
Energy: 0.5848383245739316
Energy: 0.5923518549746655
Energy: 0.584838324573324
Energy: 0.643215357119294
Energy: 0.5838709624622059
Energy: 0.5896964599096702
Energy: 0.5838709624628136
Energy: 0.6833867379028755
Energy: 0.6187670618998398
Energy: 0.6420503863727235
Energy: 0.6187670619004475
Energy: 0.6563572168889402
Energy: 0.584382085377245
Energy: 0.5888161457253849
Energy: 0.5843820853778526
Energy: 0.6903038605551897
Energy: 0.6121664186014737
Energy: 0.6545287812364639
Energy: 0.6121664186014737
Energy: 0.6860811867916567
Energy: 0.5842909371104626
Energy: 0.6099255177175914
Energy: 0.5842909371110703
Energy: 0.6556611949399611
Energy: 0.5841133073736404
Energy: 0.5858776131286546
Energy: 0.5841133073736404
Energy: 0.780814366481451
Energy: 0.5843144171731077
Energy: 0.5843779285488517
Energy: 0.5843144171737152
Energy: 0.6652149156397799
Energy: 0.6674959875579348
Energy: 0.6140179011960931
Energy: 0.6674959875573272
Energy: 0.5913642358025075
Energy: 0.5793100946220793
Energy: 0.6820628134719392
Energy: 0.5793100946214716
Energy: 0.5937626749005752
Energy: 0.5786132446790266
Energy: 0.6140341973414359
Energy: 0.5786132446790266
Energy: 0.5794216149470958
Energy: 0.5810991575619301
Energy: 0.5903293398792012
Energy: 0.5810991575613224
Energy: 0.5785797204576227
Energy: 0.5783572588063064
Energy: 0.7769861455888074
Energy: 0.5783572588056988
Energy: 0.6909862892171034
Energy: 0.6668427730579434
Energy: 0.6144053706681073
Energy: 0.6668427730585511
Energy: 0.6912375050385265
Energy: 0.6038726074647499
Energy: 0.5866358845983772
Energy: 0.6038726074647499
Energy: 0.6289396621673067
Energy: 0.584284208338559
Energy: 0.5858888554121313
Energy: 0.584284208338559
Energy: 0.5909657821888723
Energy: 0.5841955112098169
Energy: 0.6960115116858886
Energy: 0.5841955112110323

minimum gb energy = 0.5783572588056988 eV
minimum distance =  2.53218362831282 Angstroms
sigma value = 1


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

Energy: 0.9081847538947979
Energy: 0.6881643572344117
Energy: 0.6893190945121467
Energy: 0.5665977128637598
Energy: 0.563633101812488
Energy: 0.566504068729811
Energy: 0.6478636249347874
Energy: 0.5665040687289707
Energy: 0.6488570505776036
Energy: 0.6108951156167741
Energy: 0.7036376863959778
Energy: 0.6108951156167741
Energy: 0.6308829910023109
Energy: 0.6579452465183238
Energy: 0.6588819462677835
Energy: 0.6579452465183238
Energy: 0.6440255144952658
Energy: 0.5686647024031101
Energy: 0.6282375528403232
Energy: 0.5686647024031101
Energy: 0.5689880081787179
Energy: 0.5684502476988598
Energy: 0.6280217342239083
Energy: 0.5684502476988598
Energy: 0.5686842583587357
Energy: 0.5685900719584852
Energy: 0.6592984427316845
Energy: 0.5685900719584852
Energy: 0.5683427054776871
Energy: 0.5690420744644709
Energy: 0.7647777422489203
Energy: 0.569042074465311
Energy: 0.5631427909340581
Energy: 0.600781789964656
Energy: 0.6558453066107353
Energy: 0.6007817899654961
Energy: 0.757272859943489
Energy: 0.6409499828977786
Energy: 0.608053744594056
Energy: 0.6409499828977786
Energy: 0.5632314164342611
Energy: 0.5504658468423428
Energy: 0.6227611981909892
Energy: 0.5504658468423428
Energy: 0.6764119287832283
Energy: 0.5510826814078804
Energy: 0.5897784744594704
Energy: 0.5510826814078804
Energy: 0.82580743281622
Energy: 0.5503587154995345
Energy: 0.5985938624100534
Energy: 0.5503587154995345
Energy: 0.5640587597220657
Energy: 0.5507032778133961
Energy: 0.7592737086597375
Energy: 0.5507032778133961
Energy: 0.6278608795098803
Energy: 0.5920445101975744
Energy: 0.6526168322766329
Energy: 0.5920445101975744
Energy: 0.6273628057206729
Energy: 0.5687273747269543
Energy: 0.6524827440908314
Energy: 0.5687273747269543
Energy: 0.6937215093856604
Energy: 0.5687759742097164
Energy: 0.627963043192623
Energy: 0.5687759742097164
Energy: 0.598544841170899
Energy: 0.5683807583949415
Energy: 0.6434298469989649
Energy: 0.5683807583941013
Energy: 0.5721954778303846
Energy: 0.5708541950919638
Energy: 0.6553304378895091
Energy: 0.5708541950911237
Energy: 0.5686652415805641
Energy: 0.5957050116594943
Energy: 0.7610400982285127
Energy: 0.5957050116594943
Energy: 0.6503116853007019
Energy: 0.6009975656568174
Energy: 0.648706108330604
Energy: 0.6009975656559772
Energy: 0.7643724329019176
Energy: 0.5664079099961151
Energy: 0.5666989440116955
Energy: 0.5664079099961151
Energy: 0.637387469330079
Energy: 0.5665563319604434
Energy: 0.5677154963870988
Energy: 0.5665563319596033
Energy: 0.7629295317558951
Energy: 0.5663474530972481
Energy: 0.566483665420095
Energy: 0.5663474530964079

minimum gb energy = 0.5503587154995345 eV
minimum distance =  2.51433516569207 Angstroms
sigma value = 17


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

Energy: 0.8715917235718458
Energy: 0.6801212987501986
Energy: 0.6822282245646962
Energy: 0.5595020841808679
Energy: 0.554276767351952
Energy: 0.5520770043217474
Energy: 0.6234555232139566
Energy: 0.5520770043207089
Energy: 0.6829333133429567
Energy: 0.5521102768316731
Energy: 0.6357122099597252
Energy: 0.5521102768311539
Energy: 0.7114647938065886
Energy: 0.5492435242471493
Energy: 0.6057765282157437
Energy: 0.5492435242466299
Energy: 0.5975175333649265
Energy: 0.5489044379084922
Energy: 0.6699534738538279
Energy: 0.5489044379079729
Energy: 0.5493270497434605
Energy: 0.5488986389012501
Energy: 0.6704069171300088
Energy: 0.5488986389012501
Energy: 0.5493117461820145
Energy: 0.5483944142218303
Energy: 0.6051987621169411
Energy: 0.5483944142218303
Energy: 0.5554850735847033
Energy: 0.5485875932804345
Energy: 0.8706471300492044
Energy: 0.5485875932809539
Energy: 0.6758359870927528
Energy: 0.5487862209982649
Energy: 0.638182559886909
Energy: 0.5487862209987843
Energy: 0.6323698687117849
Energy: 0.5784638508459652
Energy: 0.6034158184900098
Energy: 0.5784638508470037
Energy: 0.6737536913825205
Energy: 0.5526155402003674
Energy: 0.5546558735361315
Energy: 0.5526155402008867
Energy: 0.669793413636073
Energy: 0.5705805395535264
Energy: 0.6144605429959654
Energy: 0.5705805395540456
Energy: 0.6998588120815717
Energy: 0.5523742947479323
Energy: 0.5527673306778992
Energy: 0.5523742947494903
Energy: 0.642389320798776
Energy: 0.5522553856299385
Energy: 0.5541758337258355
Energy: 0.5522553856294192
Energy: 0.7168512886733869
Energy: 0.5524095558213444
Energy: 0.5574556722351603
Energy: 0.5524095558208253
Energy: 0.7077965803901913
Energy: 0.5685196248369617
Energy: 0.5574547954384798
Energy: 0.568519624837481
Energy: 0.5536901680781671
Energy: 0.5528636962888112
Energy: 0.7906490307904758
Energy: 0.5528636962893305
Energy: 0.5549067784176109
Energy: 0.5524824587642139
Energy: 0.6778454704472608
Energy: 0.5524824587631753
Energy: 0.5525854373853278
Energy: 0.5528405965640399
Energy: 0.6800911960938283
Energy: 0.5528405965640399
Energy: 0.6829604955857254
Energy: 0.5529670433744731
Energy: 0.8715437994810629
Energy: 0.5529670433755116
Energy: 0.6230999132009787
Energy: 0.5520098697683729
Energy: 0.6423543487995513
Energy: 0.5520098697694114
Energy: 0.6379796361709928
Energy: 0.5519456382729344
Energy: 0.6839475995329971
Energy: 0.5519456382729344
Energy: 0.6146346412941052
Energy: 0.5483828754495842
Energy: 0.7168833363479837
Energy: 0.548382875449065
Energy: 0.7254228989866234
Energy: 0.5490033635844804
Energy: 0.5489811550838722
Energy: 0.5490033635834417
Energy: 0.6707884648968655
Energy: 0.5489715212137576
Energy: 0.5492625931811561
Energy: 0.5489715212127191
Energy: 0.6046491960369436
Energy: 0.5486463179613477
Energy: 0.5514080291486476
Energy: 0.5486463179618669
Energy: 0.8709598871887279
Energy: 0.5495564096841448
Energy: 0.554960313419946
Energy: 0.5495564096846639
Energy: 0.6363040070619119
Energy: 0.5487231799021947
Energy: 0.6689601004478382
Energy: 0.548723179901156
Energy: 0.6037644504213817
Energy: 0.6515590363504142
Energy: 0.6338480777546339
Energy: 0.6515590363509335
Energy: 0.5556104275721998
Energy: 0.552072328634193
Energy: 0.672890362397158
Energy: 0.5520723286326351
Energy: 0.5948901686016493
Energy: 0.5528574398975326
Energy: 0.6697635075426025
Energy: 0.5528574398970133
Energy: 0.552530471597499
Energy: 0.5528813883155863
Energy: 0.6696543362032449
Energy: 0.5528813883171442
Energy: 0.5524891998861204
Energy: 0.5523556092587728
Energy: 0.670792565182615
Energy: 0.5523556092582534
Energy: 0.5598775546048222
Energy: 0.5524144151530674
Energy: 0.7118825485536757
Energy: 0.5524144151530674
Energy: 0.6757676131887584
Energy: 0.5708819224336836
Energy: 0.7076596868315788
Energy: 0.5708819224336836
Energy: 0.7902941532473298
Energy: 0.5530012562590827
Energy: 0.554257682907678
Energy: 0.5530012562580441
Energy: 0.6753335786856501
Energy: 0.5526395039008577
Energy: 0.5528752054456034
Energy: 0.5526395039003384
Energy: 0.6818640625469164
Energy: 0.582253566315944
Energy: 0.5708461566056336
Energy: 0.5822535663164633

minimum gb energy = 0.548382875449065 eV
minimum distance =  2.52925430869947 Angstroms
sigma value = 89


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

Energy: 0.8972872217620803
Energy: 0.6419094251583023
Energy: 0.6417616387132785
Energy: 0.5264838370514262
Energy: 0.6223641973584193
Energy: 0.6222624097721725
Energy: 0.6044784014381872
Energy: 0.6222624097708136
Energy: 0.4911123731340871
Energy: 0.5370847006616569
Energy: 0.620581087497439
Energy: 0.5370847006616569
Energy: 0.49365846755164494
Energy: 0.4958421088177108
Energy: 0.6057934263572318
Energy: 0.4958421088177108
Energy: 0.4958265767854112
Energy: 0.6178391220740705
Energy: 0.6198798694054442
Energy: 0.6178391220740705
Energy: 0.4962822544941216
Energy: 0.6182617510231317
Energy: 0.6188919309097455
Energy: 0.6182617510231317
Energy: 0.4959804012506195
Energy: 0.49437865573613254
Energy: 0.6243348311255204
Energy: 0.4943786557374913
Energy: 0.4952171782505417
Energy: 0.49485298617457446
Energy: 0.7109460372706186
Energy: 0.49485298617457446
Energy: 0.605036302631208
Energy: 0.6179247115820097
Energy: 0.7111999891310499
Energy: 0.6179247115820097
Energy: 0.6210568559037927
Energy: 0.5360623940971916
Energy: 0.5483443541109163
Energy: 0.5360623940971916
Energy: 0.6235352514895204
Energy: 0.5356524529750333
Energy: 0.4911259310336629
Energy: 0.5356524529750333
Energy: 0.6182506935960435
Energy: 0.6177173444168126
Energy: 0.49544435196137854
Energy: 0.6177173444154539
Energy: 0.6173370183683367
Energy: 0.49479775214116556
Energy: 0.49464252263093256
Energy: 0.49479775214116556
Energy: 0.6061338732948561
Energy: 0.4943638858266901
Energy: 0.4946351113668368
Energy: 0.4943638858266901
Energy: 0.7108043333781274
Energy: 0.49466812795054205
Energy: 0.49455516070124894
Energy: 0.49466812795054205

minimum gb energy = 0.4911123731340871 eV
minimum distance =  2.55220100477095 Angstroms
sigma value = 13


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

Energy: 0.7982365782499597
Energy: 0.6319125207048859
Energy: 0.6382563739306069
Energy: 0.503167290504311
Energy: 0.6376440766023772
Energy: 0.48545003104107964
Energy: 0.5417132969523141
Energy: 0.4854500310370931
Energy: 0.6922485920023023
Energy: 0.485119709087901
Energy: 0.5635483989217434
Energy: 0.48511970909017904
Energy: 0.6334150032538653
Energy: 0.6059536890524974
Energy: 0.5383159743414021
Energy: 0.6059536890524974
Energy: 0.5426607663978388
Energy: 0.5108461816564819
Energy: 0.6631582150331833
Energy: 0.5108461816542038
Energy: 0.5403276614123056
Energy: 0.48524511927977637
Energy: 0.6608971964502593
Energy: 0.48524511928034586
Energy: 0.5574622150370943
Energy: 0.48527433612756576
Energy: 0.6382941982579401
Energy: 0.4852743361252877
Energy: 0.49120133267075317
Energy: 0.4859063980062562
Energy: 0.7505458468525465
Energy: 0.4859063980056867
Energy: 0.5010403089638653
Energy: 0.49882538973985413
Energy: 0.7507970118639954
Energy: 0.49882538973928464
Energy: 0.4917381371885833
Energy: 0.4855053134008526
Energy: 0.7552397381645484
Energy: 0.4855053134014221
Energy: 0.48947263470407587
Energy: 0.48939929080046896
Energy: 0.798172089296824
Energy: 0.48939929080046896
Energy: 0.6417196061782019
Energy: 0.4853680317520882
Energy: 0.5396523964908146
Energy: 0.48536803175322724
Energy: 0.6691801125125568
Energy: 0.5100498933152127
Energy: 0.6401379701876339
Energy: 0.5100498933180603
Energy: 0.6379822891187987
Energy: 0.4856870628371347
Energy: 0.6338069718928557
Energy: 0.4856870628382738
Energy: 0.7509611821250636
Energy: 0.4861046434679111
Energy: 0.5402096819744766
Energy: 0.48610464346905013
Energy: 0.7505847869353118
Energy: 0.48599177923722797
Energy: 0.49144825289136707
Energy: 0.4859917792377975
Energy: 0.6367042690004003
Energy: 0.48574380238243237
Energy: 0.488691303245953
Energy: 0.48574380238300185
Energy: 0.6849255410030545
Energy: 0.48588838666007383
Energy: 0.4921518918267015
Energy: 0.4858883866612128
Energy: 0.8129536820795623
Energy: 0.48897804863182853
Energy: 0.5364815185477358
Energy: 0.4889780486329675
Energy: 0.6418360201590763
Energy: 0.4852155037961425
Energy: 0.5594387816855835
Energy: 0.4852155037961425
Energy: 0.6324838029242367
Energy: 0.4857549013516653
Energy: 0.535800056381006
Energy: 0.48575490135337385
Energy: 0.643387310676321
Energy: 0.5089905371427742
Energy: 0.6423365165429136
Energy: 0.5089905371439133
Energy: 0.5409568827938436
Energy: 0.485681397390218
Energy: 0.6681192605433833
Energy: 0.48568139738964844
Energy: 0.48536470608958865
Energy: 0.48501393000280363
Energy: 0.7515351024379463
Energy: 0.48501393000166465
Energy: 0.5369351559359239
Energy: 0.4858298657621759
Energy: 0.7501814886628507
Energy: 0.4858298657621759
Energy: 0.48771044480337317
Energy: 0.48577366173581726
Energy: 0.749776064395983
Energy: 0.4857736617363868
Energy: 0.4858919618768216
Energy: 0.4853065861324445
Energy: 0.7531208321498759
Energy: 0.4853065861301665
Energy: 0.48527383321755724
Energy: 0.4858190912759376
Energy: 0.6859336920749932
Energy: 0.485819091271951
Energy: 0.6399042434329336
Energy: 0.4855256806947582
Energy: 0.8139137560366285
Energy: 0.48552568069532775
Energy: 0.5590444955204099
Energy: 0.5115281741067587
Energy: 0.6377493137809608
Energy: 0.5115281741090367
Energy: 0.6365674630241397
Energy: 0.513306346579197
Energy: 0.6321806009991371
Energy: 0.513306346580336
Energy: 0.750631020388565
Energy: 0.48581304994897495
Energy: 0.5353270338318376
Energy: 0.4858130499484054
Energy: 0.7505538247793037
Energy: 0.48628898190076825
Energy: 0.48566056770441846
Energy: 0.48628898189678177
Energy: 0.7095583187565839
Energy: 0.4855297527430505
Energy: 0.4860999896188813
Energy: 0.48552975274362004
Energy: 0.8129720177903342
Energy: 0.4858784324073796
Energy: 0.49020149825520876
Energy: 0.48587843240624057

minimum gb energy = 0.48501393000166465 eV
minimum distance =  2.54575995913859 Angstroms
sigma value = 37


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

Energy: 0.786443856295172
Energy: 0.4560527574501286
Energy: 0.6033586832701353
Energy: 0.47221341951381196
Energy: 0.6581697602244158
Energy: 0.45547842643012987
Energy: 0.5553349614816984
Energy: 0.45547842643012987
Energy: 0.6910523942776621
Energy: 0.45517821981634343
Energy: 0.5559737962284966
Energy: 0.45517821981634343
Energy: 0.6909709386557226
Energy: 0.4964684903846107
Energy: 0.5476006872621785
Energy: 0.4964684903846107
Energy: 0.5654928588786219
Energy: 0.49863521789099374
Energy: 0.6086517174553401
Energy: 0.49863521789099374
Energy: 0.5039692032509655
Energy: 0.4517260685872586
Energy: 0.7563478477027302
Energy: 0.4517260685862788
Energy: 0.5073613544232735
Energy: 0.4517012051518066
Energy: 0.6270062588864483
Energy: 0.45170120515082685
Energy: 0.5097310298994936
Energy: 0.44091722621365653
Energy: 0.80488526488464
Energy: 0.44091722621365653
Energy: 0.49895524078630415
Energy: 0.4410448683854914
Energy: 0.8049793717111593
Energy: 0.4410448683854914
Energy: 0.4969140357452621
Energy: 0.441103508121997
Energy: 0.7449166682244857
Energy: 0.441103508121997
Energy: 0.4981950117545636
Energy: 0.4982119098359712
Energy: 0.6983811973772956
Energy: 0.4982119098359712
Energy: 0.5900566578242563
Energy: 0.4409463606273599
Energy: 0.6272852206604269
Energy: 0.44094636062833975
Energy: 0.5893928801784152
Energy: 0.44060197087129493
Energy: 0.6909342320817504
Energy: 0.44060197087129493
Energy: 0.5901475452202068
Energy: 0.48115653547894394
Energy: 0.6909849251947372
Energy: 0.48115653547992376
Energy: 0.6086517174543604
Energy: 0.48182198171328733
Energy: 0.5407970235745118
Energy: 0.4818219817054488
Energy: 0.7727554691567593
Energy: 0.4805032105688307
Energy: 0.5031321792984229
Energy: 0.4805032105688307
Energy: 0.6591309139869671
Energy: 0.4553576439179894
Energy: 0.5073927623260012
Energy: 0.4553576439179894
Energy: 0.80488526488464
Energy: 0.45580427218491415
Energy: 0.4658050267676442
Energy: 0.45580427218491415
Energy: 0.8049793717101794
Energy: 0.4557317848954941
Energy: 0.45548748653700266
Energy: 0.4557317848954941
Energy: 0.8065049054901785
Energy: 0.45584879376314397
Energy: 0.45589999082165306
Energy: 0.45584879376314397

minimum gb energy = 0.44060197087129493 eV
minimum distance =  2.54316029449345 Angstroms
sigma value = 25


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

Energy: 0.925419241392928
Energy: 0.4073543235839943
Energy: 0.5639747286149378
Energy: 0.4138923002594402
Energy: 0.7681547769722834
Energy: 0.40638236288057134
Energy: 0.4859603384489947
Energy: 0.40638236288057134
Energy: 0.8034669767454213
Energy: 0.4059508547967028
Energy: 0.4835590786078433
Energy: 0.4059508547967028
Energy: 0.6608864798069204
Energy: 0.41039275706396056
Energy: 0.4806570128792733
Energy: 0.4103927570631955
Energy: 0.6586558591098431
Energy: 0.5322205902419758
Energy: 0.6614339307043288
Energy: 0.5322205902419758
Energy: 0.6074049064159909
Energy: 0.43777892989261397
Energy: 0.6653582497359877
Energy: 0.4377789298918488
Energy: 0.6051108385999083
Energy: 0.40426089270124177
Energy: 0.6584920163918677
Energy: 0.40426089270200694
Energy: 0.49882046807964836
Energy: 0.4025328188042398
Energy: 0.7915819250901998
Energy: 0.4025328188034747
Energy: 0.5130914267785226
Energy: 0.40565700061106685
Energy: 0.8487478866814013
Energy: 0.40565700061183196
Energy: 0.5040434558366603
Energy: 0.4040935200484898
Energy: 0.7625098706429267
Energy: 0.4040935200484898
Energy: 0.43889427820906474
Energy: 0.40171855750724267
Energy: 0.7905907051130344
Energy: 0.40171855750724267
Energy: 0.4498821602825142
Energy: 0.4040997511327797
Energy: 0.7624990157164712
Energy: 0.4040997511327797
Energy: 0.44214838257745037
Energy: 0.3988138347300367
Energy: 0.8849164893259897
Energy: 0.3988138347308018
Energy: 0.4486608479588506
Energy: 0.39989128176918415
Energy: 0.8557953958887833
Energy: 0.3998912817684191
Energy: 0.5160309429469646
Energy: 0.39872607586520287
Energy: 0.8059518460749109
Energy: 0.39872607586520287
Energy: 0.5142321189241441
Energy: 0.3991417722826065
Energy: 0.8035207139567068
Energy: 0.39914177228337155
Energy: 0.5829145589252814
Energy: 0.5240973790708223
Energy: 0.803125485551129
Energy: 0.5240973790700572
Energy: 0.5475091715524973
Energy: 0.4366024281460511
Energy: 0.6613134645854456
Energy: 0.43660242814681616
Energy: 0.6814921310879971
Energy: 0.4368732284760321
Energy: 0.6048386521026788
Energy: 0.436873228475267
Energy: 0.6840682328348135
Energy: 0.5016145823451262
Energy: 0.6078597677024228
Energy: 0.5016145823451262
Energy: 0.7914104637517767
Energy: 0.4062886850568014
Energy: 0.47997182132208077
Energy: 0.4062886850568014
Energy: 0.8456357627698853
Energy: 0.406309041916342
Energy: 0.4504830717713155
Energy: 0.406309041916342
Energy: 0.8842502954854828
Energy: 0.40669302752949177
Energy: 0.4795198646000931
Energy: 0.40669302752949177
Energy: 0.7911163802072465
Energy: 0.41099250831590933
Energy: 0.40811230419612504
Energy: 0.41099250831590933
Energy: 0.8101012302830233
Energy: 0.406103101165813
Energy: 0.40788317724755857
Energy: 0.406103101165813
Energy: 0.8019963096995442
Energy: 0.40661297195973317
Energy: 0.40706149015229154
Energy: 0.40661297195896806

minimum gb energy = 0.39872607586520287 eV
minimum distance =  2.54237159993235 Angstroms
sigma value = 41


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

Energy: 0.9565768932958072
Energy: 0.3668052829498723
Energy: 0.5304928252134217
Energy: 0.3785655753908686
Energy: 0.8323986734861079
Energy: 0.3662886506567857
Energy: 0.4268482656185331
Energy: 0.36628865065615845
Energy: 0.8285584339271878
Energy: 0.36580714820577137
Energy: 0.4292449406550647
Energy: 0.3658071482063987
Energy: 0.7331125730210823
Energy: 0.36662404961863615
Energy: 0.4261441389953111
Energy: 0.36662404961863615
Energy: 0.7596095169117323
Energy: 0.4762646514522781
Energy: 0.588223741832009
Energy: 0.4762646514522781
Energy: 0.6818188034819826
Energy: 0.4817856843271794
Energy: 0.5849358799524481
Energy: 0.48178568432780666
Energy: 0.6786453947108936
Energy: 0.5809615590341208
Energy: 0.5848804585198406
Energy: 0.5809615590341208
Energy: 0.5864952047024209
Energy: 0.4820071957298741
Energy: 0.6276565138781035
Energy: 0.4820071957305013
Energy: 0.4879917057724072
Energy: 0.47759854318623957
Energy: 0.7579425452333921
Energy: 0.47759854318623957
Energy: 0.4876125695054369
Energy: 0.47640625350118776
Energy: 0.7551056510896662
Energy: 0.47640625350181504
Energy: 0.42737369501009864
Energy: 0.3662828243080284
Energy: 0.8455091198075732
Energy: 0.3662828243124192
Energy: 0.4288035712109359
Energy: 0.3657823866757499
Energy: 0.9009043727534437
Energy: 0.3657823866757499
Energy: 0.42698328004535924
Energy: 0.3667228394382747
Energy: 0.8963303873686599
Energy: 0.3667228394382747
Energy: 0.36680987402395654
Energy: 0.36661019597793476
Energy: 0.7529763474611088
Energy: 0.3666101959791893
Energy: 0.36752082762612154
Energy: 0.3665961623849481
Energy: 0.8305927291488194
Energy: 0.3665961623849481
Energy: 0.37162935455273216
Energy: 0.366804086510369
Energy: 0.8272206790532887
Energy: 0.3668040865097417
Energy: 0.43457337594568535
Energy: 0.36690078655557845
Energy: 0.8272075445453148
Energy: 0.3669007865549511
Energy: 0.44434277442857156
Energy: 0.36570208017597655
Energy: 0.8297523391063911
Energy: 0.3657020801772311
Energy: 0.42824807004244947
Energy: 0.3659728701731978
Energy: 0.6837988898814287
Energy: 0.36597287017257046
Energy: 0.585836092834175
Energy: 0.4759423920399704
Energy: 0.6821349389395117
Energy: 0.4759423920399704
Energy: 0.6285419068111813
Energy: 0.47614083672987767
Energy: 0.7560951530023817
Energy: 0.47614083672987767
Energy: 0.5866906034287006
Energy: 0.5831794254746473
Energy: 0.6786752549657626
Energy: 0.58317942547402
Energy: 0.7585737964820534
Energy: 0.5790565377136445
Energy: 0.6800761773342817
Energy: 0.5790565377142718
Energy: 0.5906520569485212
Energy: 0.4817660962393502
Energy: 0.5859749720253128
Energy: 0.4817660962387229
Energy: 0.7558449682780339
Energy: 0.47683255618371817
Energy: 0.5220778341367278
Energy: 0.47683255618497267
Energy: 0.7548075160805805
Energy: 0.47619596210080506
Energy: 0.5845250443375518
Energy: 0.47619596210017784
Energy: 0.7537173128538945
Energy: 0.47540967649997773
Energy: 0.4282525316318013
Energy: 0.4754096764993505
Energy: 0.8290561060312895
Energy: 0.3672563644150232
Energy: 0.44511484348964736
Energy: 0.36725636441439596
Energy: 0.7540155249689003
Energy: 0.36664863767619016
Energy: 0.4284016258588781
Energy: 0.36664863767619016
Energy: 0.7536168695782223
Energy: 0.36673807039993545
Energy: 0.36702225787973214
Energy: 0.36673807039930817
Energy: 0.829480207055871
Energy: 0.3662494179681907
Energy: 0.3674292879674411
Energy: 0.3662494179681907
Energy: 0.8272136487205799
Energy: 0.3673830907885598
Energy: 0.3671263170489566
Energy: 0.3673830907873053

minimum gb energy = 0.36570208017597655 eV
minimum distance =  2.55996971176694 Angstroms
sigma value = 15


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

Energy: 0.833144494611276
Energy: 0.34156810829686324
Energy: 0.5087341105956157
Energy: 0.35460178799234954
Energy: 0.8811962809474931
Energy: 0.33895491439662867
Energy: 0.3900727421807096
Energy: 0.33895491439662867
Energy: 0.8810700576193493
Energy: 0.3406776516639952
Energy: 0.3939779900140331
Energy: 0.34067765166346387
Energy: 0.7497753439668484
Energy: 0.34076793503255876
Energy: 0.3907115344881795
Energy: 0.34076793503255876
Energy: 0.8188125267898382
Energy: 0.4371924019407733
Energy: 0.5287154179148341
Energy: 0.4371924019407733
Energy: 0.756110512723767
Energy: 0.3402010645618165
Energy: 0.5260981272549741
Energy: 0.34020106456287924
Energy: 0.6136856923643037
Energy: 0.5388276461036549
Energy: 0.526642767454588
Energy: 0.5388276461025922
Energy: 0.6863201634414886
Energy: 0.5303360931216027
Energy: 0.5313043137388495
Energy: 0.5303360931210713
Energy: 0.6128570012551932
Energy: 0.5369448852882184
Energy: 0.6814439816233232
Energy: 0.5369448852882184
Energy: 0.6108857055011578
Energy: 0.5353029875737872
Energy: 0.682050674453816
Energy: 0.5353029875737872
Energy: 0.5313805488485699
Energy: 0.3416204522974596
Energy: 0.7391245557262349
Energy: 0.34162045229267723
Energy: 0.4428478130750705
Energy: 0.43699255022703243
Energy: 0.8141840061647442
Energy: 0.43699255022809513
Energy: 0.5278121866178153
Energy: 0.43626286158890026
Energy: 0.8172432138242383
Energy: 0.43626286158836886
Energy: 0.3983843370807792
Energy: 0.34034750777025297
Energy: 0.689414121480031
Energy: 0.3403475077707843
Energy: 0.4053182850467744
Energy: 0.3400532659332692
Energy: 0.875114411896331
Energy: 0.3400532659327378
Energy: 0.3937662294335829
Energy: 0.33955460787249414
Energy: 0.8178733080331232
Energy: 0.3395546078719628
Energy: 0.3456936538575376
Energy: 0.33980591145918326
Energy: 0.8116525967675278
Energy: 0.33980591146130873
Energy: 0.3392510969498791
Energy: 0.33962274702327233
Energy: 0.8756183793620147
Energy: 0.33962274702327233
Energy: 0.346061209198025
Energy: 0.3399706083894666
Energy: 0.7575310395419911
Energy: 0.33997060838893517
Energy: 0.3961332975660734
Energy: 0.33958480222231496
Energy: 0.873135071999264
Energy: 0.3395848022276287
Energy: 0.40362773818448267
Energy: 0.3407044860873853
Energy: 0.875423065796718
Energy: 0.34070448608844806
Energy: 0.398186885688592
Energy: 0.33932938246963423
Energy: 0.74981339196583
Energy: 0.3393293824685714
Energy: 0.5266512166227257
Energy: 0.3407253188172697
Energy: 0.7533003807195111
Energy: 0.3407253188193952
Energy: 0.5305924221163726
Energy: 0.4374049238629201
Energy: 0.814615143831118
Energy: 0.4374049238634515
Energy: 0.533646938074726
Energy: 0.4458729543886909
Energy: 0.6455477981814469
Energy: 0.4458729543977243
Energy: 0.6840820136127209
Energy: 0.5349891880532844
Energy: 0.7566708314212214
Energy: 0.5349891880537676
Energy: 0.5275290130664434
Energy: 0.5364738810042464
Energy: 0.6821074956857648
Energy: 0.5364738810042464
Energy: 0.6871952823501888
Energy: 0.5307720061609258
Energy: 0.6453667211932625
Energy: 0.5307720061603943
Energy: 0.6864226761352202
Energy: 0.5380468579084771
Energy: 0.6193661397832182
Energy: 0.5380468579084771
Energy: 0.6835148140623651
Energy: 0.44801832612394243
Energy: 0.5278173586394388
Energy: 0.4480183261244738
Energy: 0.8167270607058982
Energy: 0.4366097212955066
Energy: 0.44243381148790767
Energy: 0.4366097212955066
Energy: 0.6880261555263572
Energy: 0.34120041268095147
Energy: 0.456861362776428
Energy: 0.34120041268360835
Energy: 0.8175772342045061
Energy: 0.33909261738336666
Energy: 0.39358744142799307
Energy: 0.3390926173823039
Energy: 0.8808332482779394
Energy: 0.3390086121411801
Energy: 0.3935319659239378
Energy: 0.3390086121406487
Energy: 0.9277845893418621
Energy: 0.3394743268700195
Energy: 0.3492882968737041
Energy: 0.33947432686683127
Energy: 0.8810912288357154
Energy: 0.33977627320703585
Energy: 0.3404938564658268
Energy: 0.33977627320703585
Energy: 0.8791485045244898
Energy: 0.3399768046441466
Energy: 0.34163458519371936
Energy: 0.3399768046441466

minimum gb energy = 0.33895491439662867 eV
minimum distance =  2.55552994090404 Angstroms
sigma value = 85


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

Energy: 0.936667628102833
Energy: 0.3069215574277357
Energy: 0.3070443608776359
Energy: 0.3247184199966973
Energy: 0.8453801597871582
Energy: 0.3067333288966729
Energy: 0.3530784406844405
Energy: 0.306733328896212
Energy: 0.8153227620086511
Energy: 0.30677008040663134
Energy: 0.3535717509568741
Energy: 0.3067700804061705
Energy: 0.700630916692878
Energy: 0.3067647701386845
Energy: 0.35185739668356497
Energy: 0.3067647701382237
Energy: 0.8453682090509319
Energy: 0.39306650030600415
Energy: 0.4711580634221417
Energy: 0.393066500306465
Energy: 0.7009746724329231
Energy: 0.3069705355356924
Energy: 0.47065493589803825
Energy: 0.3069705355204839
Energy: 0.7010576225281772
Energy: 0.406950315505923
Energy: 0.5520163551241573
Energy: 0.40695031550638383
Energy: 0.7328257463963456
Energy: 0.48317233161869966
Energy: 0.5059051354303541
Energy: 0.48317233161823875
Energy: 0.7014869815590343
Energy: 0.4904198320140553
Energy: 0.6099579165805106
Energy: 0.4904198320135944
Energy: 0.7016824435376998
Energy: 0.4931073428180784
Energy: 0.6588475317301492
Energy: 0.49310734281900004
Energy: 0.608897753566723
Energy: 0.48416368409977156
Energy: 0.6895792389799201
Energy: 0.4841636841002324
Energy: 0.5761307169343388
Energy: 0.4818342702985018
Energy: 0.7322745747270073
Energy: 0.4818342702985018
Energy: 0.6089037639251367
Energy: 0.4822476890460049
Energy: 0.7597768067138413
Energy: 0.4822476890460049
Energy: 0.4667391784830015
Energy: 0.365148057467458
Energy: 0.6410279677402073
Energy: 0.3651480574665363
Energy: 0.45531971373168845
Energy: 0.35930198369674554
Energy: 0.8440000656042136
Energy: 0.35930198369674554
Energy: 0.4672400271495033
Energy: 0.35957258521807783
Energy: 0.7588775478148942
Energy: 0.3595725852194604
Energy: 0.3654320805623874
Energy: 0.3058382870779438
Energy: 0.7588730620316322
Energy: 0.30583828707886557
Energy: 0.3718469002564443
Energy: 0.3512773649970353
Energy: 0.8717150749948563
Energy: 0.3512773649970353
Energy: 0.36947490178823283
Energy: 0.3070719696639356
Energy: 0.8686483768582789
Energy: 0.30707196965564
Energy: 0.32776768560245856
Energy: 0.30519419795713326
Energy: 0.8683402343492265
Energy: 0.30519419795759417
Energy: 0.3279622001169693
Energy: 0.30538821052416765
Energy: 0.898222112607897
Energy: 0.3053882105232459
Energy: 0.3277259939156469
Energy: 0.30497083083241794
Energy: 0.7871251664496146
Energy: 0.3049708308310353
Energy: 0.3733936225377651
Energy: 0.3051710746620545
Energy: 0.8953140038534302
Energy: 0.30517107466021104
Energy: 0.3756825535867255
Energy: 0.30642298067120466
Energy: 0.897563673368141
Energy: 0.30642298067166557
Energy: 0.3719514297303952
Energy: 0.30629688991696274
Energy: 0.7700576011242256
Energy: 0.30629688991696274
Energy: 0.48463161103606134
Energy: 0.30675245205095025
Energy: 0.8418234390792092
Energy: 0.30675245205141105
Energy: 0.48696738036466936
Energy: 0.30660903408517526
Energy: 0.8162219177244618
Energy: 0.30660903408563606
Energy: 0.48596362782657393
Energy: 0.3924043056093223
Energy: 0.7707174192155589
Energy: 0.39240430560886147
Energy: 0.6058362998791781
Energy: 0.4522214714152058
Energy: 0.7313494323373898
Energy: 0.452221471414745
Energy: 0.6075618709314389
Energy: 0.4547699176855745
Energy: 0.703858941831646
Energy: 0.45476991768511366
Energy: 0.6078737917014548
Energy: 0.4603919164596029
Energy: 0.5765940183245669
Energy: 0.4603919164591421
Energy: 0.6405331122486965
Energy: 0.4912664880246905
Energy: 0.6096496280958332
Energy: 0.49126648802515127
Energy: 0.7329309067218184
Energy: 0.48480057860105247
Energy: 0.5766963516242931
Energy: 0.48480057860059156
Energy: 0.7668538579131673
Energy: 0.4830347503353508
Energy: 0.5778031902538164
Energy: 0.4830347503358116
Energy: 0.6888306240717363
Energy: 0.3076271821070596
Energy: 0.4702754606299315
Energy: 0.3076271821015292
Energy: 0.8449642256637683
Energy: 0.39295118514653515
Energy: 0.4709236217585868
Energy: 0.39295118514653515
Energy: 0.8695259675214584
Energy: 0.39270575220558807
Energy: 0.4707859393028937
Energy: 0.39270575220512716
Energy: 0.7592242634257059
Energy: 0.30688321058580403
Energy: 0.35099094543812315
Energy: 0.30688321058672574
Energy: 0.901370204980158
Energy: 0.3067885485358076
Energy: 0.35254687653298417
Energy: 0.30678854853534676
Energy: 0.8684182094233265
Energy: 0.30694421472200484
Energy: 0.35133026720891447
Energy: 0.30694421472292654
Energy: 0.7587010631267455
Energy: 0.30702531967100816
Energy: 0.3082502477905454
Energy: 0.30702531967054725
Energy: 0.9250113604535444
Energy: 0.30682654202380544
Energy: 0.30739111720568624
Energy: 0.30682654202380544
Energy: 0.8143362415042248
Energy: 0.3067125924677258
Energy: 0.3071623450788467
Energy: 0.3067125924677258

minimum gb energy = 0.3049708308310353 eV
minimum distance =  2.55959295880298 Angstroms
sigma value = 113


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

Energy: 0.01171330665246296
Energy: 0.23912072992752761
Energy: 0.6956771768479652
Energy: 0.013589696023899412
Energy: 0.5235768866827045
Energy: 0.06347453154388097
Energy: 0.5229195486610677
Energy: 0.06347453154388097
Energy: 0.013044566534827532
Energy: 0.0620673177813329
Energy: 0.5211121719083256
Energy: 0.0620673177813329
Energy: 0.013135544777700459
Energy: 0.06152922278885843
Energy: 0.5210015936792762
Energy: 0.06152922278919303
Energy: 0.5208698433127257
Energy: 0.06149750929069352
Energy: 0.5207678396289751
Energy: 0.061497509291028124
Energy: 0.012145399804283741
Energy: 0.06184582924872964
Energy: 0.5210590852737249
Energy: 0.06184582924872964

minimum gb energy = 0.01171330665246296 eV
minimum distance =  2.82305305922771 Angstroms
sigma value = 1