Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_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=4.045353233814239
cohesive_energy=3.3603034700051637
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=[0.0, 2.4293644083678596e-19, 2.9105941821560997e-19, 3.2932740711869995e-19, 3.6091431945801e-19, 3.87569732117868e-19, 4.1038152303275995e-19, 4.30086693454326e-19, 4.47205950788616e-19, 4.621334304875939e-19, 4.75167137405184e-19, 4.86545795859852e-19, 4.96456860517776e-19, 5.050605490423559e-19, 5.12485035564312e-19, 5.188408702713899e-19, 5.242209794083619e-19, 5.28655804331274e-19, 5.31829716243228e-19, 5.341929267783779e-19, 5.359969776682619e-19, 5.37293138565168e-19, 5.380766029391939e-19, 5.38337757730536e-19, 5.38049365936416e-19, 5.37112092605526e-19, 5.35410581020218e-19, 5.32815054873138e-19, 5.29176511737324e-19, 5.243123034765e-19, 5.18009340598344e-19, 5.100080704881479e-19, 4.9999927305555e-19, 4.8760643679156e-19, 4.72368134825586e-19, 4.53723605335728e-19, 4.3097109495629396e-19, 4.03240621775022e-19, 3.69433092620988e-19, 3.2815301164597795e-19, 2.77602736666644e-19, 2.1544308979734597e-19, 1.3858315187577118e-19, 4.2878732820415196e-20, -7.73324198109414e-20, -2.2993317527524196e-19, -4.26178984644e-19, -6.8256409614658195e-19, -1.0240728522135838e-18, -1.4900611196825821e-18, -2.14553881765476e-18, -3.1045216419354596e-18, -4.5832665880521e-18, -7.03717634245284e-18]
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: 0.010349723806379123
Energy: 0.011046813018267558
Energy: 0.4917991330403761
Energy: 0.048206857099364044
Energy: 0.011046813018267558
Energy: 0.5059325450656288
Energy: 0.048206857099364044
Energy: 0.5059325450661296
Energy: 0.49179913304084916
Energy: 0.048206857099364044
Energy: 0.010349723806379123
Energy: 0.011046813018267558
Energy: 0.048206857099364044
Energy: 0.5059325450651558
Energy: 0.011046813018267558
Energy: 0.5059325450651558

minimum gb energy = 0.010349723806379123 eV
minimum distance =  2.71153572994603 Angstroms
sigma value = 1


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

Energy: 0.5880215587352806
Energy: 0.5159132419946469
Energy: 0.5525588479944479
Energy: 0.5521295671821531
Energy: 0.521466950914828
Energy: 0.5456015183858423
Energy: 0.5191111185168972
Energy: 0.5456015183852347
Energy: 0.5518958721920235
Energy: 0.5527637976328765
Energy: 0.5222975694367236
Energy: 0.5527637976322691
Energy: 0.539008925433369
Energy: 0.5379888441304037
Energy: 0.5191862490513911
Energy: 0.5379888441297962
Energy: 0.5330172629676942
Energy: 0.5373277271941315
Energy: 0.5192490181304993
Energy: 0.537327727193524
Energy: 0.5383429351415554
Energy: 0.5495854102309167
Energy: 0.5285308413703801
Energy: 0.5495854102303093
Energy: 0.5306705316724953
Energy: 0.5575235404404285
Energy: 0.575273263558194
Energy: 0.5575235404404285
Energy: 0.5327361989534478
Energy: 0.5534186500575076
Energy: 0.5485613732181909
Energy: 0.5534186500575076
Energy: 0.5542615587400208
Energy: 0.5414832851620983
Energy: 0.5386627841627774
Energy: 0.5414832851614908
Energy: 0.5431527888721909
Energy: 0.5418398174643193
Energy: 0.5358681157975694
Energy: 0.5418398174637119
Energy: 0.5356744952563383
Energy: 0.5397005654748119
Energy: 0.5532444309803572
Energy: 0.5397005654742046
Energy: 0.541436328455647
Energy: 0.5409218014066339
Energy: 0.5477273146187656
Energy: 0.5409218014072413
Energy: 0.5504711212975634
Energy: 0.5604546605495937
Energy: 0.5432790221907582
Energy: 0.5604546605489862
Energy: 0.5385092271383713
Energy: 0.5503075261031329
Energy: 0.5404141758831412
Energy: 0.5503075261037405
Energy: 0.5273712804835214
Energy: 0.5366062846725972
Energy: 0.5339617659147485
Energy: 0.5366062846725972
Energy: 0.531677573135303
Energy: 0.5376802905496091
Energy: 0.5319814739103453
Energy: 0.5376802905496091
Energy: 0.5514815666777254
Energy: 0.5517381294228109
Energy: 0.5177844315586618
Energy: 0.5517381294228109
Energy: 0.5187862869299606
Energy: 0.5386941137648221
Energy: 0.5376014355978052
Energy: 0.5386941137642147
Energy: 0.5213758371409304
Energy: 0.5517953530962837
Energy: 0.5530265247317464
Energy: 0.5517953530950688
Energy: 0.5400342370463947
Energy: 0.5708901727286024
Energy: 0.5275400894888472
Energy: 0.5708901727273876
Energy: 0.5205822810085311
Energy: 0.5372709762915006
Energy: 0.5361651819937365
Energy: 0.5372709762915006
Energy: 0.5264988881293686
Energy: 0.5381920145284005
Energy: 0.5395000822701084
Energy: 0.5381920145284005
Energy: 0.53445146188411
Energy: 0.556899243643534
Energy: 0.5291793685819433
Energy: 0.5568992436429265
Energy: 0.5477954694051846
Energy: 0.5372145473612642
Energy: 0.530940641822564
Energy: 0.5372145473618717
Energy: 0.5392097874787711
Energy: 0.5427322033530646
Energy: 0.5346547601185131
Energy: 0.5427322033530646
Energy: 0.5352085920417611
Energy: 0.539214052662289
Energy: 0.5442820869702794
Energy: 0.539214052662289
Energy: 0.5358412620234181
Energy: 0.5401156700250266
Energy: 0.5354937650342945
Energy: 0.5401156700250266
Energy: 0.5463318636517654
Energy: 0.5396078941086917
Energy: 0.542839191931399
Energy: 0.5396078941086917
Energy: 0.5432968374192009
Energy: 0.5607028114870898
Energy: 0.5368110754760418
Energy: 0.5607028114870898
Energy: 0.5432170559004791
Energy: 0.5501768210842661
Energy: 0.5406123221842486
Energy: 0.5501768210842661
Energy: 0.5196855600210277
Energy: 0.536600683212823
Energy: 0.5308687457059736
Energy: 0.5366006832134304
Energy: 0.5316040388396315
Energy: 0.53700268699866
Energy: 0.5319467625715687
Energy: 0.53700268699866
Energy: 0.5144353988696577
Energy: 0.5190014530599335
Energy: 0.5533422287621973
Energy: 0.5190014661347844

minimum gb energy = 0.5144353988696577 eV
minimum distance =  2.51395850085745 Angstroms
sigma value = 1


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

Energy: 0.5986601661708152
Energy: 0.5368177466161147
Energy: 0.5788297076919983
Energy: 0.578911793131156
Energy: 0.549194278852404
Energy: 0.5711453201137265
Energy: 0.5489594029926868
Energy: 0.5711453201144193
Energy: 0.5789442542001366
Energy: 0.578869172423323
Energy: 0.606410332086205
Energy: 0.5788691724240156
Energy: 0.5636722232349723
Energy: 0.56465470442798
Energy: 0.5470958091384108
Energy: 0.5646547044293652
Energy: 0.5433789725360584
Energy: 0.5644973007573473
Energy: 0.5421440849733311
Energy: 0.5644973007566546
Energy: 0.5700006732617594
Energy: 0.5802081897499998
Energy: 0.5511465131481378
Energy: 0.580208189751385
Energy: 0.5584761908279935
Energy: 0.5856403890593856
Energy: 0.5599996094748056
Energy: 0.5856403890593856
Energy: 0.5577373839834977
Energy: 0.5760444812202646
Energy: 0.5737012913285402
Energy: 0.5760444812202646
Energy: 0.557939069687835
Energy: 0.5709417207865825
Energy: 0.5766688145010594
Energy: 0.5709417207865825
Energy: 0.5743062507093472
Energy: 0.5710061787394006
Energy: 0.5566467323150303
Energy: 0.5710061787394006
Energy: 0.5471366080436616
Energy: 0.5814060372389158
Energy: 0.5564384460174229
Energy: 0.5814060372389158
Energy: 0.5660576871116887
Energy: 0.5803319969521183
Energy: 0.5633584293642677
Energy: 0.5803319969521183
Energy: 0.5600646657862285
Energy: 0.5643568788506378
Energy: 0.5482039414004652
Energy: 0.5643568788520229
Energy: 0.5514522202914637
Energy: 0.5636069491093834
Energy: 0.5570936538839333
Energy: 0.5636069491079984
Energy: 0.5378330344184412
Energy: 0.5781722341174296
Energy: 0.5783617198614245
Energy: 0.5781722341181224
Energy: 0.5513219989679267
Energy: 0.5633150334107322
Energy: 0.5474503504611878
Energy: 0.5633150334107322
Energy: 0.5788618337696063
Energy: 0.5784663469597358
Energy: 0.5577847590886497
Energy: 0.5784663469604283
Energy: 0.5492568761912767
Energy: 0.5425123326218395
Energy: 0.5712728979367417
Energy: 0.5425123326218395
Energy: 0.5520333402940478
Energy: 0.5641089195477476
Energy: 0.5424400473205635
Energy: 0.5641089195491328
Energy: 0.5627413050283838
Energy: 0.5637369193288455
Energy: 0.5487268495637775
Energy: 0.5637369193288455
Energy: 0.5647828537552695
Energy: 0.5857194213717253
Energy: 0.5553304637666652
Energy: 0.5857194213710327
Energy: 0.5563593176397852
Energy: 0.5803105701600674
Energy: 0.5752415762873423
Energy: 0.5803105701586823
Energy: 0.5565876934077271
Energy: 0.5707262238410479
Energy: 0.5638763837270282
Energy: 0.5707262238410479
Energy: 0.574109408969243
Energy: 0.5716235356047229
Energy: 0.5685930281212466
Energy: 0.5716235356033378
Energy: 0.5514408716198774
Energy: 0.5811745296987575
Energy: 0.5558003116837456
Energy: 0.5811745297001426
Energy: 0.5624183459405476
Energy: 0.5794880401621659
Energy: 0.5637127996953054
Energy: 0.5794880401614734
Energy: 0.559433781960706
Energy: 0.5632695000547568
Energy: 0.548216948679318
Energy: 0.563269500056142
Energy: 0.5433088204378598
Energy: 0.5629566517728204
Energy: 0.5571154026157484
Energy: 0.5629566517728204
Energy: 0.5370984799557176
Energy: 0.5418983804189221
Energy: 0.578572007089713
Energy: 0.5418983804237701

minimum gb energy = 0.5368177466161147 eV
minimum distance =  2.51092445367357 Angstroms
sigma value = 25


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

Energy: 0.6238406631646786
Energy: 0.5616243964763183
Energy: 0.6073838140048896
Energy: 0.6080111917508447
Energy: 0.5775037000429769
Energy: 0.5984651187232412
Energy: 0.5717816289029649
Energy: 0.5984651187240463
Energy: 0.6067687430263724
Energy: 0.6078380053012217
Energy: 0.5770073158107495
Energy: 0.6078380053012217
Energy: 0.5704182985077493
Energy: 0.5916911640104622
Energy: 0.5707169760329768
Energy: 0.5916911640112673
Energy: 0.5722344617961193
Energy: 0.59221841399969
Energy: 0.5677952741187273
Energy: 0.59221841399969
Energy: 0.591615943769054
Energy: 0.6194080589117786
Energy: 0.5731190258189709
Energy: 0.6194080589117786
Energy: 0.5799485829644023
Energy: 0.6181390613362537
Energy: 0.5763726326560386
Energy: 0.6181390613354485
Energy: 0.5823574956945233
Energy: 0.5985490214776449
Energy: 0.6050701225776426
Energy: 0.5985490214776449
Energy: 0.5806104557862404
Energy: 0.6146491138269318
Energy: 0.5811841787301889
Energy: 0.6146491138269318
Energy: 0.5915544120041141
Energy: 0.6139653533147362
Energy: 0.5966358803255166
Energy: 0.6139653533147362
Energy: 0.562103249528098
Energy: 0.5918544538852992
Energy: 0.5695977127936587
Energy: 0.5918544538852992
Energy: 0.5841265052726389
Energy: 0.5921955178417527
Energy: 0.5693494498363874
Energy: 0.5921955178417527
Energy: 0.606471566145171
Energy: 0.6083446945627814
Energy: 0.5613548465232202
Energy: 0.6083446945635864
Energy: 0.5722479792671388
Energy: 0.5929041974570249
Energy: 0.5797066622411161
Energy: 0.5929041974570249
Energy: 0.5790512087961285
Energy: 0.6085486167013975
Energy: 0.6084753883807411
Energy: 0.6085486167013975
Energy: 0.5730703173362787
Energy: 0.5662770340141127
Energy: 0.5749559049079452
Energy: 0.5662770340133075
Energy: 0.5680154744665095
Energy: 0.5934878137816852
Energy: 0.5731747625084117
Energy: 0.5934878137816852
Energy: 0.5725992207159023
Energy: 0.5927369569065442
Energy: 0.5922261321581402
Energy: 0.5927369569065442
Energy: 0.5794866860606296
Energy: 0.6205313555426072
Energy: 0.566226530437054
Energy: 0.6205313555426072
Energy: 0.6063901459186775
Energy: 0.6145835069387345
Energy: 0.5793684429539674
Energy: 0.6145835069387345
Energy: 0.5736248768973781
Energy: 0.6158262743602737
Energy: 0.5803821673501792
Energy: 0.6158262743610788
Energy: 0.5839247775530622
Energy: 0.6141859542795545
Energy: 0.5965702916515039
Energy: 0.6141859542803596
Energy: 0.5887560137599546
Energy: 0.5919146909963413
Energy: 0.6041059712280622
Energy: 0.5919146909963413
Energy: 0.5703662698774138
Energy: 0.5919032749461106
Energy: 0.5841927031830073
Energy: 0.5919032749453055
Energy: 0.5613193652644255
Energy: 0.5665362760711955
Energy: 0.5660304511829449
Energy: 0.5665362760703904

minimum gb energy = 0.5613193652644255 eV
minimum distance =  2.51710305895014 Angstroms
sigma value = 9


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

Energy: 0.6791614759092819
Energy: 0.6701340377413113
Energy: 0.6493873349271942
Energy: 0.705729215524632
Energy: 0.5972066709707992
Energy: 0.6325429886872869
Energy: 0.6228715150068977
Energy: 0.6325429886872869
Energy: 0.6473969731365811
Energy: 0.6477656818500848
Energy: 0.6113184200416439
Energy: 0.6477656818491244
Energy: 0.5950327185113845
Energy: 0.6503986712031687
Energy: 0.619717369488592
Energy: 0.6503986712031687
Energy: 0.5961494567816121
Energy: 0.6922059454357927
Energy: 0.6025512658772036
Energy: 0.6922059454367532
Energy: 0.5966801969676909
Energy: 0.6736144498625943
Energy: 0.6042402454691334
Energy: 0.6736144498625943
Energy: 0.5954774448514945
Energy: 0.6716018145185495
Energy: 0.6072668020332825
Energy: 0.6716018145185495
Energy: 0.6257970099823521
Energy: 0.633685349503566
Energy: 0.634300547419873
Energy: 0.633685349503566
Energy: 0.6260020063162969
Energy: 0.6709176988489114
Energy: 0.6053763461645338
Energy: 0.6709176988844261
Energy: 0.5874186659917283
Energy: 0.6698391158581224
Energy: 0.6054562868391811
Energy: 0.669839115859083
Energy: 0.584197698064782
Energy: 0.5753197193674923
Energy: 0.5884231730311703
Energy: 0.5753197193674923
Energy: 0.5932568494882415
Energy: 0.575532128449694
Energy: 0.5882378855495969
Energy: 0.575532128449694
Energy: 0.6700262356697503
Energy: 0.6870128598440692
Energy: 0.6112123905276675
Energy: 0.6870128598440692
Energy: 0.6200790449318118
Energy: 0.6374817309121518
Energy: 0.6131455752802872
Energy: 0.6374817309131122
Energy: 0.5936588884899301
Energy: 0.6879575524140376
Energy: 0.6106811397696839
Energy: 0.6879575524140376
Energy: 0.6200081184076724
Energy: 0.61021258103888
Energy: 0.6019605059346878
Energy: 0.6102125810398403
Energy: 0.5957681429565463
Energy: 0.6743597479646865
Energy: 0.6036502391189323
Energy: 0.6743597479646865
Energy: 0.5965535288980146
Energy: 0.6735392787292347
Energy: 0.6461400785606465
Energy: 0.6735392787292347
Energy: 0.6000567723318517
Energy: 0.632749237292793
Energy: 0.6055298704724053
Energy: 0.6327492372937534
Energy: 0.6012761529358055
Energy: 0.632604535493683
Energy: 0.6056175876951428
Energy: 0.632604535493683
Energy: 0.6104132709653718
Energy: 0.6236143880903333
Energy: 0.6439554077361813
Energy: 0.623614388081711

minimum gb energy = 0.5753197193674923 eV
minimum distance =  2.51783475997918 Angstroms
sigma value = 25


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

Energy: 0.693261259621992
Energy: 0.7245418091179849
Energy: 0.6678379415225053
Energy: 0.7296144444912466
Energy: 0.5817275580651676
Energy: 0.616526145905704
Energy: 0.596358379293683
Energy: 0.616526145905704
Energy: 0.6607706752912221
Energy: 0.734099363573358
Energy: 0.582947367028992
Energy: 0.734099363573358
Energy: 0.5844382708568312
Energy: 0.6176242437014716
Energy: 0.5970227877089076
Energy: 0.6176242437026596
Energy: 0.6016251695433049
Energy: 0.716589263973432
Energy: 0.6023144222445707
Energy: 0.716589263973432
Energy: 0.5832615589660286
Energy: 0.6485263351426084
Energy: 0.5966300770704851
Energy: 0.6485263351426084
Energy: 0.581245392077925
Energy: 0.7172328532136335
Energy: 0.5977008778245919
Energy: 0.7172328532124458
Energy: 0.5811242626266824
Energy: 0.6560502076817082
Energy: 0.5973760212035854
Energy: 0.6560502076817082
Energy: 0.6601676341603593
Energy: 0.7296166115649493
Energy: 0.5813135582199082
Energy: 0.7296166115649493
Energy: 0.5972617448520895
Energy: 0.5835790809699717
Energy: 0.5813244871809612
Energy: 0.5835790809699717
Energy: 0.5919292464553844
Energy: 0.7312647655873333
Energy: 0.6605115835263663
Energy: 0.7312647655861455
Energy: 0.5841591778119721
Energy: 0.5835905627168929
Energy: 0.5831843246142818
Energy: 0.5835905627168929
Energy: 0.5969839807930761
Energy: 0.7166988158793403
Energy: 0.6005378368092524
Energy: 0.7166988158781523
Energy: 0.5977172068943833
Energy: 0.6488468236131909
Energy: 0.5845949260658472
Energy: 0.6488468236131909
Energy: 0.6372691517671559
Energy: 0.6489087179104909
Energy: 0.5813802669353262
Energy: 0.6489087179104909
Energy: 0.5962541441345843
Energy: 0.7186726113955431
Energy: 0.5815494279959076
Energy: 0.7186726113955431
Energy: 0.5838234321075129
Energy: 0.5834523210611771
Energy: 0.5847609109181595
Energy: 0.5834523210623649

minimum gb energy = 0.5811242626266824 eV
minimum distance =  2.61018566490766 Angstroms
sigma value = 17


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

Energy: 0.9751947497816732
Energy: 0.678230097179923
Energy: 0.7237116448508214
Energy: 0.7693695143993695
Energy: 0.5937752346382361
Energy: 0.6668705539677061
Energy: 0.6279446268290481
Energy: 0.6668705539677061
Energy: 0.6400753227342104
Energy: 0.7203443073980087
Energy: 0.6611758451231143
Energy: 0.7203443073966633
Energy: 0.6281292453271108
Energy: 0.6685627658508476
Energy: 0.6278936662283003
Energy: 0.6685627658501749
Energy: 0.6525617219546392
Energy: 0.7067960224608137
Energy: 0.6335638956674152
Energy: 0.7067960224608137
Energy: 0.6295806343040606
Energy: 0.6767393979654539
Energy: 0.6522576917580085
Energy: 0.6767393979647812
Energy: 0.6601028855403482
Energy: 0.6358877042087449
Energy: 0.6370745521977671
Energy: 0.6358877042080721
Energy: 0.6649981829159202
Energy: 0.6276128828796956
Energy: 0.6066886539283951
Energy: 0.627612882879023
Energy: 0.7216334438664826
Energy: 0.7189862405123599
Energy: 0.6643400556621833
Energy: 0.7189862412305009
Energy: 0.6985254723507177
Energy: 0.6678447928777314
Energy: 0.6284548821503331
Energy: 0.6678447928777314
Energy: 0.6693815085081665
Energy: 0.748605183383617
Energy: 0.6195949567530714
Energy: 0.748605183383617
Energy: 0.6650258577714588
Energy: 0.6453539937020796
Energy: 0.6154385940649568
Energy: 0.6453539937027523
Energy: 0.6623771971114484
Energy: 0.6306440900445154
Energy: 0.6224303410247181
Energy: 0.6306440900438427
Energy: 0.6611786921044225
Energy: 0.715011150631533
Energy: 0.6057158757898089
Energy: 0.7150111506322058
Energy: 0.7003003167248227
Energy: 0.661557337423137
Energy: 0.660097435738541
Energy: 0.661557337423137
Energy: 0.7105629364395726
Energy: 0.7078373448050271
Energy: 0.6602755355836153
Energy: 0.707837344874285
Energy: 0.6605616633575555
Energy: 0.6278386013363213
Energy: 0.6443812721550575
Energy: 0.6278386013363213
Energy: 0.6607682551604818
Energy: 0.6279766921181229
Energy: 0.6350560187013831
Energy: 0.6279766921181229
Energy: 0.6328515302617055
Energy: 0.6772028477955886
Energy: 0.6520947575264263
Energy: 0.6772028477955886
Energy: 0.6491595928715148
Energy: 0.7065164405312186
Energy: 0.6528485756918734
Energy: 0.7065164405312186
Energy: 0.6291357773966312
Energy: 0.665038338472584
Energy: 0.6616482843134718
Energy: 0.6650383384719113
Energy: 0.6466307426007799
Energy: 0.7594069640924811
Energy: 0.7880070330599586
Energy: 0.7594069640924811
Energy: 0.6276098526856584
Energy: 0.6839427644577682
Energy: 0.7033975345216203
Energy: 0.6839427644597864
Energy: 0.6644862443379462
Energy: 0.7185308341632323
Energy: 0.7154252144132449
Energy: 0.7185308342217268
Energy: 0.6074122586532616
Energy: 0.6281425352284913
Energy: 0.6616373032669031
Energy: 0.6281425351484702
Energy: 0.6150297113687809
Energy: 0.6234763390451543
Energy: 0.6494313792765469
Energy: 0.623476339048518
Energy: 0.6052378239998293
Energy: 0.6328891670181025
Energy: 0.6607914777300161
Energy: 0.6328891670174298
Energy: 0.6153267079650078
Energy: 0.7485768298496256
Energy: 0.6623612947909541
Energy: 0.7485768298502984
Energy: 0.6595490136348375
Energy: 0.667355747696503
Energy: 0.6608290676251913
Energy: 0.667355747696503
Energy: 0.6598256235333325
Energy: 0.7532414530540591
Energy: 0.723336957081903
Energy: 0.7532414530533863

minimum gb energy = 0.5937752346382361 eV
minimum distance =  2.54172300266939 Angstroms
sigma value = 53


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

Energy: 0.8606633317578513
Energy: 0.7408492380237953
Energy: 0.6575027116639544
Energy: 0.7406267901638839
Energy: 0.7944427233796424
Energy: 0.5825388919191762
Energy: 0.6758864111285018
Energy: 0.5825388919191762
Energy: 0.6473872898358715
Energy: 0.7404059309667501
Energy: 0.7050266426831958
Energy: 0.7404059309667501
Energy: 0.6736433522630235
Energy: 0.5829155064326202
Energy: 0.6742075516129099
Energy: 0.5829155064310715
Energy: 0.6836717325410188
Energy: 0.5822650975685137
Energy: 0.5504384925105502
Energy: 0.5822650975685137
Energy: 0.6734611214488808
Energy: 0.5834065401677065
Energy: 0.5504696027303734
Energy: 0.5834065401661579
Energy: 0.7925052118863294
Energy: 0.6469903193996128
Energy: 0.6552131960566238
Energy: 0.6469903193996128
Energy: 0.7922181342224119
Energy: 0.583084908705379
Energy: 0.6739974539465563
Energy: 0.583084908705379
Energy: 0.6615437213649219
Energy: 0.7404982200326802
Energy: 0.6932215724557346
Energy: 0.7404982200326802
Energy: 0.6736136424068752
Energy: 0.5829575767796306
Energy: 0.675159139460578
Energy: 0.5829575767796306
Energy: 0.6847372985954746
Energy: 0.6599009938879464
Energy: 0.5505472633532386
Energy: 0.6599009938879464
Energy: 0.6762765240547485
Energy: 0.6584509590540111
Energy: 0.5532894769882282
Energy: 0.6584509590540111
Energy: 0.7921575125741119
Energy: 0.5839791478885479
Energy: 0.6733189503427254
Energy: 0.5839791478885479

minimum gb energy = 0.5504384925105502 eV
minimum distance =  2.59332482174879 Angstroms
sigma value = 9


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

Energy: 0.8218788960935866
Energy: 0.7124956785351821
Energy: 0.7448850019924879
Energy: 0.7445814132638916
Energy: 0.6972223144336079
Energy: 0.6178316076369297
Energy: 0.8202362289746984
Energy: 0.6178316076369297
Energy: 0.6318511711843707
Energy: 0.6439322165940675
Energy: 0.7657073962978492
Energy: 0.6439322162886867
Energy: 0.6211162866582077
Energy: 0.6178962370337988
Energy: 0.8128091325350001
Energy: 0.6178962370343721
Energy: 0.6233234906833557
Energy: 0.6176964853718048
Energy: 0.8276516085999454
Energy: 0.617696485372378
Energy: 0.6490640282572857
Energy: 0.6173601076668304
Energy: 0.7549005093618467
Energy: 0.6173601076668304
Energy: 0.8384310166636021
Energy: 0.7442424358359817
Energy: 0.7529231071865709
Energy: 0.7442424358520311
Energy: 0.7823186989037388
Energy: 0.6821966033731417
Energy: 0.7539200080968124
Energy: 0.6821966033725685
Energy: 0.6628930409500845
Energy: 0.7451277708159729
Energy: 0.6585054141270535
Energy: 0.7451277708171193
Energy: 0.6073031626027744
Energy: 0.6605320833166762
Energy: 0.703749021246775
Energy: 0.6605320833172494
Energy: 0.6641978307331845
Energy: 0.6774851824006808
Energy: 0.8211264635836637
Energy: 0.6774851824006808
Energy: 0.6874107897788723
Energy: 0.6772163477747648
Energy: 0.8243136512199775
Energy: 0.6772163478217404
Energy: 0.8033396235817452
Energy: 0.6763202946578831
Energy: 0.7117803745736413
Energy: 0.6763202946567367
Energy: 0.8394665257777542
Energy: 0.6660383800225216
Energy: 0.6754147300303845
Energy: 0.6660383800230947
Energy: 0.7573604326271112
Energy: 0.6593481909112431
Energy: 0.6306803420506725
Energy: 0.65934819091067
Energy: 0.7091208206501319
Energy: 0.673278711076666
Energy: 0.6609213019284612
Energy: 0.673278711076666
Energy: 0.7039484194735992
Energy: 0.6795307112350658
Energy: 0.669815510045427
Energy: 0.6795307112339195
Energy: 0.7448040276235395
Energy: 0.7434207121189339
Energy: 0.8224440503750934
Energy: 0.7434207119436156
Energy: 0.7611513192450459
Energy: 0.617743306341494
Energy: 0.6978463076115652
Energy: 0.617743306341494
Energy: 0.7651700859584238
Energy: 0.6558163099143246
Energy: 0.634837323817882
Energy: 0.6558163119619995
Energy: 0.8144514156749257
Energy: 0.618307443817108
Energy: 0.6199898688208426
Energy: 0.6183074438176813
Energy: 0.7562074241413249
Energy: 0.6174482249468835
Energy: 0.6223306913018128
Energy: 0.6174482249468835
Energy: 0.8291395964940237
Energy: 0.6179435323656518
Energy: 0.6486940079792184
Energy: 0.6179435323656518
Energy: 0.7505777800978394
Energy: 0.6987971713731208
Energy: 0.8379794765632367
Energy: 0.6987971713736939
Energy: 0.741426176088069
Energy: 0.68274986800338
Energy: 0.7490021289831634
Energy: 0.6827498680039531
Energy: 0.6599307391542591
Energy: 0.7459509776839759
Energy: 0.6649201811111818
Energy: 0.7459509776834027
Energy: 0.7018232922527284
Energy: 0.660503240460384
Energy: 0.607016436516175
Energy: 0.660503240460384
Energy: 0.8192001694885349
Energy: 0.6773440402115918
Energy: 0.6650992175029992
Energy: 0.6773440402110186
Energy: 0.8228964242577207
Energy: 0.7061380714357446
Energy: 0.6867978956545179
Energy: 0.7061380714357446
Energy: 0.6834482298255958
Energy: 0.676340697377685
Energy: 0.7543311052577173
Energy: 0.6763406973771118
Energy: 0.681561353265926
Energy: 0.6724136578912285
Energy: 0.7675708263380315
Energy: 0.6724136578912285
Energy: 0.6401082979087938
Energy: 0.6758690807237471
Energy: 0.7592017136173452
Energy: 0.6758690807237471
Energy: 0.6641999102887541
Energy: 0.6729926177355774
Energy: 0.7113355501176476
Energy: 0.6729926177344311
Energy: 0.6686037694719008
Energy: 0.679901362076295
Energy: 0.6493387890923925
Energy: 0.6799013620751487
Energy: 0.8235165744614518
Energy: 0.7438851179457499
Energy: 0.7490393102298462
Energy: 0.7438851179446035

minimum gb energy = 0.607016436516175 eV
minimum distance =  2.51718309897893 Angstroms
sigma value = 73


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

Energy: 0.8620303775144651
Energy: 0.7001056001468635
Energy: 0.7304519734886862
Energy: 0.7304189956923448
Energy: 0.6965531107162083
Energy: 0.6325637462506664
Energy: 0.706325912047153
Energy: 0.6325637462506664
Energy: 0.6535998954854799
Energy: 0.6537220908633554
Energy: 0.7300126218335437
Energy: 0.6537220907188205
Energy: 0.6263756314153311
Energy: 0.6282005668165325
Energy: 0.7141085996045357
Energy: 0.6282005668156231
Energy: 0.6387202640491487
Energy: 0.6082156874089716
Energy: 0.8023763826579634
Energy: 0.6082156874098811
Energy: 0.6540034304597293
Energy: 0.6076443968395843
Energy: 0.8022331518360007
Energy: 0.6076443968395843
Energy: 0.7891176559609037
Energy: 0.7388526283398397
Energy: 0.746468542931777
Energy: 0.7388526283398397
Energy: 0.739672066090218
Energy: 0.6798431638995864
Energy: 0.7393359483579466
Energy: 0.6798431638995864
Energy: 0.6481279565952671
Energy: 0.7323847428393543
Energy: 0.7386451603361479
Energy: 0.7323847428393543
Energy: 0.6480718441284892
Energy: 0.6845684471757889
Energy: 0.6749931700332406
Energy: 0.6845684471748795
Energy: 0.6769556543786663
Energy: 0.6400762581100287
Energy: 0.6602465020213246
Energy: 0.6400762581100287
Energy: 0.6840536780006495
Energy: 0.7043676056670973
Energy: 0.7699795102096341
Energy: 0.7043676056670973
Energy: 0.7411231273857176
Energy: 0.6622002948125827
Energy: 0.7177535986303001
Energy: 0.6622002948134921
Energy: 0.7290712965179077
Energy: 0.6837753030936856
Energy: 0.6896089755428405
Energy: 0.683775303094595
Energy: 0.7000419793436139
Energy: 0.6657219681209781
Energy: 0.6542424922787322
Energy: 0.6657219681209781
Energy: 0.8018562306662552
Energy: 0.6631859860324428
Energy: 0.6641174057616894
Energy: 0.6631859860333521
Energy: 0.7425397243773946
Energy: 0.6672417010366407
Energy: 0.6761729695691501
Energy: 0.6672417010375502
Energy: 0.7259427846623853
Energy: 0.7246801724014189
Energy: 0.8168764530967313
Energy: 0.7246801724014189
Energy: 0.6691746564019936
Energy: 0.6597701540592467
Energy: 0.7557649316780243
Energy: 0.6597701540592467
Energy: 0.698594811552854
Energy: 0.6961531112229454
Energy: 0.6836568878713535
Energy: 0.696153111222036
Energy: 0.6717107221159397
Energy: 0.6957818912092408
Energy: 0.6476924430006433
Energy: 0.6957818912092408
Energy: 0.8005304457642084
Energy: 0.7170155195577549
Energy: 0.7252052150535471
Energy: 0.7170155195586645

minimum gb energy = 0.6076443968395843 eV
minimum distance =  2.47153641224448 Angstroms
sigma value = 7


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

Energy: 0.9893648145066194
Energy: 0.6767610898949549
Energy: 0.7435766209642696
Energy: 0.7273401016613565
Energy: 0.7366494658723363
Energy: 0.6185301537469751
Energy: 0.7171987367973165
Energy: 0.6185301537469751
Energy: 0.6442984116295936
Energy: 0.6189373458640947
Energy: 0.6743879653993121
Energy: 0.6189373458647378
Energy: 0.6187390669223347
Energy: 0.6183111588647607
Energy: 0.6944636132746338
Energy: 0.6183111588634747
Energy: 0.6424048589846298
Energy: 0.6294088985484061
Energy: 0.7327639860847738
Energy: 0.6294088985484061
Energy: 0.6577073537964265
Energy: 0.6192811773402866
Energy: 0.7340207385435727
Energy: 0.6192811773402866
Energy: 0.7524863258449682
Energy: 0.6431606043618665
Energy: 0.6666394469303226
Energy: 0.6431579338275552
Energy: 0.68479236932277
Energy: 0.6194198418982452
Energy: 0.6574981267418852
Energy: 0.6194198419001744
Energy: 0.655517817804471
Energy: 0.6177747977407406
Energy: 0.6251200510139335
Energy: 0.6177747977394545
Energy: 0.730367497849121
Energy: 0.7621182880894473
Energy: 0.6497571642038817
Energy: 0.7621182880894473
Energy: 0.7280511596084418
Energy: 0.6479669019101242
Energy: 0.7007850382559406
Energy: 0.647966901907552
Energy: 0.7244793190141293
Energy: 0.7010937418432887
Energy: 0.7510956530633344
Energy: 0.7010937418445747
Energy: 0.6813633512501107
Energy: 0.647803228165906
Energy: 0.6788941042500837
Energy: 0.647803228165263
Energy: 0.6775922242635085
Energy: 0.6474413025809603
Energy: 0.6230358724676422
Energy: 0.6474413025790312
Energy: 0.6278287997531107
Energy: 0.645974320802296
Energy: 0.627048282158954
Energy: 0.645974320801653
Energy: 0.7728192876274752
Energy: 0.7217406933571429
Energy: 0.7255614905300188
Energy: 0.7217406919031983
Energy: 0.7234475065018823
Energy: 0.6484198771259254
Energy: 0.6569385708795707
Energy: 0.6484198771259254
Energy: 0.6533503737507261
Energy: 0.7626279595712998
Energy: 0.6744887803028127
Energy: 0.762627959571943
Energy: 0.6236399508668924
Energy: 0.6177297866992864
Energy: 0.6878875946641679
Energy: 0.6177297867005724
Energy: 0.6595514576945616
Energy: 0.6191917441089724
Energy: 0.668587116208607
Energy: 0.6191917441096154
Energy: 0.6505222861216936
Energy: 0.6183887105250128
Energy: 0.7312159400575092
Energy: 0.6183887105237266
Energy: 0.7535440393065892
Energy: 0.6290480774668473
Energy: 0.6852312651378565
Energy: 0.6290480774681335
Energy: 0.7536832468950845
Energy: 0.6287596698410546
Energy: 0.6414809481182823
Energy: 0.6287596698410546
Energy: 0.6904574923944078
Energy: 0.6176799431076359
Energy: 0.6192506837127423
Energy: 0.6176799431082789
Energy: 0.7313130494625296
Energy: 0.61857784780912
Energy: 0.6193252404631104
Energy: 0.6185778478097631
Energy: 0.7293213967113155
Energy: 0.6181588508237753
Energy: 0.628473150334767
Energy: 0.6181588508231323
Energy: 0.7447237648489304
Energy: 0.7300843520244986
Energy: 0.8589346631925235
Energy: 0.7300843520244986
Energy: 0.6769743611882003
Energy: 0.6465476628447714
Energy: 0.6279385772043284
Energy: 0.6465476628454144
Energy: 0.6759866135124569
Energy: 0.6462556022037391
Energy: 0.6262567989205294
Energy: 0.646255602202453
Energy: 0.6831644860407485
Energy: 0.6817760371993506
Energy: 0.6229043697697627
Energy: 0.6817760372006368
Energy: 0.7944997525011865
Energy: 0.6493921226224408
Energy: 0.7291493564674182
Energy: 0.6493921226243701

minimum gb energy = 0.6176799431076359 eV
minimum distance =  2.49756656153344 Angstroms
sigma value = 29


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

Energy: 0.5492309548329415
Energy: 0.5491682419381559
Energy: 0.6565599585741668
Energy: 0.6826380788041473
Energy: 0.5706304938530611
Energy: 0.6049794291968646
Energy: 0.5596854810112487
Energy: 0.6049794291966407
Energy: 0.6466682826579617
Energy: 0.5588201569567312
Energy: 0.5541425278067201
Energy: 0.5588201569562832
Energy: 0.5492889962715091
Energy: 0.5840726349660115
Energy: 0.5609089260900916
Energy: 0.5840726349655884
Energy: 0.6550903575346914
Energy: 0.5590264502450438
Energy: 0.5489772401585139
Energy: 0.559026450245691
Energy: 0.6527538198316298
Energy: 0.5837530507843949
Energy: 0.5490894753967261
Energy: 0.5837530507841711
Energy: 0.553351119711121
Energy: 0.5860664272463367
Energy: 0.6463278729165941
Energy: 0.5860664272465607
Energy: 0.5600117390534539
Energy: 0.605385904645671
Energy: 0.5491292791467653
Energy: 0.605385904645024
Energy: 0.5498927148072811
Energy: 0.5592889027621835
Energy: 0.5598217119709538
Energy: 0.5592889027621835

minimum gb energy = 0.5489772401585139 eV
minimum distance =  2.55826237652748 Angstroms
sigma value = 5


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

Energy: 0.7474537100002822
Energy: 0.6101907035581376
Energy: 0.6979100224336927
Energy: 0.6963221893717432
Energy: 0.6245225589056075
Energy: 0.5753401927181948
Energy: 0.6705469290732292
Energy: 0.5753401927181948
Energy: 0.6704670821220213
Energy: 0.6677666830800154
Energy: 0.6654790999644794
Energy: 0.6677666830788005
Energy: 0.5787031752123407
Energy: 0.5746442122324239
Energy: 0.6410039344360862
Energy: 0.5746442122324239
Energy: 0.627607735759392
Energy: 0.598232787357335
Energy: 0.6666265834150867
Energy: 0.5982327873579423
Energy: 0.5983938830146867
Energy: 0.5991453415805218
Energy: 0.6751509499711527
Energy: 0.5991453415805218
Energy: 0.5745868713735652
Energy: 0.574869311682906
Energy: 0.6414879521700145
Energy: 0.574869311682906
Energy: 0.5745506792328037
Energy: 0.574902344526255
Energy: 0.749910846092582
Energy: 0.5749023445250401
Energy: 0.631990857087885
Energy: 0.6574028655778681
Energy: 0.7540026304087117
Energy: 0.6574028655778681
Energy: 0.66278154659363
Energy: 0.5798011506313973
Energy: 0.594582938174055
Energy: 0.5798011506313973
Energy: 0.630714858866809
Energy: 0.5707423665963095
Energy: 0.5719479176476271
Energy: 0.5707423665963095
Energy: 0.7680636485364358
Energy: 0.5707995335240712
Energy: 0.5709281815808304
Energy: 0.5707995335240712
Energy: 0.7518519865063521
Energy: 0.6550599286296879
Energy: 0.5929132525661572
Energy: 0.6550599286302954
Energy: 0.6111646002746338
Energy: 0.6575217837264586
Energy: 0.6658708033202436
Energy: 0.6575217837258511
Energy: 0.5762714928035917
Energy: 0.594242204500543
Energy: 0.6756954313272691
Energy: 0.5942422044999356
Energy: 0.5779692285609811
Energy: 0.5743720748613657
Energy: 0.6419762702657617
Energy: 0.5743720748607583
Energy: 0.6982102495363852
Energy: 0.6088860498814289
Energy: 0.5796657121347674
Energy: 0.6088860498850736
Energy: 0.6863070294795176
Energy: 0.5749259901535552
Energy: 0.6375865081459583
Energy: 0.5749259901535552
Energy: 0.6636579898701899
Energy: 0.6677824139288902
Energy: 0.6715551958759637
Energy: 0.6677824140126895
Energy: 0.6863639432566194
Energy: 0.5745106923520362
Energy: 0.5769668845310373
Energy: 0.5745106923514288
Energy: 0.6759213928538829
Energy: 0.6053688496109498
Energy: 0.6406104974773704
Energy: 0.6053688496103424
Energy: 0.6661654098353758
Energy: 0.6263383377620475
Energy: 0.5995906322833933
Energy: 0.626338337762655
Energy: 0.6409287419803952
Energy: 0.5746070079942218
Energy: 0.5757733700458589
Energy: 0.5746070079936144
Energy: 0.7528325366664511
Energy: 0.5747756962560168
Energy: 0.5742283818493943
Energy: 0.5747756962560168
Energy: 0.7688613724924555
Energy: 0.6574294693914505
Energy: 0.6305590075537401
Energy: 0.6574294693914505
Energy: 0.5935707774273625
Energy: 0.6986029935103023
Energy: 0.6622572996274833
Energy: 0.6986023955569942
Energy: 0.5738331114819933
Energy: 0.5706969047527377
Energy: 0.6310632449700392
Energy: 0.5706969047527377
Energy: 0.5713634047417457
Energy: 0.5741084146338551
Energy: 0.576305851137987
Energy: 0.5741084146338551
Energy: 0.5937079837944412
Energy: 0.6641801196543102
Energy: 0.7496101091802905
Energy: 0.6641801196549177
Energy: 0.6760299752654322
Energy: 0.6574256708111155
Energy: 0.6284920396509007
Energy: 0.6574256708111155
Energy: 0.6670683526631226
Energy: 0.5941739764442592
Energy: 0.5762533643563759
Energy: 0.5941739764436518
Energy: 0.6413835953647273
Energy: 0.5743701681445746
Energy: 0.5757682327289907
Energy: 0.5743701681433598
Energy: 0.5781133187411055
Energy: 0.5870515126356667
Energy: 0.7020054623423332
Energy: 0.5870515126356667

minimum gb energy = 0.5706969047527377 eV
minimum distance =  2.49788467583625 Angstroms
sigma value = 1


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

Energy: 0.8748097007534019
Energy: 0.6560761215869694
Energy: 0.6964708954659561
Energy: 0.6889091786241649
Energy: 0.5541549650857271
Energy: 0.5561801647381034
Energy: 0.6319339062130682
Energy: 0.5561801647372635
Energy: 0.634691411713874
Energy: 0.5977995120297189
Energy: 0.6819583065556135
Energy: 0.5977995120305588
Energy: 0.6146790132157011
Energy: 0.6476787220340289
Energy: 0.6431204032473666
Energy: 0.6476787220340289
Energy: 0.6637054156150214
Energy: 0.5848401849556496
Energy: 0.6414642078501225
Energy: 0.5848401849556496
Energy: 0.5834571655748648
Energy: 0.5851300174516959
Energy: 0.6449487117253998
Energy: 0.5851300174516959
Energy: 0.5583952245577404
Energy: 0.558350190139917
Energy: 0.64281725360378
Energy: 0.558350190139917
Energy: 0.557922590893331
Energy: 0.5584604265086363
Energy: 0.7447659201163503
Energy: 0.5584604265086363
Energy: 0.6016930867305893
Energy: 0.5915114521285183
Energy: 0.6617493237237347
Energy: 0.5915114521293582
Energy: 0.7315406642232696
Energy: 0.6619032078033298
Energy: 0.606101128015403
Energy: 0.6619032071241652
Energy: 0.5983196137713209
Energy: 0.5504301490819897
Energy: 0.6097520862025311
Energy: 0.5504301490819897
Energy: 0.7947701909940713
Energy: 0.5503194120410437
Energy: 0.5803509249401052
Energy: 0.5503194120410437
Energy: 0.7935837847155331
Energy: 0.5434212401372629
Energy: 0.6259001461265058
Energy: 0.5434212401389427
Energy: 0.598373510393251
Energy: 0.5436605983208544
Energy: 0.735230876628727
Energy: 0.5436605983208544
Energy: 0.6120910137805856
Energy: 0.6325872946140534
Energy: 0.7367315724800501
Energy: 0.6325872946132135
Energy: 0.6198376966572379
Energy: 0.5590145013016077
Energy: 0.6402361263807695
Energy: 0.5590145013016077
Energy: 0.7204829681555783
Energy: 0.6810717580560407
Energy: 0.6222998724527408
Energy: 0.6810723613918128
Energy: 0.5887439118994032
Energy: 0.5584573807489686
Energy: 0.6422788967073801
Energy: 0.5584573807498087
Energy: 0.5612438481464596
Energy: 0.5585455488676438
Energy: 0.6712053372158885
Energy: 0.5585455488684837
Energy: 0.5858389235228001
Energy: 0.5890027442942422
Energy: 0.8769534503133728
Energy: 0.5890027442942422
Energy: 0.7435200044859089
Energy: 0.5901737118718857
Energy: 0.6368060462779461
Energy: 0.5901737118718857
Energy: 0.731523937817401
Energy: 0.5564835923269444
Energy: 0.5563399498739521
Energy: 0.5564835923269444
Energy: 0.6761339632851303
Energy: 0.5567077612701229
Energy: 0.5576340754399957
Energy: 0.5567077612692831
Energy: 0.7368279386033314
Energy: 0.5721436577901727
Energy: 0.6763312822061945
Energy: 0.5721436577910125

minimum gb energy = 0.5434212401372629 eV
minimum distance =  2.49644036818785 Angstroms
sigma value = 17


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

Energy: 0.8400079473324561
Energy: 0.577042687936782
Energy: 0.6718133134752698
Energy: 0.682596884513759
Energy: 0.5541943653012921
Energy: 0.5427038291444304
Energy: 0.6115581218873236
Energy: 0.5427038291449494
Energy: 0.6704538107401237
Energy: 0.5425657485998253
Energy: 0.6191471581198206
Energy: 0.5425657485993061
Energy: 0.6896153874720602
Energy: 0.5400412607579448
Energy: 0.6293759986807733
Energy: 0.5400412607579448
Energy: 0.5838337831045728
Energy: 0.5406324242945831
Energy: 0.7027615661525175
Energy: 0.5406324242930258
Energy: 0.5560719369201104
Energy: 0.5407272127011429
Energy: 0.6814754944654604
Energy: 0.5407272127011429
Energy: 0.5407683625177925
Energy: 0.5400522796529856
Energy: 0.6294277304448586
Energy: 0.5400522796540238
Energy: 0.5469483736096337
Energy: 0.5408146537481026
Energy: 0.8414799018320761
Energy: 0.5408146537481026
Energy: 0.6595263514499978
Energy: 0.5404338218548216
Energy: 0.6681977923785267
Energy: 0.5404338218527452
Energy: 0.6163299800218561
Energy: 0.5671672375538471
Energy: 0.602832018995142
Energy: 0.5671672375528091
Energy: 0.6581306294908771
Energy: 0.5429907559659602
Energy: 0.5440087722042981
Energy: 0.542990755964922
Energy: 0.6815913674424193
Energy: 0.5486506571935753
Energy: 0.6011813114410014
Energy: 0.5486506571935753
Energy: 0.6818937544395673
Energy: 0.5431314752508342
Energy: 0.5629348347820151
Energy: 0.5431314752513532
Energy: 0.6243478696304277
Energy: 0.5428640983862154
Energy: 0.5445481318348513
Energy: 0.5428640983862154
Energy: 0.6926000411967888
Energy: 0.5433184037932407
Energy: 0.5471634027660242
Energy: 0.5433184037932407
Energy: 0.6901219410381846
Energy: 0.5618489174375733
Energy: 0.6240322676813596
Energy: 0.5618489174370541
Energy: 0.5434030918766519
Energy: 0.5440863819963292
Energy: 0.7643341081642467
Energy: 0.5440863819973674
Energy: 0.5448322999409559
Energy: 0.5432362975099562
Energy: 0.685712355567411
Energy: 0.5432362975104753
Energy: 0.5733139479966196
Energy: 0.5431508760254408
Energy: 0.6671945074663314
Energy: 0.5431508760249216
Energy: 0.6732730912891756
Energy: 0.6807049172237922
Energy: 0.8407808558205713
Energy: 0.6807053662790746
Energy: 0.6262527857535356
Energy: 0.542774192309108
Energy: 0.7226289465126337
Energy: 0.5427741923096271
Energy: 0.6224057276536189
Energy: 0.5425854506032994
Energy: 0.6979293851624734
Energy: 0.5425854506022612
Energy: 0.611410714810431
Energy: 0.5399062430104702
Energy: 0.6928146293930735
Energy: 0.5399062430109894
Energy: 0.7673675355088406
Energy: 0.5403149356925296
Energy: 0.5407850585002839
Energy: 0.5403149356935678
Energy: 0.6836872779228603
Energy: 0.5521416635545325
Energy: 0.553965969472755
Energy: 0.5521416635545325
Energy: 0.6276514276070195
Energy: 0.5401747764581991
Energy: 0.5427454903550506
Energy: 0.5401747764581991
Energy: 0.8400483172878653
Energy: 0.5409563379447112
Energy: 0.5458583626876344
Energy: 0.5409563379540554
Energy: 0.6673410794744222
Energy: 0.5401456999839468
Energy: 0.6855489137163049
Energy: 0.5401456999844659
Energy: 0.6128753521226867
Energy: 0.6380941618065036
Energy: 0.6176515314624503
Energy: 0.6380941618059844
Energy: 0.544936096399977
Energy: 0.5429473128030239
Energy: 0.656406964852834
Energy: 0.5429473128030239
Energy: 0.600933025981782
Energy: 0.5815261612966542
Energy: 0.6815681949476063
Energy: 0.5815261612945778
Energy: 0.562098288568685
Energy: 0.5429785021253576
Energy: 0.6819147835695099
Energy: 0.5429785021248386
Energy: 0.5429613058183363
Energy: 0.5424834707525489
Energy: 0.6814105110873919
Energy: 0.5424834707520299
Energy: 0.5494785994875017
Energy: 0.5435030670372704
Energy: 0.6901453285953204
Energy: 0.5435030670372704
Energy: 0.6837177962232694
Energy: 0.5612756502569892
Energy: 0.690401929512883
Energy: 0.5612756502585465
Energy: 0.7639162607753858
Energy: 0.543657102041611
Energy: 0.5442656917131558
Energy: 0.5436571020405727
Energy: 0.6838445390505309
Energy: 0.542875002589968
Energy: 0.5431685024177489
Energy: 0.542875002589968
Energy: 0.6682899505083323
Energy: 0.5596857176492099
Energy: 0.5731231497970702
Energy: 0.5596857176497291

minimum gb energy = 0.5399062430104702 eV
minimum distance =  2.51010625111653 Angstroms
sigma value = 89


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

Energy: 0.8707747606785288
Energy: 0.5144230211389672
Energy: 0.6463287922415885
Energy: 0.6305076041482857
Energy: 0.694818439944272
Energy: 0.6115634726713671
Energy: 0.5917573255811703
Energy: 0.6115634726713671
Energy: 0.481960343361355
Energy: 0.6113019530463788
Energy: 0.6068458555519815
Energy: 0.6113019530463788
Energy: 0.4842450632726323
Energy: 0.4854767297552066
Energy: 0.5927479778424737
Energy: 0.4854767297552066
Energy: 0.5015126016495579
Energy: 0.6083575336663802
Energy: 0.6066914331664139
Energy: 0.6083575336663802
Energy: 0.48687655597706087
Energy: 0.6088465980150078
Energy: 0.605712955191609
Energy: 0.6088465980136496
Energy: 0.48623145330490736
Energy: 0.4849817572175023
Energy: 0.6096034023648899
Energy: 0.4849817572175023
Energy: 0.6313265123626977
Energy: 0.4854511181467446
Energy: 0.6945525088451212
Energy: 0.48545111814538633
Energy: 0.5921787578196183
Energy: 0.6083267686725453
Energy: 0.6948910861692332
Energy: 0.6083267686725453
Energy: 0.6779292832421241
Energy: 0.5252535526741089
Energy: 0.6076800066845288
Energy: 0.5252535526727504
Energy: 0.6091271839025293
Energy: 0.5241028268100282
Energy: 0.481888823727974
Energy: 0.5241028268100282
Energy: 0.6051002689722701
Energy: 0.4861242843121371
Energy: 0.48651880677666676
Energy: 0.4861242843121371
Energy: 0.6039111847713927
Energy: 0.6095625163482785
Energy: 0.629654797889306
Energy: 0.6095625163482785
Energy: 0.6070907245804371
Energy: 0.48515420031508105
Energy: 0.4852927630463958
Energy: 0.48515420031508105
Energy: 0.6946554882313817
Energy: 0.4853267840504533
Energy: 0.4849776378097279
Energy: 0.4853267840504533

minimum gb energy = 0.481888823727974 eV
minimum distance =  2.52987286120478 Angstroms
sigma value = 13


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

Energy: 0.7710135617479362
Energy: 0.4896169454597634
Energy: 0.6340344394013476
Energy: 0.6441153684184012
Energy: 0.6747779878498085
Energy: 0.4753830783649871
Energy: 0.5459883104478778
Energy: 0.47538307836441784
Energy: 0.6778053912777037
Energy: 0.4749184764238884
Energy: 0.5470790391157528
Energy: 0.4749184764238884
Energy: 0.612517599296392
Energy: 0.5000289209981915
Energy: 0.525461967978181
Energy: 0.5000289209976222
Energy: 0.5401357272200416
Energy: 0.499273279246492
Energy: 0.6504840570062715
Energy: 0.4992732792453534
Energy: 0.5450599709802185
Energy: 0.4754044183627563
Energy: 0.6464052662591402
Energy: 0.47540441836161773
Energy: 0.54395410365207
Energy: 0.47534615464848257
Energy: 0.6237684606692214
Energy: 0.4753461546473439
Energy: 0.6362342865842675
Energy: 0.4758972677379906
Energy: 0.7312965939980648
Energy: 0.4758972677351441
Energy: 0.49056445277734795
Energy: 0.48921076300776956
Energy: 0.7307469380996792
Energy: 0.4892107630066309
Energy: 0.47759097538449613
Energy: 0.4754005325932291
Energy: 0.7350541160507448
Energy: 0.47540053259550635
Energy: 0.47549604369609955
Energy: 0.4755735743539573
Energy: 0.7709850543972527
Energy: 0.47557357434370984
Energy: 0.6278699047293135
Energy: 0.4756440846315438
Energy: 0.6293285364446961
Energy: 0.4756440846315438
Energy: 0.6512038421696894
Energy: 0.4789595553670554
Energy: 0.6460450823825217
Energy: 0.47895955536648616
Energy: 0.6241707332773613
Energy: 0.47546839815419106
Energy: 0.6127087676736335
Energy: 0.4754683981558989
Energy: 0.7303410451691823
Energy: 0.4762436077623096
Energy: 0.5278105319992429
Energy: 0.4762436077623096
Energy: 0.7305336938939455
Energy: 0.47615028877137927
Energy: 0.47557347942060235
Energy: 0.4761502887696713
Energy: 0.6235713269913562
Energy: 0.4754914309479811
Energy: 0.47825013039744524
Energy: 0.47549143094741175
Energy: 0.7719015391399302
Energy: 0.47556874841589714
Energy: 0.6257134044160393
Energy: 0.47556874841589714
Energy: 0.7878475569326239
Energy: 0.48880907297648435
Energy: 0.524538624919725
Energy: 0.48880907297648435
Energy: 0.7348554723588976
Energy: 0.47657747975932035
Energy: 0.5435814715949624
Energy: 0.4765774797604589
Energy: 0.6115876541694795
Energy: 0.47575320452247466
Energy: 0.5247572467687196
Energy: 0.4757532045241825
Energy: 0.6285136254163656
Energy: 0.49761726324810235
Energy: 0.6460644504029404
Energy: 0.49761726324810235
Energy: 0.529688260685849
Energy: 0.4997173067228708
Energy: 0.682248380121009
Energy: 0.4997173067234401
Energy: 0.47503353741988014
Energy: 0.47514064582989235
Energy: 0.7313457461268944
Energy: 0.4751406458304616
Energy: 0.5254016679682799
Energy: 0.4758455779314491
Energy: 0.7295521716181131
Energy: 0.47584557792974114
Energy: 0.491942225810464
Energy: 0.47577060639044394
Energy: 0.7297259115633558
Energy: 0.4757706063915826
Energy: 0.4756544031427405
Energy: 0.4750492643874308
Energy: 0.7327179891357819
Energy: 0.47504926438686146
Energy: 0.47571601216013093
Energy: 0.4757138794726395
Energy: 0.6712184126787648
Energy: 0.47571387947207017
Energy: 0.6261556192242765
Energy: 0.47565591139040014
Energy: 0.7886980616617154
Energy: 0.47565591139096947
Energy: 0.5434160492813729
Energy: 0.47671716961017463
Energy: 0.624146033531072
Energy: 0.4767171696113132
Energy: 0.6231797993641693
Energy: 0.501512180783675
Energy: 0.6110665587861421
Energy: 0.5015121807825363
Energy: 0.7308369865456428
Energy: 0.4760362687265535
Energy: 0.5404692150768452
Energy: 0.47603626872826144
Energy: 0.7306492756267539
Energy: 0.4762343892386681
Energy: 0.47731939583441385
Energy: 0.47623438924094535
Energy: 0.6923425438205989
Energy: 0.47547907028046693
Energy: 0.4757837030509074
Energy: 0.47547907028103625
Energy: 0.7878756649147204
Energy: 0.4757515158879221
Energy: 0.47842692962965105
Energy: 0.4757515158873528

minimum gb energy = 0.4749184764238884 eV
minimum distance =  2.52432739515676 Angstroms
sigma value = 37


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

Energy: 0.7565476730077108
Energy: 0.4710900868799819
Energy: 0.6017164860900596
Energy: 0.6018889188484923
Energy: 0.678205332368277
Energy: 0.4442489951171225
Energy: 0.5405713711256049
Energy: 0.44424899511810195
Energy: 0.6724603269106222
Energy: 0.4435389731443981
Energy: 0.540659047330343
Energy: 0.4435389731443981
Energy: 0.7136745788898016
Energy: 0.5780459035342834
Energy: 0.5453923745394147
Energy: 0.5780459035342834
Energy: 0.5482156817817107
Energy: 0.48375094240482996
Energy: 0.6128810014121313
Energy: 0.48375094240482996
Energy: 0.4932067996438215
Energy: 0.44137308479087717
Energy: 0.6796852785894502
Energy: 0.44137308479087717
Energy: 0.4927529463867612
Energy: 0.4412647535340526
Energy: 0.6839094126839222
Energy: 0.44126475353307315
Energy: 0.635100551952973
Energy: 0.43119595313678855
Energy: 0.7781848138011003
Energy: 0.43119595313678855
Energy: 0.4962637647934446
Energy: 0.4355207312081003
Energy: 0.7782067360784652
Energy: 0.4355207312081003
Energy: 0.48462790744840634
Energy: 0.43140446134561905
Energy: 0.7909248800884717
Energy: 0.43140446134561905
Energy: 0.4857770399094573
Energy: 0.4847582320008253
Energy: 0.6709834256770496
Energy: 0.48475823200180473
Energy: 0.576722499935933
Energy: 0.43117077356645156
Energy: 0.6833855313049049
Energy: 0.43117077356645156
Energy: 0.5994020439165053
Energy: 0.4309387046791699
Energy: 0.6724676415721285
Energy: 0.4309387046781904
Energy: 0.5761210562238074
Energy: 0.5626257447123049
Energy: 0.7136477441739554
Energy: 0.5626257447123049
Energy: 0.6128810014131107
Energy: 0.5457626409453855
Energy: 0.5968962836652573
Energy: 0.5457626409453855
Energy: 0.6796852785904296
Energy: 0.5474984848881493
Energy: 0.5388866725182914
Energy: 0.5474984848881493
Energy: 0.6407108362959977
Energy: 0.44553867224616545
Energy: 0.49274512867922166
Energy: 0.44553867224616545
Energy: 0.7781848138020798
Energy: 0.44386798405092953
Energy: 0.6144832683347533
Energy: 0.4438679840518867
Energy: 0.7782067360774858
Energy: 0.44419162314376437
Energy: 0.44402720491326264
Energy: 0.44419162314376437
Energy: 0.746913666137578
Energy: 0.443862457801259
Energy: 0.4446454641873645
Energy: 0.4438624578002795

minimum gb energy = 0.4309387046781904 eV
minimum distance =  2.51687184953667 Angstroms
sigma value = 25


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

Energy: 0.8846280471421005
Energy: 0.4216607605631451
Energy: 0.5653774485306253
Energy: 0.5632035005675684
Energy: 0.8126250258928979
Energy: 0.3956160032318697
Energy: 0.47194805143811697
Energy: 0.39561600323263457
Energy: 0.773956631860334
Energy: 0.39489740363048664
Energy: 0.4694412402539591
Energy: 0.3948974036312515
Energy: 0.6336701192945645
Energy: 0.5265640853343224
Energy: 0.47238991002171665
Energy: 0.5265640853335575
Energy: 0.6370898747262529
Energy: 0.5213856669864284
Energy: 0.6398680550889213
Energy: 0.5213856669864284
Energy: 0.5885924914710479
Energy: 0.4259907181893177
Energy: 0.6435890676330652
Energy: 0.4259907181885529
Energy: 0.5873809067477099
Energy: 0.463734967009264
Energy: 0.6376804339741421
Energy: 0.46373496701079364
Energy: 0.48769373651577974
Energy: 0.3949333077576459
Energy: 0.7568090196764676
Energy: 0.3949333077569158
Energy: 0.4966559859993896
Energy: 0.4644113402711964
Energy: 0.8155542558953286
Energy: 0.46441134027196124
Energy: 0.4977135978210363
Energy: 0.4645806959544384
Energy: 0.7356390357602629
Energy: 0.4645806959544384
Energy: 0.5901020020341938
Energy: 0.7107128939750079
Energy: 0.7552305573625862
Energy: 0.7107128942968656
Energy: 0.43560118839232326
Energy: 0.3936790649719768
Energy: 0.7354136992408983
Energy: 0.3936790649719768
Energy: 0.4294443409608469
Energy: 0.3888859814562824
Energy: 0.8504342167804324
Energy: 0.3888859814570472
Energy: 0.4574734339494489
Energy: 0.3892099680265134
Energy: 0.8180325988465333
Energy: 0.3892099680265134
Energy: 0.5005612494395971
Energy: 0.38890674761110333
Energy: 0.7765246270749957
Energy: 0.38890674760957367
Energy: 0.4989722541268514
Energy: 0.38835379614640153
Energy: 0.7735598825122694
Energy: 0.3883537961471663
Energy: 0.5649836447086394
Energy: 0.5139575053548914
Energy: 0.7737440398980124
Energy: 0.5139575053548914
Energy: 0.5272520408900332
Energy: 0.5838741295408425
Energy: 0.6396696922351963
Energy: 0.5838741295400777
Energy: 0.6580223034633741
Energy: 0.4813700252364146
Energy: 0.591725898141695
Energy: 0.4813700252356497
Energy: 0.6565406090891432
Energy: 0.48828799934628386
Energy: 0.5891806634226221
Energy: 0.4882879993470487
Energy: 0.7555207607707463
Energy: 0.3959441380925952
Energy: 0.46843695529143214
Energy: 0.3959441380933601
Energy: 0.8136638738298777
Energy: 0.39599265292615016
Energy: 0.43650923703931593
Energy: 0.395992652926915
Energy: 0.8499787989083212
Energy: 0.39517790397351515
Energy: 0.47111563848255306
Energy: 0.39517790397351515
Energy: 0.756293453571813
Energy: 0.3954585341276306
Energy: 0.5639695610392658
Energy: 0.3954585341276306
Energy: 0.7810946080903913
Energy: 0.3949599396696307
Energy: 0.39649990572945343
Energy: 0.3949599396703956
Energy: 0.772788627785754
Energy: 0.3994748860867226
Energy: 0.3986709488515261
Energy: 0.3994748860867226

minimum gb energy = 0.38835379614640153 eV
minimum distance =  2.53408724440583 Angstroms
sigma value = 41


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

Energy: 0.9102508317153516
Energy: 0.3922528399036507
Energy: 0.5301110409472954
Energy: 0.5298922905636517
Energy: 0.8630900612072172
Energy: 0.35532532460876914
Energy: 0.4134732534369655
Energy: 0.35532532460939625
Energy: 0.7993157174167019
Energy: 0.3563289323619881
Energy: 0.4158132100388503
Energy: 0.3563289323619881
Energy: 0.7000827149205509
Energy: 0.4629083316814996
Energy: 0.4137189537372195
Energy: 0.4629083316814996
Energy: 0.7290159900709663
Energy: 0.46293828800571046
Energy: 0.5675609415010643
Energy: 0.46293828800633746
Energy: 0.6570199787433333
Energy: 0.5683575300846906
Energy: 0.5644293827251383
Energy: 0.5683575300846906
Energy: 0.6539781722010551
Energy: 0.5669603002441003
Energy: 0.5646355633663961
Energy: 0.5669603002434732
Energy: 0.5648060308426964
Energy: 0.4750302026482849
Energy: 0.6009748373439777
Energy: 0.4750302026438956
Energy: 0.47215213345223883
Energy: 0.5463333087411593
Energy: 0.7277178352445324
Energy: 0.5463333087405323
Energy: 0.4715267861348226
Energy: 0.4635677926465975
Energy: 0.7265647417469339
Energy: 0.4635677926478516
Energy: 0.4152948898364003
Energy: 0.4712597819908662
Energy: 0.804996162197907
Energy: 0.4712597819908662
Energy: 0.4151971634656203
Energy: 0.356112249327337
Energy: 0.8624198885568336
Energy: 0.35611224932796404
Energy: 0.41811179373507323
Energy: 0.3557049687666503
Energy: 0.8591606035088915
Energy: 0.35570496876602326
Energy: 0.5231700265084022
Energy: 0.3568299107867592
Energy: 0.8048661458747807
Energy: 0.3568299107861321
Energy: 0.3569073230970317
Energy: 0.35537512558923556
Energy: 0.7970096415103319
Energy: 0.35537512558986256
Energy: 0.3562630815602647
Energy: 0.3557124859483015
Energy: 0.7941205537593743
Energy: 0.3557124859483015
Energy: 0.41355337674191844
Energy: 0.3557249660917733
Energy: 0.7942849252295533
Energy: 0.35572496609299886
Energy: 0.42904584018102676
Energy: 0.35651259914865124
Energy: 0.7963088264010845
Energy: 0.35651259914927824
Energy: 0.41510437307067166
Energy: 0.35771505534370723
Energy: 0.6594616732486775
Energy: 0.3577150553443343
Energy: 0.5658909214698267
Energy: 0.4631429279082012
Energy: 0.6570552154635302
Energy: 0.4631429279082012
Energy: 0.6003908463844813
Energy: 0.5440970199990179
Energy: 0.7270405201297063
Energy: 0.544097019999645
Energy: 0.5667169891062915
Energy: 0.5693496949969825
Energy: 0.7010504056052594
Energy: 0.5693496949969825
Energy: 0.7281986107163204
Energy: 0.5643022213335209
Energy: 0.6553343531036374
Energy: 0.564302221334148
Energy: 0.6015700754420392
Energy: 0.567560316021456
Energy: 0.5656376587519152
Energy: 0.567560316021456
Energy: 0.7261355832129975
Energy: 0.540116063486419
Energy: 0.5007735076708064
Energy: 0.540116063485792
Energy: 0.7255398538434634
Energy: 0.46325617167870475
Energy: 0.5650226906902328
Energy: 0.4632561716793318
Energy: 0.7245560585108046
Energy: 0.46287245217922257
Energy: 0.416743935483707
Energy: 0.4628724521798496
Energy: 0.859527895532874
Energy: 0.43563429083881455
Energy: 0.42935509695926083
Energy: 0.43563429084006866
Energy: 0.724546649856151
Energy: 0.3560585474115316
Energy: 0.41471637188097243
Energy: 0.3560585474109045
Energy: 0.7244705473155261
Energy: 0.3561504761756527
Energy: 0.3559547632232875
Energy: 0.35615047617502565
Energy: 0.8604870482629442
Energy: 0.3554164610670979
Energy: 0.35680333622360527
Energy: 0.3554164610677249
Energy: 0.7940395529195104
Energy: 0.3562936096836798
Energy: 0.5308657495907882
Energy: 0.35629360968305274

minimum gb energy = 0.35532532460876914 eV
minimum distance =  2.53467347190601 Angstroms
sigma value = 15


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

Energy: 0.7919740016566194
Energy: 0.36084037739631797
Energy: 0.508298998886361
Energy: 0.5067708353952723
Energy: 0.8978654006755958
Energy: 0.3286849001248047
Energy: 0.37717652149816255
Energy: 0.3286849001248047
Energy: 0.8418246926702326
Energy: 0.42418655676759986
Energy: 0.3797563855702754
Energy: 0.42418655676759986
Energy: 0.7925105674040039
Energy: 0.42254806408054035
Energy: 0.37740571212811563
Energy: 0.42254806408054035
Energy: 0.7841550854815772
Energy: 0.4238171012573929
Energy: 0.5093289771695768
Energy: 0.4238171012573929
Energy: 0.7244192636983909
Energy: 0.5143672619046453
Energy: 0.5069073757679613
Energy: 0.5143672619046453
Energy: 0.5904695814263814
Energy: 0.5265754868299702
Energy: 0.5076356715930677
Energy: 0.5265754868305014
Energy: 0.6586394332652044
Energy: 0.5254720172003786
Energy: 0.5331107694955455
Energy: 0.5254720171998473
Energy: 0.5888613037852886
Energy: 0.52053071919733
Energy: 0.6539074359114344
Energy: 0.52053071919733
Energy: 0.5874361137079411
Energy: 0.5210784692525456
Energy: 0.65526692375102
Energy: 0.5210784692520145
Energy: 0.5076333366645381
Energy: 0.5214786054043626
Energy: 0.7033780747233289
Energy: 0.521478605405425
Energy: 0.42727968848677295
Energy: 0.49219312316326874
Energy: 0.7791088051722677
Energy: 0.49219312316326874
Energy: 0.5083390053352315
Energy: 0.42306357347857015
Energy: 0.7820436806348979
Energy: 0.4230635734791014
Energy: 0.3797072485516689
Energy: 0.4230036306508228
Energy: 0.705054838538861
Energy: 0.4230036306508228
Energy: 0.39058683491032575
Energy: 0.39814612602362953
Energy: 0.892730005451605
Energy: 0.39814612602362953
Energy: 0.38046612720139156
Energy: 0.32909059732768015
Energy: 0.7844546965131759
Energy: 0.32909059732768015
Energy: 0.3345405285988253
Energy: 0.3288841445996112
Energy: 0.777423235040521
Energy: 0.3288841445996112
Energy: 0.3288197561330251
Energy: 0.3287569922361788
Energy: 0.8368940784253706
Energy: 0.3287569922372412
Energy: 0.32884790796157587
Energy: 0.32933457818342116
Energy: 0.7263534790621915
Energy: 0.32933457818395234
Energy: 0.38318188257946706
Energy: 0.32899076107899006
Energy: 0.8354294968274507
Energy: 0.32899076107845887
Energy: 0.3887771874004638
Energy: 0.39803954499887684
Energy: 0.8375838607015611
Energy: 0.3980395449978145
Energy: 0.3856940425129003
Energy: 0.4226496239000883
Energy: 0.7186894216671085
Energy: 0.42264962389902594
Energy: 0.5076072753041501
Energy: 0.42261545195652167
Energy: 0.7217039305958708
Energy: 0.4226154519554593
Energy: 0.510869661197036
Energy: 0.49136827012025586
Energy: 0.7798225811097124
Energy: 0.49136827011972467
Energy: 0.5133430169062454
Energy: 0.5215299980312983
Energy: 0.6158435916857996
Energy: 0.5215299980318295
Energy: 0.6565864457084114
Energy: 0.5208101329455154
Energy: 0.7253834665913191
Energy: 0.5208101329455154
Energy: 0.5080310418463182
Energy: 0.523090895446136
Energy: 0.6546617087640598
Energy: 0.5230908954466672
Energy: 0.6591377340532875
Energy: 0.5267252727160877
Energy: 0.6152954745113854
Energy: 0.5267252727155566
Energy: 0.6580429312691792
Energy: 0.5234290755430113
Energy: 0.5949438893394678
Energy: 0.5234290755419491
Energy: 0.6559970643430569
Energy: 0.5018449572394763
Energy: 0.50808593764311
Energy: 0.5018449572400075
Energy: 0.7824562169617091
Energy: 0.49240790216391195
Energy: 0.4271835164448379
Energy: 0.49240790216391195
Energy: 0.7038471403015881
Energy: 0.42282811311448765
Energy: 0.37764936749473355
Energy: 0.4228281131150189
Energy: 0.7826548719265438
Energy: 0.3307134617702513
Energy: 0.3810256094580015
Energy: 0.3307134617707825
Energy: 0.8397613464790125
Energy: 0.32914223830263456
Energy: 0.3803387070750534
Energy: 0.3291422383021034
Energy: 0.8829016939418037
Energy: 0.5025671124235213
Energy: 0.5033888141472834
Energy: 0.5025183888363589
Energy: 0.8418048351813867
Energy: 0.32902157232640694
Energy: 0.33311021487240094
Energy: 0.32902157232640694
Energy: 0.8404674606577309
Energy: 0.3293480844145514
Energy: 0.3310750891953646
Energy: 0.3293480844145514

minimum gb energy = 0.3286849001248047 eV
minimum distance =  2.54071875019475 Angstroms
sigma value = 85


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

Energy: 0.8495875841506854
Energy: 0.31848340098356254
Energy: 0.474208130494497
Energy: 0.4748802831923576
Energy: 0.8583120756899284
Energy: 0.29504792534822605
Energy: 0.33723112940395844
Energy: 0.29504792534822605
Energy: 0.7527308997625376
Energy: 0.2959460036533454
Energy: 0.33931375759525667
Energy: 0.29594600365288465
Energy: 0.6932159888505466
Energy: 0.3788473430272302
Energy: 0.33860818784196184
Energy: 0.37884734302676953
Energy: 0.8065416731928908
Energy: 0.4345074796433723
Energy: 0.4512503511819601
Energy: 0.4345074796433723
Energy: 0.6440635102904871
Energy: 0.4567422266478868
Energy: 0.45128255780521764
Energy: 0.4567422266478868
Energy: 0.642401479121918
Energy: 0.4674534477701723
Energy: 0.5828516855807166
Energy: 0.4674534477701723
Energy: 0.699073894011067
Energy: 0.4674561462941672
Energy: 0.4712858952289445
Energy: 0.46745614629462795
Energy: 0.642377991254632
Energy: 0.48464065423070546
Energy: 0.5831357524092493
Energy: 0.48464065423024477
Energy: 0.6424896531075145
Energy: 0.479435733285957
Energy: 0.6987603608386407
Energy: 0.479435733285957
Energy: 0.583143950919967
Energy: 0.4793611559367178
Energy: 0.6174449936595475
Energy: 0.47936115593625717
Energy: 0.5237325211959107
Energy: 0.4675768016807285
Energy: 0.698846551849678
Energy: 0.46757680168026783
Energy: 0.5830250549188356
Energy: 0.46784750567364336
Energy: 0.6995561129969027
Energy: 0.46784750567364336
Energy: 0.45078339743682394
Energy: 0.46732135677302516
Energy: 0.6181922291775823
Energy: 0.4673213567725645
Energy: 0.39992897519588805
Energy: 0.4347897651667198
Energy: 0.8061315094998416
Energy: 0.4347897651667198
Energy: 0.451140085671429
Energy: 0.37848195995276496
Energy: 0.6973623271292251
Energy: 0.37848195995230427
Energy: 0.3382035029710582
Energy: 0.37870688938399144
Energy: 0.697540647442367
Energy: 0.37870688938399144
Energy: 0.3476712270104448
Energy: 0.35446181421712325
Energy: 0.8576309362420051
Energy: 0.35446181421712325
Energy: 0.3371282003702068
Energy: 0.29552483368404187
Energy: 0.8038329736971576
Energy: 0.2955248336835811
Energy: 0.295947930976968
Energy: 0.2954865580440369
Energy: 0.8037634202398102
Energy: 0.2954865580440369
Energy: 0.29602123665446034
Energy: 0.29527545888815854
Energy: 0.8580708291210275
Energy: 0.29527545888815854
Energy: 0.29487632264653735
Energy: 0.2952891010135351
Energy: 0.7521668708655855
Energy: 0.29528910101399586
Energy: 0.3374048811639185
Energy: 0.2952905257673182
Energy: 0.8545923506258952
Energy: 0.2952905257673182
Energy: 0.3390028817671271
Energy: 0.2958604286801673
Energy: 0.8582686391391549
Energy: 0.2958604286801673
Energy: 0.33727892407760285
Energy: 0.2953931241490475
Energy: 0.6924725982534774
Energy: 0.2953931241481261
Energy: 0.45112925133278126
Energy: 0.37840604384068094
Energy: 0.8059288235013559
Energy: 0.37840604384068094
Energy: 0.45080104269658705
Energy: 0.43551424826284935
Energy: 0.7549311113651185
Energy: 0.43551424826284935
Energy: 0.45100443932136214
Energy: 0.39230280581620597
Energy: 0.6932301642247379
Energy: 0.3923028058171274
Energy: 0.5835202823265118
Energy: 0.4683094995105159
Energy: 0.6991634536636641
Energy: 0.4683094995105159
Energy: 0.5836268735380388
Energy: 0.47122007312884207
Energy: 0.6434863300888926
Energy: 0.47122007312884207
Energy: 0.5829585918572442
Energy: 0.4790345148915827
Energy: 0.5240966192298346
Energy: 0.4790345148915827
Energy: 0.6062999075395166
Energy: 0.4789588285204093
Energy: 0.5831535032905508
Energy: 0.4789588285204093
Energy: 0.7008398302430825
Energy: 0.46750215000273027
Energy: 0.5205554483128539
Energy: 0.46750215000273027
Energy: 0.6991649732411712
Energy: 0.46777949687631243
Energy: 0.5209491508350276
Energy: 0.46777949687585174
Energy: 0.6168770337092976
Energy: 0.6044866965456653
Energy: 0.45088413623122386
Energy: 0.6044866965452046
Energy: 0.8058311253102979
Energy: 0.4353102406003199
Energy: 0.45119165428559344
Energy: 0.4353102406003199
Energy: 0.8045477349750139
Energy: 0.37835863050438023
Energy: 0.45094227902416856
Energy: 0.37835863050438023
Energy: 0.7710445740046008
Energy: 0.3789899864327616
Energy: 0.33786461546040664
Energy: 0.3789899864327616
Energy: 0.8588940512633491
Energy: 0.35458654883193397
Energy: 0.33887593724364423
Energy: 0.3545865488323947
Energy: 0.8036441351699877
Energy: 0.29545620724679494
Energy: 0.3376956416938868
Energy: 0.29545620724679494
Energy: 0.6977756039173804
Energy: 0.2954658474981878
Energy: 0.2955794115056129
Energy: 0.29546584749910915
Energy: 0.8580834928133838
Energy: 0.29537463014445947
Energy: 0.29623625556987426
Energy: 0.29537463014445947
Energy: 0.7518511302725402
Energy: 0.2956278141058562
Energy: 0.29534957572037424
Energy: 0.2956278141058562

minimum gb energy = 0.29487632264653735 eV
minimum distance =  2.54450839290426 Angstroms
sigma value = 113


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

Energy: 0.011709375818703151
Energy: 0.013138561191100026
Energy: 0.672327165376889
Energy: 0.24071742849033184
Energy: 0.012270343610150062
Energy: 0.05931172644096793
Energy: 0.4909335539450078
Energy: 0.05931172644096793
Energy: 0.013702495985941997
Energy: 0.05800942708501274
Energy: 0.4899090474985881
Energy: 0.05800942708501274
Energy: 0.012984581233077877
Energy: 0.057384350667593766
Energy: 0.67287166683271
Energy: 0.057384350667239604
Energy: 0.4889656583839714
Energy: 0.05753956940921627
Energy: 0.48906095473865574
Energy: 0.05753956940957044
Energy: 0.012157061278191711
Energy: 0.057653909209748284
Energy: 0.48921446322556184
Energy: 0.05765390921010245

minimum gb energy = 0.011709375818703151 eV
minimum distance =  2.82401538588164 Angstroms
sigma value = 1