Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002
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=4.044650822877884
cohesive_energy=3.3602642806077534
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, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.94765107381162e-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: 0.010353198127258439
Energy: 0.0501019631444506
Energy: 0.0501019631444506
Energy: 0.010813167682504178
Energy: 0.0501019631444506
Energy: 0.4857079016522984
Energy: 0.010813167682977382
Energy: 0.4857079016522984
Energy: 0.49404178431499374
Energy: 0.010813167682504178
Energy: 0.010353198127258439
Energy: 0.0501019631444506
Energy: 0.010813167682977382
Energy: 0.4857079016522984
Energy: 0.0501019631444506
Energy: 0.4857079016522984

minimum gb energy = 0.010353198127258439 eV
minimum distance =  2.73407100005568 Angstroms
sigma value = 1


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

Energy: 0.5763679258364198
Energy: 0.5680073385030631
Energy: 0.5694437815428061
Energy: 0.5247257989660049
Energy: 0.5299427987983859
Energy: 0.5580687003261194
Energy: 0.5305019122238865
Energy: 0.5580687003261194
Energy: 0.5684501335655359
Energy: 0.5682828992534179
Energy: 0.5301983630827974
Energy: 0.5682828992534179
Energy: 0.5299716667335136
Energy: 0.5503193962372084
Energy: 0.5307472310229819
Energy: 0.5503193962372084
Energy: 0.5396487239515463
Energy: 0.5494599888124421
Energy: 0.5319780934175995
Energy: 0.5494599888124421
Energy: 0.5302740289323051
Energy: 0.5640151875624712
Energy: 0.5317140856293977
Energy: 0.5640151875618912
Energy: 0.5431436628017129
Energy: 0.5658112572831991
Energy: 0.5410060927380465
Energy: 0.5658112572838067
Energy: 0.5435991392788059
Energy: 0.5643340111784314
Energy: 0.54510547524672
Energy: 0.5643340111784314
Energy: 0.5440801598681814
Energy: 0.5525585533434721
Energy: 0.5450110669263559
Energy: 0.5525585533434721
Energy: 0.5582397699691096
Energy: 0.5530427439979366
Energy: 0.5450134195177238
Energy: 0.5530427439985443
Energy: 0.5430465456917658
Energy: 0.5525487635659061
Energy: 0.5457024433117608
Energy: 0.5525487635659061
Energy: 0.5434967283321686
Energy: 0.5528238005396159
Energy: 0.5623849001771056
Energy: 0.5528238005396159
Energy: 0.5454627295052878
Energy: 0.5647225354427197
Energy: 0.5354399554432452
Energy: 0.5647225354427197
Energy: 0.5305336779300186
Energy: 0.5633157979331119
Energy: 0.5474824859041142
Energy: 0.5633157979331119
Energy: 0.5347355067630899
Energy: 0.5497881927400073
Energy: 0.5450977684377889
Energy: 0.5497881927400073
Energy: 0.5237823315902974
Energy: 0.5505822684173906
Energy: 0.5301989384658383
Energy: 0.5505822684186058
Energy: 0.5687229172482975
Energy: 0.5311103966150093
Energy: 0.5246430347224689
Energy: 0.5311103966156169
Energy: 0.5310005755902506
Energy: 0.5494369613801806
Energy: 0.5351979735262525
Energy: 0.5494369613807881
Energy: 0.5307850564558063
Energy: 0.5687284050585244
Energy: 0.5696186534884251
Energy: 0.5687284050579168
Energy: 0.5292608192161692
Energy: 0.5496540341702358
Energy: 0.5299451387628966
Energy: 0.5496540341696282
Energy: 0.5325454697803539
Energy: 0.5493549930445786
Energy: 0.5402583754835544
Energy: 0.5493549930445786
Energy: 0.5321046912831696
Energy: 0.5498998700726516
Energy: 0.5301640601908246
Energy: 0.549899870072044
Energy: 0.5414167842668384
Energy: 0.5650832373560716
Energy: 0.5425634935847855
Energy: 0.5650832373566793
Energy: 0.5470902774006063
Energy: 0.5492505597977371
Energy: 0.5416400796413279
Energy: 0.5492505597977371
Energy: 0.5511940725459992
Energy: 0.553343006570593
Energy: 0.544410443216684
Energy: 0.553343006570593
Energy: 0.5455587217205188
Energy: 0.5535223385245956
Energy: 0.5594715818702127
Energy: 0.5535223385252034
Energy: 0.5456931723600449
Energy: 0.5532983900119106
Energy: 0.5431990424232219
Energy: 0.5532983900119106
Energy: 0.5611944433403501
Energy: 0.5517706073986516
Energy: 0.5405273282105154
Energy: 0.5517706073980438
Energy: 0.5361209116173894
Energy: 0.5646931117206596
Energy: 0.5411506933521503
Energy: 0.5646931117200519
Energy: 0.5464037192473827
Energy: 0.5635255241299469
Energy: 0.5359358208738697
Energy: 0.5635255241299469
Energy: 0.5331565394056581
Energy: 0.5507391088676977
Energy: 0.5350468719903029
Energy: 0.5507391088683055
Energy: 0.5308327314414055
Energy: 0.5502430317152721
Energy: 0.5235283296051352
Energy: 0.5502430317158798
Energy: 0.524514296824042
Energy: 0.5308317565195703
Energy: 0.5306262249740801
Energy: 0.5308317565232162

minimum gb energy = 0.5235283296051352 eV
minimum distance =  2.53386638518855 Angstroms
sigma value = 1


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

Energy: 0.6103242764618245
Energy: 0.5951751017819339
Energy: 0.5950537983043501
Energy: 0.5469603551501727
Energy: 0.5534755002558865
Energy: 0.5825598832655223
Energy: 0.5535400077158626
Energy: 0.5825598832655223
Energy: 0.5957818637732123
Energy: 0.595326630242865
Energy: 0.5531723949251586
Energy: 0.595326630243558
Energy: 0.5523613742534889
Energy: 0.5744355722308981
Energy: 0.5537020494939922
Energy: 0.5744355722315911
Energy: 0.5538906455791818
Energy: 0.5747033178001502
Energy: 0.5539455351584422
Energy: 0.5747033178015357
Energy: 0.5531495042286152
Energy: 0.5929474466475074
Energy: 0.5552296674902022
Energy: 0.5929474466488931
Energy: 0.5665955027811503
Energy: 0.5937939094251201
Energy: 0.5660788819617607
Energy: 0.5937939094237344
Energy: 0.5678642081409759
Energy: 0.5884001085585598
Energy: 0.5692850819908538
Energy: 0.5884001085585598
Energy: 0.5662663349719426
Energy: 0.5836967570860275
Energy: 0.5693442444487322
Energy: 0.5836967570846419
Energy: 0.5676210988551751
Energy: 0.5859820559527775
Energy: 0.5673347881069724
Energy: 0.5859820559493133
Energy: 0.5598213376875868
Energy: 0.5935825235597153
Energy: 0.5662023793503579
Energy: 0.5935825235597153
Energy: 0.5740161947879606
Energy: 0.59268257202679
Energy: 0.5534393572101113
Energy: 0.59268257202679
Energy: 0.5551249099729881
Energy: 0.5746741869610229
Energy: 0.5590538545512297
Energy: 0.5746741869624086
Energy: 0.553850338104894
Energy: 0.5744953123655947
Energy: 0.5451666451400247
Energy: 0.574495312364209
Energy: 0.5449372888004698
Energy: 0.5530090885550348
Energy: 0.5944355286504455
Energy: 0.5530090885557278
Energy: 0.5597036234101925
Energy: 0.5745510463236233
Energy: 0.5535473370627215
Energy: 0.5745510463236233
Energy: 0.5971919169384985
Energy: 0.5950141794292266
Energy: 0.5540498776236091
Energy: 0.5950141794292266
Energy: 0.5528662159564288
Energy: 0.5533354658190212
Energy: 0.552049898545497
Energy: 0.5533354658183282
Energy: 0.5539204026863329
Energy: 0.5752943113786256
Energy: 0.55375194816478
Energy: 0.5752943113786256
Energy: 0.5532180843875841
Energy: 0.5745411432494019
Energy: 0.5559362661853801
Energy: 0.5745411432473234
Energy: 0.5678593998640507
Energy: 0.5943478947714267
Energy: 0.5659989586926433
Energy: 0.594347894770734
Energy: 0.5670177957991362
Energy: 0.5924759997437556
Energy: 0.5676159950696609
Energy: 0.5924759997437556
Energy: 0.5663359748061769
Energy: 0.5841720111241981
Energy: 0.5691966242333908
Energy: 0.5841720111235054
Energy: 0.5670522770963712
Energy: 0.5839862215052898
Energy: 0.5685902994322722
Energy: 0.5839862215045969
Energy: 0.5597284113561957
Energy: 0.5938746308478164
Energy: 0.5668928950049782
Energy: 0.5938746308492021
Energy: 0.5615361178640124
Energy: 0.5926476461588279
Energy: 0.5539530994874164
Energy: 0.5926476461595206
Energy: 0.5557602478112685
Energy: 0.5751050201643431
Energy: 0.5590312967469376
Energy: 0.5751050201622645
Energy: 0.5544423205114409
Energy: 0.5750546448015609
Energy: 0.5450399105302498
Energy: 0.5750546448015609
Energy: 0.5453655281759929
Energy: 0.5535501635471163
Energy: 0.5542274470410545
Energy: 0.5535501635478092

minimum gb energy = 0.5449372888004698 eV
minimum distance =  2.53652303588444 Angstroms
sigma value = 25


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

Energy: 0.6339696706024164
Energy: 0.6257977381448582
Energy: 0.6240000210811829
Energy: 0.5699785637407705
Energy: 0.5791447319492274
Energy: 0.6082536838793041
Energy: 0.5786302131702711
Energy: 0.6082536838793041
Energy: 0.6238003132762462
Energy: 0.6242540913680016
Energy: 0.6246383592333133
Energy: 0.6242540913680016
Energy: 0.5770706702918842
Energy: 0.6031589104772185
Energy: 0.5787548738524235
Energy: 0.6031589104772185
Energy: 0.5784018168660588
Energy: 0.602743211051305
Energy: 0.5789034378384973
Energy: 0.602743211051305
Energy: 0.5773536575003986
Energy: 0.6333600793532002
Energy: 0.5804438857563895
Energy: 0.6333600793532002
Energy: 0.5885487559887901
Energy: 0.6262252967471895
Energy: 0.5870290018183767
Energy: 0.626225296747995
Energy: 0.587985992574774
Energy: 0.6105128497522522
Energy: 0.5732478168759302
Energy: 0.6105128497522522
Energy: 0.588220662434457
Energy: 0.6261682990981615
Energy: 0.5857588694165171
Energy: 0.6261682990981615
Energy: 0.5773475217663722
Energy: 0.6258019533883002
Energy: 0.5792521771598917
Energy: 0.6258019533883002
Energy: 0.5666047123078054
Energy: 0.6027355413207678
Energy: 0.5807837983284314
Energy: 0.6027355413207678
Energy: 0.5664529943655711
Energy: 0.6027488155439471
Energy: 0.5784785887762798
Energy: 0.6027488155431416
Energy: 0.6234662991046899
Energy: 0.5767023521074728
Energy: 0.5668510165391383
Energy: 0.5767023521074728
Energy: 0.5788217108692899
Energy: 0.603270749460614
Energy: 0.5858194133644243
Energy: 0.603270749460614
Energy: 0.5774839928666374
Energy: 0.6240483500185934
Energy: 0.6253555507795251
Energy: 0.6240483500185934
Energy: 0.575822275680344
Energy: 0.5773046834363699
Energy: 0.5769872814791156
Energy: 0.5773046834363699
Energy: 0.5786437847025864
Energy: 0.6028943011954527
Energy: 0.5783795832315253
Energy: 0.6028943011954527
Energy: 0.5796730490906632
Energy: 0.6026763484252676
Energy: 0.5775475161975556
Energy: 0.6026763484252676
Energy: 0.5874661731016881
Energy: 0.6275009821967573
Energy: 0.576824056891435
Energy: 0.6275009821967573
Energy: 0.5734668600276221
Energy: 0.625607879416555
Energy: 0.589292314914441
Energy: 0.625607879416555
Energy: 0.5856003535854106
Energy: 0.6274183224973877
Energy: 0.5880833167471952
Energy: 0.6274183224965824
Energy: 0.5854945590298286
Energy: 0.6263336543744183
Energy: 0.5787615464800349
Energy: 0.6263336543744183
Energy: 0.5807959129808143
Energy: 0.6031376483734514
Energy: 0.5665400482434101
Energy: 0.6031376483734514
Energy: 0.5789293989787492
Energy: 0.603190659812591
Energy: 0.566549127867636
Energy: 0.603190659812591
Energy: 0.5667960486699356
Energy: 0.5766316883933039
Energy: 0.5766352246621613
Energy: 0.5766316883933039

minimum gb energy = 0.5664529943655711 eV
minimum distance =  2.54196607287375 Angstroms
sigma value = 9


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

Energy: 0.6523630622283397
Energy: 0.6544266200188841
Energy: 0.6538408039788728
Energy: 0.5899309901804581
Energy: 0.5958142541360444
Energy: 0.6319237223063587
Energy: 0.595897060495211
Energy: 0.6319237223053978
Energy: 0.6536024346576762
Energy: 0.653476734825396
Energy: 0.5894210411344816
Energy: 0.653476734825396
Energy: 0.5909423288940564
Energy: 0.6320646467213132
Energy: 0.5957650177307543
Energy: 0.6320646467213132
Energy: 0.5942009337322792
Energy: 0.6317752141217149
Energy: 0.5960425602050122
Energy: 0.6317752141217149
Energy: 0.5983597333329953
Energy: 0.6812130537325323
Energy: 0.5971408268064614
Energy: 0.6812130537334931
Energy: 0.5947614982221311
Energy: 0.667997319609009
Energy: 0.596214659085072
Energy: 0.667997319609009
Energy: 0.5961809500859441
Energy: 0.6496365955898082
Energy: 0.6230051905197197
Energy: 0.649636595590769
Energy: 0.5969831293825435
Energy: 0.6317406535138312
Energy: 0.5846377084771512
Energy: 0.6317406535147919
Energy: 0.5955859014523187
Energy: 0.6318371145087118
Energy: 0.5849384852296462
Energy: 0.6318371145087118
Energy: 0.5844033870045732
Energy: 0.5908211698827152
Energy: 0.6536362857405981
Energy: 0.5908211698827152
Energy: 0.5945520699173169
Energy: 0.5910001314227057
Energy: 0.5963846666443772
Energy: 0.5910001314227057
Energy: 0.6564105829304178
Energy: 0.6539130095789807
Energy: 0.5893071717327026
Energy: 0.6539130095789807
Energy: 0.591126542472105
Energy: 0.5911012913420481
Energy: 0.5893609870361262
Energy: 0.5911012913410872
Energy: 0.594472023956944
Energy: 0.6317674326116951
Energy: 0.5955612722348614
Energy: 0.6317674326116951
Energy: 0.5960798060528252
Energy: 0.6319018209648105
Energy: 0.5960368910427506
Energy: 0.6319018209648105
Energy: 0.5947565231192559
Energy: 0.670390819410133
Energy: 0.5963274186323956
Energy: 0.670390819410133
Energy: 0.5948596684646829
Energy: 0.6703180769523791
Energy: 0.5971612492160033
Energy: 0.6703180769533399
Energy: 0.5971372773089119
Energy: 0.631878183621031
Energy: 0.5845529770455311
Energy: 0.631878183621031
Energy: 0.5961077982166088
Energy: 0.6320163534246883
Energy: 0.5845554481374197
Energy: 0.6320163534246883
Energy: 0.5843451227056947
Energy: 0.5907377038679764
Energy: 0.5904791643470786
Energy: 0.5907377038679764

minimum gb energy = 0.5843451227056947 eV
minimum distance =  2.56073846636852 Angstroms
sigma value = 25


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

Energy: 0.7029907846499426
Energy: 0.676064809977261
Energy: 0.6747275306344008
Energy: 0.5944149356734878
Energy: 0.6025402831345955
Energy: 0.6248004005092264
Energy: 0.6031517274330778
Energy: 0.6248004005092264
Energy: 0.674285903141734
Energy: 0.6746693381601803
Energy: 0.5892395643677236
Energy: 0.6746693381601803
Energy: 0.5916668193185884
Energy: 0.6261777870318266
Energy: 0.603759475622006
Energy: 0.6261777870318266
Energy: 0.6004166101702711
Energy: 0.6567381272954991
Energy: 0.6039626293769321
Energy: 0.6567381272954991
Energy: 0.5905739158484541
Energy: 0.6568477519766752
Energy: 0.6028829232997145
Energy: 0.6568477519766752
Energy: 0.5882436402771766
Energy: 0.6567053321708758
Energy: 0.6032122116822891
Energy: 0.6567053321708758
Energy: 0.5882584067376816
Energy: 0.6560335885619727
Energy: 0.603448247603587
Energy: 0.6560335885619727
Energy: 0.6738386692764745
Energy: 0.5907852596118105
Energy: 0.5878949677588914
Energy: 0.5907852596118105
Energy: 0.6039492638115177
Energy: 0.5908102098593488
Energy: 0.5885413226133279
Energy: 0.5908102098593488
Energy: 0.5893556428291533
Energy: 0.6744408114265847
Energy: 0.6779394674502082
Energy: 0.6744408114277729
Energy: 0.5917902241321696
Energy: 0.6259995451271684
Energy: 0.5904838138455544
Energy: 0.6259995451259802
Energy: 0.6026001137178935
Energy: 0.6565380353752821
Energy: 0.60030816802207
Energy: 0.6565380353752821
Energy: 0.6033415939622965
Energy: 0.6559463731047537
Energy: 0.591574742225067
Energy: 0.6559463731047537
Energy: 0.6022635439314954
Energy: 0.6558796094474091
Energy: 0.5882712927467929
Energy: 0.6558796094474091
Energy: 0.6026646055994018
Energy: 0.6572305248385572
Energy: 0.5889406900953047
Energy: 0.6572305248373689
Energy: 0.5909461311780397
Energy: 0.5905890853379033
Energy: 0.5920298542648418
Energy: 0.5905890853379033

minimum gb energy = 0.5878949677588914 eV
minimum distance =  2.62874132440875 Angstroms
sigma value = 17


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

Energy: 1.004157588072537
Energy: 0.7386971993838648
Energy: 0.7390758866254545
Energy: 0.6928153693987524
Energy: 0.6211987736889241
Energy: 0.6332306512494702
Energy: 0.63815392917807
Energy: 0.6332306512494702
Energy: 0.6470771698389639
Energy: 0.6459747293652306
Energy: 0.6743224707390348
Energy: 0.6459747293652306
Energy: 0.6376496564726339
Energy: 0.6576725933619858
Energy: 0.6375585157171979
Energy: 0.6576725933613129
Energy: 0.6371099794648348
Energy: 0.6861244350104709
Energy: 0.599115140747201
Energy: 0.6861244350097979
Energy: 0.6384862741459496
Energy: 0.6851360235104897
Energy: 0.6371485530894435
Energy: 0.685136023509817
Energy: 0.674003078564949
Energy: 0.6368221211477723
Energy: 0.6473437410169115
Energy: 0.6368221211470992
Energy: 0.6793353783391408
Energy: 0.6374614134262746
Energy: 0.6181184899702322
Energy: 0.6374614134262746
Energy: 0.6966852150807447
Energy: 0.7383999180541849
Energy: 0.6743277281067566
Energy: 0.7383999180535121
Energy: 0.6884693187046416
Energy: 0.6686806595111604
Energy: 0.6385622897579311
Energy: 0.6686806595111604
Energy: 0.6373387682769689
Energy: 0.6310527571536971
Energy: 0.6084730460016501
Energy: 0.6310527571536971
Energy: 0.676582729115161
Energy: 0.6293924526678055
Energy: 0.6176121680197447
Energy: 0.6293924526678055
Energy: 0.6744093284282217
Energy: 0.6297149172898324
Energy: 0.6293194302437908
Energy: 0.6297149172891595
Energy: 0.6757148977146612
Energy: 0.6298177770171036
Energy: 0.6090843166430456
Energy: 0.6298177770171036
Energy: 0.6899628985657335
Energy: 0.6745462199743081
Energy: 0.6733254919034358
Energy: 0.6745462199743081
Energy: 0.6396740683857498
Energy: 0.6751368727042
Energy: 0.6733154199889522
Energy: 0.6751368727055457
Energy: 0.6744356439896
Energy: 0.6378933496119614
Energy: 0.6090122070497918
Energy: 0.6378933496119614
Energy: 0.6744134938615399
Energy: 0.6379576249806729
Energy: 0.6459459397660886
Energy: 0.63795762498
Energy: 0.639662358490484
Energy: 0.6865326665616471
Energy: 0.6377833139169956
Energy: 0.6865326665616471
Energy: 0.6574046084798189
Energy: 0.6859940365099932
Energy: 0.6373224251459378
Energy: 0.6859940365099932
Energy: 0.6409770514327663
Energy: 0.6789593932489623
Energy: 0.675324385898424
Energy: 0.6789593932489623
Energy: 0.6458281192733167
Energy: 0.6458593499909577
Energy: 0.6733542285457996
Energy: 0.6458593499909577
Energy: 0.6383111238749992
Energy: 0.6667416294917918
Energy: 0.6511420815719511
Energy: 0.6667416294911189
Energy: 0.674088124390323
Energy: 0.7381435397067572
Energy: 0.7378277851572335
Energy: 0.7381435397074301
Energy: 0.6193700997298575
Energy: 0.629488470501722
Energy: 0.675653499207675
Energy: 0.6294884705010491
Energy: 0.6179877069885769
Energy: 0.6296790260037287
Energy: 0.6365101249205092
Energy: 0.6296790260044016
Energy: 0.6092141816085352
Energy: 0.6099269190013882
Energy: 0.6750087257519675
Energy: 0.6099269190020611
Energy: 0.6115378266170773
Energy: 0.6298911689560939
Energy: 0.673643905235104
Energy: 0.6298911689567668
Energy: 0.6208522564606822
Energy: 0.629603601341688
Energy: 0.6740949902360921
Energy: 0.6296036013410151
Energy: 0.6731848891247464
Energy: 0.7381005134495732
Energy: 0.7388133105316295
Energy: 0.7381005134495732

minimum gb energy = 0.599115140747201 eV
minimum distance =  2.55793115555551 Angstroms
sigma value = 53


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

Energy: 0.8860999682565973
Energy: 0.6651140638796768
Energy: 0.6661355738556715
Energy: 0.5624664087553126
Energy: 0.6883731077472022
Energy: 0.5854322303890049
Energy: 0.6893460271569282
Energy: 0.5854322303890049
Energy: 0.665254684266225
Energy: 0.6653171288135834
Energy: 0.7183162814131465
Energy: 0.6653171288120342
Energy: 0.6881767656620924
Energy: 0.5862958592033496
Energy: 0.687458662709775
Energy: 0.5862958592033496
Energy: 0.6983974143930897
Energy: 0.5855716833042047
Energy: 0.5527422583905014
Energy: 0.585571683305754
Energy: 0.6870847370686365
Energy: 0.5867506037262683
Energy: 0.5530320328075636
Energy: 0.5867506037262683
Energy: 0.816384266094448
Energy: 0.6647488313670492
Energy: 0.6639937002860069
Energy: 0.6647488313670492
Energy: 0.8167391430184769
Energy: 0.5866308739201613
Energy: 0.6870847394626688
Energy: 0.5866308739217106
Energy: 0.6655060077555834
Energy: 0.665471233928403
Energy: 0.7180211063212779
Energy: 0.665471233928403
Energy: 0.6871990697104615
Energy: 0.5859994566857376
Energy: 0.6870573102928692
Energy: 0.5859994566857376
Energy: 0.6983262565337116
Energy: 0.5866298793652759
Energy: 0.553064240312486
Energy: 0.5866298793652759
Energy: 0.6895761207399099
Energy: 0.5860131695479264
Energy: 0.5550878854055086
Energy: 0.5860131695479264
Energy: 0.8168119639310462
Energy: 0.5866611943849808
Energy: 0.6868162729064775
Energy: 0.5866611943849808

minimum gb energy = 0.5527422583905014 eV
minimum distance =  2.61393593427133 Angstroms
sigma value = 9


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

Energy: 0.8470872901822779
Energy: 0.7658423772555049
Energy: 0.7664603956472684
Energy: 0.7283117968547684
Energy: 0.6228131694051628
Energy: 0.6218059089584809
Energy: 0.7420450372287831
Energy: 0.6218059089590542
Energy: 0.628931288362559
Energy: 0.6336715118150578
Energy: 0.7851520099964637
Energy: 0.6336715118150578
Energy: 0.6260063779182523
Energy: 0.622030187558263
Energy: 0.7723761199098943
Energy: 0.6220301875576896
Energy: 0.6267704764909932
Energy: 0.6219949179349182
Energy: 0.7229401216531246
Energy: 0.6219949179343447
Energy: 0.6499733816112672
Energy: 0.621751025040701
Energy: 0.7219348006808674
Energy: 0.6217510250412744
Energy: 0.8558181000034101
Energy: 0.770231173575252
Energy: 0.7686848182032151
Energy: 0.7702311735758253
Energy: 0.7756555439998526
Energy: 0.6908462963679297
Energy: 0.7642038118260993
Energy: 0.6908462963673563
Energy: 0.663440379648944
Energy: 0.7541664174760314
Energy: 0.6687610719920464
Energy: 0.7541664174766047
Energy: 0.613848287935002
Energy: 0.6688865607428244
Energy: 0.6898902137766593
Energy: 0.6688865607428244
Energy: 0.666414829789113
Energy: 0.6762280649070217
Energy: 0.7554439792069795
Energy: 0.6762280649070217
Energy: 0.679127905248213
Energy: 0.6782013888326983
Energy: 0.8487988541828058
Energy: 0.6782013888332716
Energy: 0.7638615317148535
Energy: 0.6862969825569664
Energy: 0.673972494160184
Energy: 0.6862969825563929
Energy: 0.7550857991308928
Energy: 0.6696309805289552
Energy: 0.6816850385875329
Energy: 0.6696309805289552
Energy: 0.7652267285897733
Energy: 0.6758626367186485
Energy: 0.632380762404667
Energy: 0.6758626367186485
Energy: 0.7228280672312604
Energy: 0.676307215364617
Energy: 0.6330592099962663
Energy: 0.676307215364617
Energy: 0.6886741391737593
Energy: 0.6756999012174346
Energy: 0.6712736371234985
Energy: 0.6756999012168613
Energy: 0.7657405019049581
Energy: 0.7659064844345949
Energy: 0.8474262511633275
Energy: 0.7659064844345949
Energy: 0.7563486139507353
Energy: 0.62224397700403
Energy: 0.6611027264607006
Energy: 0.6222439770034567
Energy: 0.784869581381093
Energy: 0.6370509185073225
Energy: 0.6212408150127582
Energy: 0.637050918507896
Energy: 0.7722966830040119
Energy: 0.6227396208451816
Energy: 0.6241680137696404
Energy: 0.6227396208451816
Energy: 0.7219902765611672
Energy: 0.6218293488479657
Energy: 0.6253620272274227
Energy: 0.621829348846819
Energy: 0.722589010175099
Energy: 0.6218939940001468
Energy: 0.6486877701866055
Energy: 0.6218939940700744
Energy: 0.7661668353108421
Energy: 0.6616345364016173
Energy: 0.7878863841446009
Energy: 0.6616345364004707
Energy: 0.7647330155153781
Energy: 0.6918068506729773
Energy: 0.7341777436292538
Energy: 0.6918068506724039
Energy: 0.6699272478160827
Energy: 0.6882716900270204
Energy: 0.6659296472131634
Energy: 0.6882716900270204
Energy: 0.689192350979185
Energy: 0.6687388179844017
Energy: 0.6134112550002848
Energy: 0.6687388179838283
Energy: 0.7282241239541378
Energy: 0.6834562594994902
Energy: 0.6657011767487896
Energy: 0.6834562594994902
Energy: 0.8476709732171633
Energy: 0.6796209042786333
Energy: 0.6909975198625046
Energy: 0.6796209042780598
Energy: 0.6916206949288083
Energy: 0.68616946611242
Energy: 0.7757993356573509
Energy: 0.68616946611242
Energy: 0.6826339278345062
Energy: 0.6786129374610912
Energy: 0.786685476989012
Energy: 0.6786129374599444
Energy: 0.6384003301192918
Energy: 0.6855295618629363
Energy: 0.7668715091999874
Energy: 0.6855295618629363
Energy: 0.6321849421817693
Energy: 0.6764571381868467
Energy: 0.7235011107512253
Energy: 0.6764571381856999
Energy: 0.6700624005824721
Energy: 0.6758379324162761
Energy: 0.6470265179923606
Energy: 0.6758379324162761
Energy: 0.8481960249188822
Energy: 0.7656313491224673
Energy: 0.765622844269548
Energy: 0.7656313491224673

minimum gb energy = 0.6134112550002848 eV
minimum distance =  2.53775874916354 Angstroms
sigma value = 73


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

Energy: 0.8879945211735324
Energy: 0.7200706756905766
Energy: 0.7216089743271737
Energy: 0.668490484177574
Energy: 0.6349666923409072
Energy: 0.6360590092126026
Energy: 0.6707586555779832
Energy: 0.6360590092126026
Energy: 0.6313940759326468
Energy: 0.6336127186007731
Energy: 0.749080312275019
Energy: 0.6336127185998633
Energy: 0.6309950487136821
Energy: 0.6311599108327085
Energy: 0.6787905201099169
Energy: 0.6311599108336183
Energy: 0.6402885104077428
Energy: 0.6374269548680312
Energy: 0.7654932288640737
Energy: 0.6374269548671215
Energy: 0.6539917355898925
Energy: 0.6381940404725032
Energy: 0.7683186688467919
Energy: 0.6381940404725032
Energy: 0.6693468825920895
Energy: 0.7720358398459483
Energy: 0.7610804124829693
Energy: 0.772035839846858
Energy: 0.6786183646452764
Energy: 0.6904470407645017
Energy: 0.6140744259378822
Energy: 0.6904470407635919
Energy: 0.6570739698468372
Energy: 0.7415470251372333
Energy: 0.7530877826153354
Energy: 0.7415470251372333
Energy: 0.6601269389834705
Energy: 0.6960657899844119
Energy: 0.6309344681887478
Energy: 0.6960657899844119
Energy: 0.6784509667900039
Energy: 0.6350635213774066
Energy: 0.6139507294715384
Energy: 0.6350635213774066
Energy: 0.6595020982357372
Energy: 0.6204148989113342
Energy: 0.7926028392887344
Energy: 0.6204148989113342
Energy: 0.712300310804106
Energy: 0.6639559574328588
Energy: 0.6339962828312938
Energy: 0.6639559574328588
Energy: 0.7515264475682919
Energy: 0.6862867379875857
Energy: 0.6690750078455749
Energy: 0.6862867379875857
Energy: 0.6676957967857807
Energy: 0.6765990346033108
Energy: 0.6306307149510744
Energy: 0.6765990346042206
Energy: 0.7654625471761946
Energy: 0.6715674106998037
Energy: 0.6723013624634231
Energy: 0.6715674106998037
Energy: 0.6703294615870549
Energy: 0.6731055879994071
Energy: 0.6826447489357866
Energy: 0.6731055879994071
Energy: 0.741387353843217
Energy: 0.7328644117473401
Energy: 0.7792418330556977
Energy: 0.7328644117473401
Energy: 0.6342549872466885
Energy: 0.6674601115360911
Energy: 0.6735610426177719
Energy: 0.6674601115360911
Energy: 0.7140690623066892
Energy: 0.6647324271171121
Energy: 0.6685137802095978
Energy: 0.6647324271180219
Energy: 0.6339835692104104
Energy: 0.6888972439539394
Energy: 0.6618132635482122
Energy: 0.6888972439548492
Energy: 0.8261568028543456
Energy: 0.665099935706058
Energy: 0.7360037847816611
Energy: 0.665099935706058

minimum gb energy = 0.6139507294715384 eV
minimum distance =  2.53551457621903 Angstroms
sigma value = 7


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

Energy: 1.0221907093106175
Energy: 0.7207317417050108
Energy: 0.720351837963176
Energy: 0.6314945577417906
Energy: 0.6270227967803574
Energy: 0.6251391547367585
Energy: 0.6245576239000582
Energy: 0.6251391547348287
Energy: 0.6256273461295482
Energy: 0.6260997383250183
Energy: 0.6904408541320136
Energy: 0.626099738324375
Energy: 0.6255534924394086
Energy: 0.6256155004459649
Energy: 0.6262638098258912
Energy: 0.6256155004453217
Energy: 0.6285075835378913
Energy: 0.6343253982169883
Energy: 0.7542975599193205
Energy: 0.6343253982169883
Energy: 0.6283134912664691
Energy: 0.6269252994735706
Energy: 0.7555624428072083
Energy: 0.6269252994742137
Energy: 0.7691350633673699
Energy: 0.6258125395648618
Energy: 0.6254160701759933
Energy: 0.6258125395648618
Energy: 0.624035246526361
Energy: 0.6272226825397391
Energy: 0.6527936249903316
Energy: 0.6272226825384525
Energy: 0.6261068050956451
Energy: 0.6257112647710107
Energy: 0.6297282121165485
Energy: 0.6257112647716538
Energy: 0.7501637892683772
Energy: 0.6460664928694811
Energy: 0.6297463710856508
Energy: 0.6460664928701244
Energy: 0.6262995596585591
Energy: 0.6588502516800822
Energy: 0.6230490424118658
Energy: 0.6588502516787956
Energy: 0.7223234256597469
Energy: 0.7050355912214308
Energy: 0.7681359652204564
Energy: 0.7050355912220742
Energy: 0.6967262774108303
Energy: 0.6563090975163379
Energy: 0.6315079077744685
Energy: 0.6563090975150514
Energy: 0.6947687315282896
Energy: 0.6564277053406251
Energy: 0.631428847532821
Energy: 0.6564277053412683
Energy: 0.6343495533925412
Energy: 0.6564524372551371
Energy: 0.6351682198828852
Energy: 0.6564524372557805
Energy: 0.7859203473863758
Energy: 0.7047851366372656
Energy: 0.722144415239231
Energy: 0.7047851366346924
Energy: 0.6701062784320919
Energy: 0.6590421793379226
Energy: 0.7054774025428895
Energy: 0.6590421793392093
Energy: 0.630043199853904
Energy: 0.6986385806920661
Energy: 0.6896744586955134
Energy: 0.6986385806888497
Energy: 0.6294632065552456
Energy: 0.6257667830300818
Energy: 0.64733484126816
Energy: 0.6257667830320116
Energy: 0.6533703807566036
Energy: 0.6268511086237942
Energy: 0.6313330767656473
Energy: 0.6268511086237942
Energy: 0.625421373151437
Energy: 0.6261483949200324
Energy: 0.752519596485712
Energy: 0.6261483949219622
Energy: 0.7726117533211188
Energy: 0.6330978517980239
Energy: 0.6299544267319092
Energy: 0.6330978517973807
Energy: 0.7717477633909106
Energy: 0.6342999830802185
Energy: 0.6276640463403832
Energy: 0.6342999830795751
Energy: 0.6269160335510533
Energy: 0.6249005735703385
Energy: 0.6255724583918184
Energy: 0.6249005735716251
Energy: 0.7509859281498579
Energy: 0.6262294630958507
Energy: 0.6261734570775779
Energy: 0.6262294630958507
Energy: 0.6891742469367423
Energy: 0.6259517753704481
Energy: 0.6271289061348463
Energy: 0.6259517753710915
Energy: 0.7203992781950502
Energy: 0.7204392195974966
Energy: 0.8849975961142934
Energy: 0.72043921959621
Energy: 0.6285397045456848
Energy: 0.6572259246971481
Energy: 0.6273630664870554
Energy: 0.6572259246965049
Energy: 0.6910265404654414
Energy: 0.6573638981457779
Energy: 0.6263259672958098
Energy: 0.6573638981438481
Energy: 0.627181371067033
Energy: 0.6317411759881291
Energy: 0.6308888437555502
Energy: 0.6317411759874857
Energy: 0.7867732996746454
Energy: 0.6566621753414384
Energy: 0.7268479276452741
Energy: 0.6566621753407952

minimum gb energy = 0.6230490424118658 eV
minimum distance =  2.5389493641236 Angstroms
sigma value = 29


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

Energy: 0.5605679104059186
Energy: 0.6910868408538253
Energy: 0.6636381419726274
Energy: 0.5608953939730775
Energy: 0.7013527899252455
Energy: 0.6184977662977105
Energy: 0.5698363378446378
Energy: 0.6184977662974865
Energy: 0.6650760903701533
Energy: 0.5972083168138766
Energy: 0.5664759973600036
Energy: 0.5972083168136526
Energy: 0.5607600660048557
Energy: 0.5694164124290128
Energy: 0.5715593957954161
Energy: 0.5694164124285647
Energy: 0.6633929408879395
Energy: 0.5695246251405562
Energy: 0.5606392422141178
Energy: 0.5695246251403322
Energy: 0.5704864295416721
Energy: 0.5954512957440514
Energy: 0.5606337340353835
Energy: 0.5954512957440514
Energy: 0.5661025146667801
Energy: 0.5975075014267164
Energy: 0.6647239836798772
Energy: 0.5975075014264921
Energy: 0.5693909199138234
Energy: 0.5698019831811012
Energy: 0.5609255556477931
Energy: 0.5698019831811012
Energy: 0.560875345381733
Energy: 0.5697160138513432
Energy: 0.5704325150716347
Energy: 0.5697160138513432

minimum gb energy = 0.5605679104059186 eV
minimum distance =  2.58150476502351 Angstroms
sigma value = 5


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

Energy: 0.7748736353107155
Energy: 0.6957118430233628
Energy: 0.6972613651000458
Energy: 0.5830978923621786
Energy: 0.6280385327180628
Energy: 0.5839722859084098
Energy: 0.6425143244261222
Energy: 0.5839722859084098
Energy: 0.6431923627382755
Energy: 0.587905790577998
Energy: 0.6854275201819551
Energy: 0.587905790577998
Energy: 0.590779809315709
Energy: 0.5838010467770544
Energy: 0.6552531533837984
Energy: 0.5838010467758391
Energy: 0.6187926708487677
Energy: 0.6085254457127918
Energy: 0.6897906960378387
Energy: 0.6085254457127918
Energy: 0.6086907389500268
Energy: 0.6083946967027594
Energy: 0.6898891463626635
Energy: 0.6083946967033671
Energy: 0.5845780188920353
Energy: 0.584850497259788
Energy: 0.6552688734385068
Energy: 0.5848504972591804
Energy: 0.5840763288291623
Energy: 0.5843906144535761
Energy: 0.7774628163829352
Energy: 0.5843906144529684
Energy: 0.6142781496400234
Energy: 0.6678744748399542
Energy: 0.6649081795694964
Energy: 0.6678744748399542
Energy: 0.6821385515881273
Energy: 0.5788409203923512
Energy: 0.5902076596889777
Energy: 0.578840920392959
Energy: 0.613886268795604
Energy: 0.5787366027663207
Energy: 0.5812527252542148
Energy: 0.5787366027663207
Energy: 0.7843071515748274
Energy: 0.5788558869047538
Energy: 0.5787957359683138
Energy: 0.5788558869047538
Energy: 0.7799583835087887
Energy: 0.6676764831374791
Energy: 0.5784372156899308
Energy: 0.6676764831368716
Energy: 0.6241783096661114
Energy: 0.6669622027958877
Energy: 0.6861770368604461
Energy: 0.6669622027952801
Energy: 0.5863230086150147
Energy: 0.6053914732475554
Energy: 0.6902875954786664
Energy: 0.6053914732475554
Energy: 0.5884570501593006
Energy: 0.5845337968971566
Energy: 0.6280303576891773
Energy: 0.5845337968971566
Energy: 0.696920881576899
Energy: 0.5848382716975946
Energy: 0.5923458110412956
Energy: 0.584838271696987
Energy: 0.6426261109978156
Energy: 0.5838710079987585
Energy: 0.5896714751778652
Energy: 0.5838710079993661
Energy: 0.6833480054331631
Energy: 0.6187670387490946
Energy: 0.6419633708813608
Energy: 0.6187670387490946
Energy: 0.6560398908704999
Energy: 0.584382089400282
Energy: 0.5888161205282586
Energy: 0.5843820894008898
Energy: 0.6903581660547871
Energy: 0.6121157088081582
Energy: 0.6545031805807351
Energy: 0.6121157088087659
Energy: 0.6861595616075853
Energy: 0.5842907303667992
Energy: 0.609923548244928
Energy: 0.5842907303661916
Energy: 0.6559560528900853
Energy: 0.5841132835659278
Energy: 0.5858775897501198
Energy: 0.5841132835659278
Energy: 0.7807456959818994
Energy: 0.5843143978688567
Energy: 0.5843779540289092
Energy: 0.5843143978688567
Energy: 0.6649634849357093
Energy: 0.6674950997902153
Energy: 0.6140122529565997
Energy: 0.6674950997908229
Energy: 0.5919860934002554
Energy: 0.579322559942635
Energy: 0.6820005710851482
Energy: 0.5793225599420551
Energy: 0.5937626115777013
Energy: 0.5786133004218958
Energy: 0.6139434836060298
Energy: 0.5786133004218958
Energy: 0.5794216177026055
Energy: 0.5810992680487223
Energy: 0.5902028007019451
Energy: 0.5810992680481146
Energy: 0.5784797927862257
Energy: 0.5783523131768081
Energy: 0.7768460164308695
Energy: 0.5783523131780234
Energy: 0.6908996418042395
Energy: 0.6668427479518784
Energy: 0.614393732547417
Energy: 0.6668427479512707
Energy: 0.6911604731669133
Energy: 0.6038725996228581
Energy: 0.586635891372638
Energy: 0.6038725996228581
Energy: 0.6287232092588646
Energy: 0.5842841898545029
Energy: 0.5858888255964554
Energy: 0.5842841898545029
Energy: 0.5910215748961928
Energy: 0.5841892605854816
Energy: 0.6960109906262599
Energy: 0.5841892605848741

minimum gb energy = 0.5783523131768081 eV
minimum distance =  2.53172065704407 Angstroms
sigma value = 1


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

Energy: 0.8205980172033674
Energy: 0.6801634944385325
Energy: 0.6815875498209514
Energy: 0.563080370366855
Energy: 0.5580537176189718
Energy: 0.5585073132617586
Energy: 0.6398010895733487
Energy: 0.5585073132617586
Energy: 0.6402753945658519
Energy: 0.5581333236398685
Energy: 0.6956449346154352
Energy: 0.5581333236390282
Energy: 0.565563525509583
Energy: 0.5586938104606963
Energy: 0.6543983978932447
Energy: 0.5586938104606963
Energy: 0.5588883300221859
Energy: 0.5587510604716306
Energy: 0.6384984076689595
Energy: 0.5587510604707905
Energy: 0.5590989667455019
Energy: 0.5586551384459845
Energy: 0.6384253232501331
Energy: 0.5586551384451445
Energy: 0.5577641402131336
Energy: 0.5576913313393781
Energy: 0.6524269694043657
Energy: 0.5576913313402181
Energy: 0.558663101254417
Energy: 0.5584089823278936
Energy: 0.8249307275227841
Energy: 0.5584089823278936
Energy: 0.651924797717349
Energy: 0.5900836368346016
Energy: 0.677949913293689
Energy: 0.5900836368346016
Energy: 0.6923803438734215
Energy: 0.5593891042609919
Energy: 0.5581597069663068
Energy: 0.559389104261832
Energy: 0.6518802931710644
Energy: 0.5583945853010408
Energy: 0.5581640935079687
Energy: 0.5583945853002007
Energy: 0.6762621680026979
Energy: 0.5586869498425904
Energy: 0.5589379166992279
Energy: 0.5586869498434306
Energy: 0.825616590832438
Energy: 0.5582154141415662
Energy: 0.5654638534950318
Energy: 0.5582154141415662
Energy: 0.6557115005295806
Energy: 0.5586112040752879
Energy: 0.6400817409198689
Energy: 0.5586112040752879
Energy: 0.5624124683188084
Energy: 0.5582751666513945
Energy: 0.6416289291974182
Energy: 0.5582751666513945
Energy: 0.5624605410151277
Energy: 0.5585673955211944
Energy: 0.622816717275282
Energy: 0.5585673955220346
Energy: 0.6807752445273946
Energy: 0.5588511836287463
Energy: 0.6939506984912379
Energy: 0.5588511836279062
Energy: 0.5660953460304021
Energy: 0.5589157021968334
Energy: 0.6506570998958981
Energy: 0.5589157021976735
Energy: 0.558478705354778
Energy: 0.5594652597536224
Energy: 0.6780608306528169
Energy: 0.5594652597536224
Energy: 0.5592564791754889
Energy: 0.5860601915088377
Energy: 0.8235721734428585
Energy: 0.5860601915096779
Energy: 0.6403580200358094
Energy: 0.591356410854333
Energy: 0.6226089770625385
Energy: 0.591356410854333
Energy: 0.6384408018802532
Energy: 0.5852484595300701
Energy: 0.5587478743525863
Energy: 0.5852484595300701
Energy: 0.6516326940418841
Energy: 0.5577507666715265
Energy: 0.559266812511259
Energy: 0.5577507666715265
Energy: 0.8251216586326503
Energy: 0.5581017945974621
Energy: 0.5594965072244954
Energy: 0.558101794596622

minimum gb energy = 0.5576913313393781 eV
minimum distance =  2.53380982164194 Angstroms
sigma value = 17


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

Energy: 0.8711128956229841
Energy: 0.6801562116874691
Energy: 0.682232784035492
Energy: 0.5564723201649342
Energy: 0.5541703489658535
Energy: 0.552076989871668
Energy: 0.6234270623965376
Energy: 0.5520769898721873
Energy: 0.6828813369087505
Energy: 0.5521102552290971
Energy: 0.6356448962527048
Energy: 0.5521102552280585
Energy: 0.7113416254499279
Energy: 0.5492434975803946
Energy: 0.6055893642336061
Energy: 0.5492434975803946
Energy: 0.5971832330091131
Energy: 0.5489034475763761
Energy: 0.6699283667683893
Energy: 0.5489034475768954
Energy: 0.5493270070057362
Energy: 0.5488986732503655
Energy: 0.6705008829123884
Energy: 0.5488986732503655
Energy: 0.549311720936502
Energy: 0.5483943918649007
Energy: 0.6052428008602657
Energy: 0.5483943918649007
Energy: 0.554691441738102
Energy: 0.5485868955918528
Energy: 0.8705083230781899
Energy: 0.5485868955923721
Energy: 0.6758729635914322
Energy: 0.5487862057476454
Energy: 0.638029401443615
Energy: 0.5487862057466067
Energy: 0.6322895511417717
Energy: 0.5784637974146263
Energy: 0.6031575688144771
Energy: 0.5784637974141069
Energy: 0.6737260385821724
Energy: 0.5526155276326481
Energy: 0.554655846548934
Energy: 0.5526155276321287
Energy: 0.6699795365976821
Energy: 0.5705804862944729
Energy: 0.6144184109094075
Energy: 0.5705804862934342
Energy: 0.6998946142092555
Energy: 0.552379010493147
Energy: 0.5527693917004451
Energy: 0.5523790104921084
Energy: 0.6420256913098553
Energy: 0.5522553664856439
Energy: 0.5541758146545851
Energy: 0.5522553664856439
Energy: 0.7167194649917978
Energy: 0.5524091838109078
Energy: 0.5574556064713753
Energy: 0.5524091838119464
Energy: 0.7076423219202456
Energy: 0.568519605915422
Energy: 0.5571404119757546
Energy: 0.5685196059149028
Energy: 0.5537183906453467
Energy: 0.5526336726426485
Energy: 0.7904774715405513
Energy: 0.5526336726431678
Energy: 0.5549066170223962
Energy: 0.552482286998248
Energy: 0.6774461321526029
Energy: 0.552482286998248
Energy: 0.5525861489176034
Energy: 0.5528405749337526
Energy: 0.6801811917977263
Energy: 0.5528405749337526
Energy: 0.6831063005987311
Energy: 0.5529659942046016
Energy: 0.871300995961276
Energy: 0.5529659942051209
Energy: 0.6230777031627093
Energy: 0.5520088326967123
Energy: 0.6420613638839938
Energy: 0.5520088326972316
Energy: 0.6379208778284833
Energy: 0.5519456188226004
Energy: 0.6839101651794343
Energy: 0.5519456188231197
Energy: 0.6146610124583806
Energy: 0.5483828554872252
Energy: 0.7167433834169745
Energy: 0.5483828554882638
Energy: 0.7249675177174633
Energy: 0.548839251626121
Energy: 0.5488155735435416
Energy: 0.548839251626121
Energy: 0.6707537022371912
Energy: 0.5489715711172628
Energy: 0.5492621650790269
Energy: 0.5489715711183014
Energy: 0.6047382153067314
Energy: 0.548646302124149
Energy: 0.5514080093352722
Energy: 0.5486463021236296
Energy: 0.8707403647445404
Energy: 0.5495668036379858
Energy: 0.5549698291794711
Energy: 0.5495668036390242
Energy: 0.6362077471616899
Energy: 0.5487230554504975
Energy: 0.6687703146534212
Energy: 0.5487230554515362
Energy: 0.6036918762497843
Energy: 0.6515590007321655
Energy: 0.6337822015236423
Energy: 0.6515590007316464
Energy: 0.5556104070590978
Energy: 0.5520721136469162
Energy: 0.6728447289814646
Energy: 0.5520721136458778
Energy: 0.5948400847133096
Energy: 0.5528936347705009
Energy: 0.6695413221606271
Energy: 0.5528936347705009
Energy: 0.5525304134572394
Energy: 0.5528814336328711
Energy: 0.6694852225626551
Energy: 0.5528814336328711
Energy: 0.5524891748855312
Energy: 0.5523555877218977
Energy: 0.6708338530700901
Energy: 0.5523555877224171
Energy: 0.5598755225469746
Energy: 0.5524144184178347
Energy: 0.7117426694242655
Energy: 0.5524144184188733
Energy: 0.6766109350229834
Energy: 0.5708819082930091
Energy: 0.7073247514573656
Energy: 0.5708819082930091
Energy: 0.7901158478256246
Energy: 0.5530068321897512
Energy: 0.5542084716653952
Energy: 0.5530068321892319
Energy: 0.6750225304862395
Energy: 0.552639504624691
Energy: 0.5528751878638428
Energy: 0.552639504624691
Energy: 0.6819394547745905
Energy: 0.582253189621622
Energy: 0.5708461397390469
Energy: 0.5822531896205835

minimum gb energy = 0.5483828554872252 eV
minimum distance =  2.52917769070319 Angstroms
sigma value = 89


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

Energy: 0.8969620979901359
Energy: 0.641909412386971
Energy: 0.6417590544010991
Energy: 0.5264838132244253
Energy: 0.6222866527442548
Energy: 0.6222621646752466
Energy: 0.6042490849353241
Energy: 0.622262164673888
Energy: 0.4911150583574485
Energy: 0.5370846886817312
Energy: 0.6204124773983404
Energy: 0.5370846886817312
Energy: 0.4936584527809264
Energy: 0.49584199929786066
Energy: 0.6056929288948057
Energy: 0.49584199929786066
Energy: 0.495826463924626
Energy: 0.6178393211938729
Energy: 0.6197599091012452
Energy: 0.6178393211938729
Energy: 0.4962822587907474
Energy: 0.6182617452738491
Energy: 0.6187656362553903
Energy: 0.6182617452738491
Energy: 0.4959803845565548
Energy: 0.4943787077585833
Energy: 0.6241379325830976
Energy: 0.494378707759942
Energy: 0.4952176364757259
Energy: 0.4948529748860915
Energy: 0.7104141024482212
Energy: 0.4948529748860915
Energy: 0.6048262292509037
Energy: 0.6179246944634385
Energy: 0.7107231035499704
Energy: 0.6179246944634385
Energy: 0.6208573392808291
Energy: 0.536062354699703
Energy: 0.5484424656396453
Energy: 0.536062354699703
Energy: 0.6233300602567692
Energy: 0.5356523981547076
Energy: 0.49112591722007076
Energy: 0.5356523981547076
Energy: 0.6181154362831385
Energy: 0.6177173230745425
Energy: 0.4954441307814818
Energy: 0.6177173230745425
Energy: 0.6172607161001147
Energy: 0.49479262673723673
Energy: 0.49464255976340027
Energy: 0.4947926267385955
Energy: 0.6058290926420414
Energy: 0.4943638703804764
Energy: 0.4946351032349521
Energy: 0.4943638703804764
Energy: 0.7103052134156398
Energy: 0.4946681031797151
Energy: 0.49455514768875775
Energy: 0.4946681031797151

minimum gb energy = 0.4911150583574485 eV
minimum distance =  2.5522010186773 Angstroms
sigma value = 13


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

Energy: 0.7977227088725891
Energy: 0.6319123247685098
Energy: 0.6382572591925907
Energy: 0.5031691689803416
Energy: 0.637532601479206
Energy: 0.48545001523305664
Energy: 0.5415347195891278
Energy: 0.48545001523305664
Energy: 0.6920903693917534
Energy: 0.4851196933267332
Energy: 0.5634641228474555
Energy: 0.48511969332616367
Energy: 0.6332315241716411
Energy: 0.6059454557517858
Energy: 0.5382110061309362
Energy: 0.6059454557523554
Energy: 0.5430532216915175
Energy: 0.5108461743538157
Energy: 0.6628592640750245
Energy: 0.5108461743543853
Energy: 0.5405067099513016
Energy: 0.4852517756959297
Energy: 0.6604363819314146
Energy: 0.4852517756942212
Energy: 0.5574077955754534
Energy: 0.48527416306655924
Energy: 0.6385483648071054
Energy: 0.48527416306769827
Energy: 0.49120328446186773
Energy: 0.48594478883326975
Energy: 0.7500258369465225
Energy: 0.4859447888327002
Energy: 0.5010399967114229
Energy: 0.49882661049119564
Energy: 0.7506374273750801
Energy: 0.4988266104900566
Energy: 0.4917382550949932
Energy: 0.4855052984440368
Energy: 0.7550874119765829
Energy: 0.48550529844460627
Energy: 0.48955981594537384
Energy: 0.48951737563702163
Energy: 0.7978065475709034
Energy: 0.4895173756358826
Energy: 0.6416052458348814
Energy: 0.4853679943296638
Energy: 0.5397847460664906
Energy: 0.4853679943290943
Energy: 0.6686923925293662
Energy: 0.5100503099653891
Energy: 0.640017021683134
Energy: 0.5100503099648197
Energy: 0.637652570628056
Energy: 0.48569009331536606
Energy: 0.6337345406664054
Energy: 0.48569009331650503
Energy: 0.7503855168091245
Energy: 0.48605221274910415
Energy: 0.5401668516045395
Energy: 0.48605221274739563
Energy: 0.7501319254982053
Energy: 0.485991796441183
Energy: 0.49144822587504466
Energy: 0.48599179644459994
Energy: 0.6368462781719951
Energy: 0.48574378196418655
Energy: 0.4886912858315529
Energy: 0.485743781961339
Energy: 0.6847231016498079
Energy: 0.48588775798129463
Energy: 0.49215659312805804
Energy: 0.48588775798300315
Energy: 0.8122973467610394
Energy: 0.4889779821453587
Energy: 0.5364789865072831
Energy: 0.4889779821453587
Energy: 0.6416766357527596
Energy: 0.4852154828461197
Energy: 0.5593670105221518
Energy: 0.4852154828449806
Energy: 0.6322841426504013
Energy: 0.48575858767254754
Energy: 0.5359636832038925
Energy: 0.48575858767197805
Energy: 0.6426158093143849
Energy: 0.5089904878402546
Energy: 0.6420265976698745
Energy: 0.5089904878425328
Energy: 0.5409299072268474
Energy: 0.4856984185735805
Energy: 0.6680240400767797
Energy: 0.48569841857301094
Energy: 0.4853646876172813
Energy: 0.4850139941834113
Energy: 0.7511099126725054
Energy: 0.4850139941834113
Energy: 0.5369045588545331
Energy: 0.4858336257178579
Energy: 0.7493210106299635
Energy: 0.48583362571728833
Energy: 0.4877121397191897
Energy: 0.4857736596056554
Energy: 0.7494149930996611
Energy: 0.4857736596056554
Energy: 0.485891941003797
Energy: 0.4853065669310576
Energy: 0.7526353649084382
Energy: 0.48530656692821006
Energy: 0.4852732827047857
Energy: 0.4858186195468486
Energy: 0.6857450754859591
Energy: 0.4858186195440011
Energy: 0.6397993668985695
Energy: 0.48552567369592775
Energy: 0.8132389264629737
Energy: 0.4855256736953583
Energy: 0.558960985343765
Energy: 0.5115278689006184
Energy: 0.6374477314556769
Energy: 0.5115278689006184
Energy: 0.6366265542587978
Energy: 0.5133061937312338
Energy: 0.6319501910575506
Energy: 0.5133061937312338
Energy: 0.7504137932128195
Energy: 0.4858130318339632
Energy: 0.5352356669885573
Energy: 0.4858130318339632
Energy: 0.7499602684718166
Energy: 0.4860984166289014
Energy: 0.4856532681634604
Energy: 0.48609841663174885
Energy: 0.7093889095182371
Energy: 0.4855297355295531
Energy: 0.48609996659939325
Energy: 0.48552973553012263
Energy: 0.8124099778862554
Energy: 0.48573200924672694
Energy: 0.49020023283005265
Energy: 0.4857320092484354

minimum gb energy = 0.4850139941834113 eV
minimum distance =  2.5459842774189 Angstroms
sigma value = 37


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

Energy: 0.7860966254143128
Energy: 0.4561783825014424
Energy: 0.6033052701457592
Energy: 0.4722509450872669
Energy: 0.6577776059335657
Energy: 0.4554782423149634
Energy: 0.5552716002951319
Energy: 0.4554782423149634
Energy: 0.6906620369409137
Energy: 0.4551783108354283
Energy: 0.555751823201098
Energy: 0.4551783108354283
Energy: 0.6908496172666984
Energy: 0.4964906371185974
Energy: 0.5474607628131152
Energy: 0.4964906371185974
Energy: 0.565188382321966
Energy: 0.4986267604986169
Energy: 0.6086599259902138
Energy: 0.4986267604986169
Energy: 0.5039274847554697
Energy: 0.45172589226716625
Energy: 0.755657316919492
Energy: 0.45172589226716625
Energy: 0.5073116071117005
Energy: 0.45170178059465427
Energy: 0.6269191055415723
Energy: 0.45170178059563404
Energy: 0.5096839242759555
Energy: 0.440917051302209
Energy: 0.8041233169639996
Energy: 0.4409170513012292
Energy: 0.49891649609642036
Energy: 0.44113452951268534
Energy: 0.8042505959942032
Energy: 0.4411345295136651
Energy: 0.49687200768076034
Energy: 0.4411034894871501
Energy: 0.7445011267084686
Energy: 0.44110348948617023
Energy: 0.49812242200165385
Energy: 0.4982723337651077
Energy: 0.6980885854184147
Energy: 0.4982723337651077
Energy: 0.5899738184159257
Energy: 0.4409463545404564
Energy: 0.627441317695324
Energy: 0.44094635453947656
Energy: 0.5893183289899089
Energy: 0.44060394195215447
Energy: 0.6905460619616738
Energy: 0.44060394195215447
Energy: 0.5900381109213353
Energy: 0.4811775359481431
Energy: 0.6905959382212704
Energy: 0.4811775359510603
Energy: 0.6086599259902138
Energy: 0.4811769266541551
Energy: 0.5408670761257783
Energy: 0.4811769266541551
Energy: 0.7718277828124943
Energy: 0.48050647798714907
Energy: 0.5031007734519503
Energy: 0.48050647798714907
Energy: 0.6586038915260513
Energy: 0.4553544366664242
Energy: 0.5073450745566351
Energy: 0.4553544366664242
Energy: 0.8041233169639996
Energy: 0.4558210148658738
Energy: 0.4658089553697898
Energy: 0.4558210148658738
Energy: 0.8042505959942032
Energy: 0.45573165392721315
Energy: 0.4554881656247224
Energy: 0.45573165392721315
Energy: 0.8057225364760506
Energy: 0.4558488938737151
Energy: 0.4559000720955242
Energy: 0.4558488938737151

minimum gb energy = 0.44060394195215447 eV
minimum distance =  2.54315433363517 Angstroms
sigma value = 25


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

Energy: 0.8563216749278654
Energy: 0.40118944547277596
Energy: 0.5575002761241998
Energy: 0.40969306374794645
Energy: 0.7618075098575723
Energy: 0.4005019022528758
Energy: 0.4744621906140041
Energy: 0.4005019022528758
Energy: 0.7594712525921121
Energy: 0.3997807052417391
Energy: 0.4776635064056443
Energy: 0.3997807052417391
Energy: 0.5953920936926094
Energy: 0.4003538243262357
Energy: 0.47415880495541274
Energy: 0.400353824328531
Energy: 0.6562931024992747
Energy: 0.5259437712727819
Energy: 0.6569289554895479
Energy: 0.5259437712727819
Energy: 0.5490646794301989
Energy: 0.43106124818627234
Energy: 0.6589921978657035
Energy: 0.43106124818627234
Energy: 0.5523265499354999
Energy: 0.525934833584761
Energy: 0.6572449770739551
Energy: 0.525934833583996
Energy: 0.47426867146804214
Energy: 0.4001399109170611
Energy: 0.726350466594722
Energy: 0.4001399109170611
Energy: 0.47758945937980307
Energy: 0.3999093205663753
Energy: 0.8436264332545792
Energy: 0.3999093205663753
Energy: 0.47803868194939375
Energy: 0.40038200485145226
Energy: 0.7638809011393497
Energy: 0.4003820048506872
Energy: 0.40057420018440454
Energy: 0.4002821395173277
Energy: 0.7251094165955344
Energy: 0.4002821395173277
Energy: 0.4034454696402314
Energy: 0.40041845382065133
Energy: 0.7636992608413563
Energy: 0.40041845382065133
Energy: 0.40122474149632364
Energy: 0.39980986860315326
Energy: 0.8415467282883351
Energy: 0.39980986860315326
Energy: 0.41499725121828557
Energy: 0.40043579911753335
Energy: 0.8554029544118044
Energy: 0.4004357991182984
Energy: 0.47781755678790705
Energy: 0.39978453356590365
Energy: 0.7623860762474326
Energy: 0.39978453356590365
Energy: 0.47867430768091374
Energy: 0.3998875543131178
Energy: 0.7594789969381313
Energy: 0.3998875543131178
Energy: 0.47408678653663056
Energy: 0.5253179989750177
Energy: 0.7590113871873487
Energy: 0.5253179989742526
Energy: 0.4982963709655321
Energy: 0.4340152707732608
Energy: 0.6587688268667897
Energy: 0.4340152707732608
Energy: 0.6575841064281849
Energy: 0.5255204309503367
Energy: 0.5515347611617474
Energy: 0.5255204309503367
Energy: 0.657182980560296
Energy: 0.5260081464419702
Energy: 0.5494857242422653
Energy: 0.5260081464419702
Energy: 0.7259753801168761
Energy: 0.40007040819868955
Energy: 0.4764435733761125
Energy: 0.40007040819868955
Energy: 0.8437400375708689
Energy: 0.3996097147161117
Energy: 0.4007438275908401
Energy: 0.3996097147161117
Energy: 0.8421159650482903
Energy: 0.40023858314323607
Energy: 0.4742926543593181
Energy: 0.40023858314323607
Energy: 0.7260473850665682
Energy: 0.4002772853183999
Energy: 0.401226370355252
Energy: 0.4002772853176349
Energy: 0.7627027202899054
Energy: 0.40022039589345765
Energy: 0.4004841015957609
Energy: 0.40022039589345765
Energy: 0.7582003694812516
Energy: 0.4000276055199574
Energy: 0.4005245889552029
Energy: 0.4000276055199574

minimum gb energy = 0.3996097147161117 eV
minimum distance =  2.55702620517058 Angstroms
sigma value = 41


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

Energy: 0.9565344047749567
Energy: 0.36671790693861733
Energy: 0.5304921285989762
Energy: 0.3784169372366487
Energy: 0.8318437788764391
Energy: 0.3662886297182015
Energy: 0.42681234054634576
Energy: 0.3662886297182015
Energy: 0.8280018609056808
Energy: 0.3658077375419887
Energy: 0.42919207376963536
Energy: 0.3658077375413615
Energy: 0.6774803525266411
Energy: 0.36645393411821947
Energy: 0.42594514061920513
Energy: 0.3664539341188468
Energy: 0.7590231647830573
Energy: 0.47626471050865027
Energy: 0.5879438070943206
Energy: 0.4762647105092775
Energy: 0.6814525861899965
Energy: 0.48178569076926625
Energy: 0.5844191431307432
Energy: 0.48178569076926625
Energy: 0.6780542695451368
Energy: 0.5809615327054642
Energy: 0.5846310341228043
Energy: 0.5809615327054642
Energy: 0.5864225330434191
Energy: 0.48200948738095345
Energy: 0.6272975072917842
Energy: 0.4820094873828352
Energy: 0.48788825060120705
Energy: 0.47759855866514106
Energy: 0.7572813826755086
Energy: 0.4775985586645138
Energy: 0.4875270795460502
Energy: 0.4764062360316103
Energy: 0.754510069952933
Energy: 0.4764062360316103
Energy: 0.42733023182460117
Energy: 0.3662936828646323
Energy: 0.8454658158457702
Energy: 0.36629368286714137
Energy: 0.42862194514607693
Energy: 0.36578260219482545
Energy: 0.9002747862473829
Energy: 0.36578260219482545
Energy: 0.4269410351330556
Energy: 0.3667229236631169
Energy: 0.895978684556742
Energy: 0.3667229236631169
Energy: 0.36681343494512264
Energy: 0.36662791449901894
Energy: 0.7523359339040402
Energy: 0.36662791449901894
Energy: 0.36752082060869207
Energy: 0.3665959807281777
Energy: 0.8303519077364867
Energy: 0.3665959807281777
Energy: 0.37162752977450275
Energy: 0.36680656626508384
Energy: 0.8265095210616766
Energy: 0.3668065662644566
Energy: 0.43431712578378867
Energy: 0.36700585958911613
Energy: 0.8264488131960072
Energy: 0.36700585958911613
Energy: 0.44421413683556543
Energy: 0.36570422636488253
Energy: 0.8293368399429935
Energy: 0.36570422636425526
Energy: 0.4282723895086971
Energy: 0.3659876646580929
Energy: 0.683524499619653
Energy: 0.36598766465746563
Energy: 0.5856683034980591
Energy: 0.4759416624068899
Energy: 0.681923723746875
Energy: 0.4759416624068899
Energy: 0.6283302802558989
Energy: 0.476140689485963
Energy: 0.7553462463294333
Energy: 0.476140689485963
Energy: 0.5863928210710118
Energy: 0.5831794092898827
Energy: 0.6782133881752613
Energy: 0.5831794092892554
Energy: 0.7572825112574533
Energy: 0.5790565257706783
Energy: 0.6794582473895348
Energy: 0.5790565257706783
Energy: 0.5909084062467138
Energy: 0.4817669795833591
Energy: 0.5857959318410044
Energy: 0.4817669795833591
Energy: 0.7551863867771628
Energy: 0.47683425287307235
Energy: 0.5217657431871912
Energy: 0.4768342528749542
Energy: 0.7537872801913603
Energy: 0.47619595687770766
Energy: 0.5842270119965939
Energy: 0.4761959568783349
Energy: 0.7531873493571435
Energy: 0.4754204254368204
Energy: 0.42822225228108735
Energy: 0.4754204254368204
Energy: 0.8283407763631172
Energy: 0.36725253851018963
Energy: 0.431588894324579
Energy: 0.36725253851081685
Energy: 0.7531642512759674
Energy: 0.3666281403601052
Energy: 0.42836037641630254
Energy: 0.36662814035696895
Energy: 0.7529329689196259
Energy: 0.366729996669343
Energy: 0.3670218561883993
Energy: 0.366729996669343
Energy: 0.8288782322235376
Energy: 0.3662493924698622
Energy: 0.36742927338368525
Energy: 0.3662493924698622
Energy: 0.826302408302505
Energy: 0.3675221432349876
Energy: 0.36712803778317366
Energy: 0.36752214323561483

minimum gb energy = 0.36570422636425526 eV
minimum distance =  2.55750482400121 Angstroms
sigma value = 15


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

Energy: 0.8330783988462823
Energy: 0.34149398201324566
Energy: 0.5085618424663726
Energy: 0.3547148516937982
Energy: 0.8808713668487198
Energy: 0.33895491788950155
Energy: 0.39002925677534606
Energy: 0.33895491789003296
Energy: 0.8805356963862094
Energy: 0.3404785804395531
Energy: 0.3930081783534955
Energy: 0.3404785804395531
Energy: 0.7493004562740169
Energy: 0.3407803308008684
Energy: 0.39062978445459823
Energy: 0.34078033079874287
Energy: 0.8177019643083463
Energy: 0.437192413235645
Energy: 0.528861041720783
Energy: 0.437192413235645
Energy: 0.7553677519824512
Energy: 0.34020492173646855
Energy: 0.5259113519463359
Energy: 0.34020492175028433
Energy: 0.6135296633092175
Energy: 0.5388278249650035
Energy: 0.5264015047340899
Energy: 0.5388278249650035
Energy: 0.6857676133373882
Energy: 0.5303360553618239
Energy: 0.5310135876612171
Energy: 0.5303360553618239
Energy: 0.6125198769188888
Energy: 0.5369448894366327
Energy: 0.6808427404745766
Energy: 0.5369448894366327
Energy: 0.6105939597022688
Energy: 0.5353029654624961
Energy: 0.681164162145706
Energy: 0.5353029654624961
Energy: 0.5312078361824276
Energy: 0.341439631313641
Energy: 0.7390704040418202
Energy: 0.34143963131470373
Energy: 0.44252305233455136
Energy: 0.4369927242872484
Energy: 0.8136791846183056
Energy: 0.43699272428671704
Energy: 0.5273801619700812
Energy: 0.4362627170708305
Energy: 0.8165486655403983
Energy: 0.43626271707029907
Energy: 0.39802485818377775
Energy: 0.34064899753031574
Energy: 0.6893592545520464
Energy: 0.34064899753244127
Energy: 0.4049592653480875
Energy: 0.3400542986161868
Energy: 0.8744338509494934
Energy: 0.3400542986167182
Energy: 0.39495944770485636
Energy: 0.33955303466745623
Energy: 0.8172990989851826
Energy: 0.3395530346669248
Energy: 0.3459607683914763
Energy: 0.33961872172110574
Energy: 0.8110769236440707
Energy: 0.33961872172110574
Energy: 0.3392510914945503
Energy: 0.3396227303426708
Energy: 0.8751275859349555
Energy: 0.3396227303437336
Energy: 0.3460612340381935
Energy: 0.3402124018474458
Energy: 0.7569374521682434
Energy: 0.3402124018479772
Energy: 0.39607368088394107
Energy: 0.3396031742426057
Energy: 0.8727679676506632
Energy: 0.33960317424154296
Energy: 0.40350385369657565
Energy: 0.3407049719171258
Energy: 0.8749687507250695
Energy: 0.3407049719155317
Energy: 0.3981308533715123
Energy: 0.3400782032489175
Energy: 0.7492005701015896
Energy: 0.3400782032499803
Energy: 0.5264657927773939
Energy: 0.3407302357491096
Energy: 0.752431542617047
Energy: 0.34073023575123507
Energy: 0.5303825062407006
Energy: 0.43740479718920017
Energy: 0.814005069707903
Energy: 0.43740479718920017
Energy: 0.5336723494588133
Energy: 0.44600881624013655
Energy: 0.6452147950290227
Energy: 0.4460088162427935
Energy: 0.6834849279462977
Energy: 0.5349892013953059
Energy: 0.7559823071149616
Energy: 0.5349892013947746
Energy: 0.5274557467644442
Energy: 0.5364740575087467
Energy: 0.6816392830813737
Energy: 0.536474057509278
Energy: 0.6867087663397187
Energy: 0.530772022351236
Energy: 0.6452781954689727
Energy: 0.5307720223507046
Energy: 0.6856726492781742
Energy: 0.5380469225590215
Energy: 0.6184614942345171
Energy: 0.5380469225595528
Energy: 0.682979935627587
Energy: 0.4480176808934648
Energy: 0.5276074586148488
Energy: 0.4480176808929334
Energy: 0.8161903517900095
Energy: 0.4366098321379333
Energy: 0.4423238915171218
Energy: 0.4366098321379333
Energy: 0.6875313838448912
Energy: 0.34096149622964805
Energy: 0.45695683207404
Energy: 0.34096149622964805
Energy: 0.8168873770622833
Energy: 0.3390900544961985
Energy: 0.39334593316467875
Energy: 0.3390900544961985
Energy: 0.8797338386289583
Energy: 0.3390085970426167
Energy: 0.39324657505785915
Energy: 0.3390085970426167
Energy: 0.9277134919886337
Energy: 0.3394570759879559
Energy: 0.34938285310512046
Energy: 0.3394570759868931
Energy: 0.8806972340127182
Energy: 0.3397763450649094
Energy: 0.34049360670092693
Energy: 0.3397763450649094
Energy: 0.8787284159481912
Energy: 0.33997678254335595
Energy: 0.3416345345424432
Energy: 0.3399767825428246

minimum gb energy = 0.33895491788950155 eV
minimum distance =  2.55553232393555 Angstroms
sigma value = 85


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

Energy: 0.8947279730991856
Energy: 0.30619702741752985
Energy: 0.3061030393766127
Energy: 0.31487837203146224
Energy: 0.8441635396280036
Energy: 0.3053580881647989
Energy: 0.34966103526092107
Energy: 0.3053580881647989
Energy: 0.7873777013356541
Energy: 0.30537165612804934
Energy: 0.3529172792597595
Energy: 0.3053716561285102
Energy: 0.7289733236666477
Energy: 0.30555849610289487
Energy: 0.3510724139803005
Energy: 0.305558496102434
Energy: 0.8441444400412212
Energy: 0.39134635445075977
Energy: 0.4696811018363118
Energy: 0.39134635445168153
Energy: 0.6709996698995224
Energy: 0.305332785351185
Energy: 0.46929443555435046
Energy: 0.30533278535072417
Energy: 0.6709282973156112
Energy: 0.40552892516222877
Energy: 0.6011130850123917
Energy: 0.40552892516222877
Energy: 0.731585615153751
Energy: 0.4821094844039451
Energy: 0.468654686953422
Energy: 0.482109484404406
Energy: 0.6712133470646332
Energy: 0.49396379746916846
Energy: 0.6088059579942631
Energy: 0.49396379746916846
Energy: 0.6713988482648839
Energy: 0.4922757761428574
Energy: 0.6800156239541075
Energy: 0.4922757761423965
Energy: 0.6087408816894575
Energy: 0.4847833937861035
Energy: 0.649388681549328
Energy: 0.4847833937861035
Energy: 0.5454457784160137
Energy: 0.4054169771158258
Energy: 0.731210657675078
Energy: 0.4054169771158258
Energy: 0.6083058403215943
Energy: 0.4824617572484029
Energy: 0.7318640571371238
Energy: 0.48246175724884277
Energy: 0.4687198194776146
Energy: 0.40542075468115
Energy: 0.6068269577821601
Energy: 0.4054207546816109
Energy: 0.41712932037704054
Energy: 0.39168854275377585
Energy: 0.8441181968520732
Energy: 0.391688542753315
Energy: 0.4692830665712585
Energy: 0.39159050001061657
Energy: 0.729185018480602
Energy: 0.39159050001015566
Energy: 0.3498504079853946
Energy: 0.3062823724421517
Energy: 0.7290461257799575
Energy: 0.3062823724421517
Energy: 0.36081140379233956
Energy: 0.3069383444488749
Energy: 0.8980951782795203
Energy: 0.30693834444841395
Energy: 0.351106954481968
Energy: 0.30538294462009524
Energy: 0.8412548112863112
Energy: 0.30538294462009524
Energy: 0.3069208606289148
Energy: 0.30576247943485024
Energy: 0.8410503590702372
Energy: 0.30576247943438933
Energy: 0.3060617747048703
Energy: 0.30564434287461834
Energy: 0.8987590095922038
Energy: 0.30564434287461834
Energy: 0.30553477131474827
Energy: 0.30537895209076626
Energy: 0.7866491565722231
Energy: 0.30537895209030547
Energy: 0.34962361126946406
Energy: 0.3056593288325302
Energy: 0.8949842241256933
Energy: 0.3056593288320694
Energy: 0.35100425325436285
Energy: 0.30542635898283227
Energy: 0.898189177790863
Energy: 0.3054263589832931
Energy: 0.35275730611441786
Energy: 0.3056978448582909
Energy: 0.7287701524911726
Energy: 0.3056978448596735
Energy: 0.4690480505366206
Energy: 0.3914592548457157
Energy: 0.8436899630172688
Energy: 0.3914592548461766
Energy: 0.46913072293144187
Energy: 0.39165410395926364
Energy: 0.7904827907761913
Energy: 0.39165410395926364
Energy: 0.46934819411751133
Energy: 0.3064349815614127
Energy: 0.7296202735597157
Energy: 0.3064349815650996
Energy: 0.6089585982987732
Energy: 0.48229760192159865
Energy: 0.7315361211932186
Energy: 0.48229760192159865
Energy: 0.6094158852799514
Energy: 0.4847130255273754
Energy: 0.672640402908968
Energy: 0.48471302552783624
Energy: 0.608786079418468
Energy: 0.4914324827965512
Energy: 0.5454994158574697
Energy: 0.4914324827960904
Energy: 0.6077030655363215
Energy: 0.4913375618800976
Energy: 0.6088152292763769
Energy: 0.4913375618800976
Energy: 0.7326582837279753
Energy: 0.4054285481086822
Energy: 0.5425864802395732
Energy: 0.405428548109143
Energy: 0.7317125944376912
Energy: 0.48234260906516296
Energy: 0.5430347303433567
Energy: 0.4823426090656239
Energy: 0.6485821597333792
Energy: 0.30629601955407676
Energy: 0.4688121683930221
Energy: 0.30629601955361596
Energy: 0.8437230464605958
Energy: 0.39179643887020177
Energy: 0.4694725571314968
Energy: 0.39179643886974097
Energy: 0.8422379975503442
Energy: 0.39141379441180935
Energy: 0.4689972300905183
Energy: 0.39141379441180935
Energy: 0.7290796242574444
Energy: 0.30550829302158294
Energy: 0.3499154705947856
Energy: 0.3055082930225047
Energy: 0.9000957112416493
Energy: 0.30525572478623236
Energy: 0.35123437431761034
Energy: 0.3052557247857715
Energy: 0.8411710391157794
Energy: 0.3054970814840796
Energy: 0.3496554526248867
Energy: 0.3054970814836187
Energy: 0.7289463447119252
Energy: 0.3056042888491651
Energy: 0.3063231889069461
Energy: 0.3056042888514694
Energy: 0.8986595760167284
Energy: 0.3055826167126988
Energy: 0.3058791194598352
Energy: 0.3055826167131596
Energy: 0.7864259484319336
Energy: 0.30550606260232316
Energy: 0.30890511718633873
Energy: 0.3055060626014014

minimum gb energy = 0.3052557247857715 eV
minimum distance =  2.56563493422911 Angstroms
sigma value = 113


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

Energy: 0.011713306566490054
Energy: 0.23912071378941033
Energy: 0.6957608660293956
Energy: 0.013589778548329434
Energy: 0.5236467113371958
Energy: 0.06347452635030694
Energy: 0.5230385176898832
Energy: 0.06347452635030694
Energy: 0.012750776901277001
Energy: 0.06206731215871166
Energy: 0.5211291714514289
Energy: 0.06206731215904626
Energy: 0.013135527430138601
Energy: 0.061529216181973594
Energy: 0.5210667363106384
Energy: 0.061529216182308194
Energy: 0.520883856800679
Energy: 0.06149750248146812
Energy: 0.5207359436290266
Energy: 0.0614975024818224
Energy: 0.012145886562999145
Energy: 0.061845841134724786
Energy: 0.5210680864774933
Energy: 0.061845841134016206

minimum gb energy = 0.011713306566490054 eV
minimum distance =  2.82305298506177 Angstroms
sigma value = 1