Model name: model_name=EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.587871603667736
cohesive_energy=3.5216851723143447
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -5.69299980837746e-26 eV

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

Energy: 0.013828050460029868
Energy: 0.014336905965498756
Energy: 0.9530217257187088
Energy: 0.014336905965498756
Energy: 0.014336905965498756
Energy: 0.7725143037989612
Energy: 0.014336905965498756
Energy: 0.7725143037983245
Energy: 0.9530217257187088
Energy: 0.014336905965498756
Energy: 0.013828050460666605
Energy: 0.014336905965498756
Energy: 0.014336905965498756
Energy: 0.7725143037989612
Energy: 0.014336905965498756
Energy: 0.7725143037989612

minimum gb energy = 0.013828050460029868 eV
minimum distance =  2.46238469720537 Angstroms
sigma value = 1


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

Energy: 0.9448806266086363
Energy: 0.9390324609207962
Energy: 0.882825739580261
Energy: 0.9390324609207962
Energy: 0.8945027343525492
Energy: 0.9327289762084521
Energy: 0.883831457448861
Energy: 0.9327289762084521
Energy: 0.8563946079194674
Energy: 0.9282969070298447
Energy: 0.8831924299647052
Energy: 0.9282969070298447
Energy: 0.876053207131124
Energy: 0.9497627270301542
Energy: 0.8665108267891678
Energy: 0.9497627270301542
Energy: 0.8785411776355277
Energy: 0.9409764854116524
Energy: 0.888590451318727
Energy: 0.9409764854116524
Energy: 0.8480676326426627
Energy: 0.9397395379568126
Energy: 0.8393913283548722
Energy: 0.9397395379568126
Energy: 0.8974350790757866
Energy: 0.9280481322429627
Energy: 0.8494910527686722
Energy: 0.9280481322429627
Energy: 0.8004335189034252
Energy: 0.9403484475324858
Energy: 0.8383205058161887
Energy: 0.9403484475324858
Energy: 0.8676144273110306
Energy: 0.8862428638517177
Energy: 0.8915782698678145
Energy: 0.8862428638517177
Energy: 0.8357230415654914
Energy: 0.927846733532749
Energy: 0.7954840456153428
Energy: 0.927846733532749
Energy: 0.883538188030125
Energy: 0.9313421988552284
Energy: 0.8679870763419661
Energy: 0.9313421988552284
Energy: 0.8684012733319438
Energy: 0.9402671596234928
Energy: 0.8446455018070417
Energy: 0.9402671596234928
Energy: 0.8831929886497102
Energy: 0.9275942202563878
Energy: 0.8973439336114906
Energy: 0.9275942202563878
Energy: 0.8879065815178347
Energy: 0.9351867276467947
Energy: 0.8602584312542578
Energy: 0.9351867276467947
Energy: 0.8835475391985707
Energy: 0.9387725020532881
Energy: 0.8828192367608678
Energy: 0.9387725020532881
Energy: 0.8901932776619689
Energy: 0.9390527460916287
Energy: 0.8831900993792757
Energy: 0.9390527460924011
Energy: 0.8832644277025467
Energy: 0.9282311238234074
Energy: 0.8189993148450666
Energy: 0.9282311238226351
Energy: 0.8848230293285558
Energy: 0.9302736119945371
Energy: 0.8950575313225589
Energy: 0.9302736119945371
Energy: 0.8462592381494688
Energy: 0.9399308091337792
Energy: 0.8443939248372637
Energy: 0.9399308091337792
Energy: 0.8955332974070528
Energy: 0.8861575958187221
Energy: 0.8709299421525343
Energy: 0.8861575958187221
Energy: 0.836680746583509
Energy: 0.9281117152062732
Energy: 0.8151237770574574
Energy: 0.9281117152062732
Energy: 0.8665543061722565
Energy: 0.9388503077160623
Energy: 0.884480933420763
Energy: 0.9388503077168344
Energy: 0.8838237843854414
Energy: 0.9412284201787711
Energy: 0.8390364811385069
Energy: 0.9412284201787711
Energy: 0.8654946221005689
Energy: 0.929172989453969
Energy: 0.8483143681153137
Energy: 0.929172989453969
Energy: 0.849312058137708
Energy: 0.9242278895886822
Energy: 0.8972477178280158
Energy: 0.9242278895886822
Energy: 0.8820904648936142
Energy: 0.9404724557822062
Energy: 0.8387191037431545
Energy: 0.9404724557822062
Energy: 0.8814689231299824
Energy: 0.9353708367501147
Energy: 0.8676243848373889
Energy: 0.9353708367501147
Energy: 0.8375657881261839
Energy: 0.9274746605780916
Energy: 0.8833790451755373
Energy: 0.9274746605773193
Energy: 0.8937247813398519
Energy: 0.9390055947119277
Energy: 0.8832153734926661
Energy: 0.9390055947119277
Energy: 0.8965702551449867
Energy: 0.9393948704252948
Energy: 0.8716866952205653
Energy: 0.9393948704252948
Energy: 0.891753834693604
Energy: 0.9345926324103856
Energy: 0.8828119676566634
Energy: 0.9345926324103856
Energy: 0.8678318311909229
Energy: 0.9286307669183889
Energy: 0.8880063054249545
Energy: 0.9286307669183889
Energy: 0.8785808591768222
Energy: 0.9486197592533705
Energy: 0.8673327498409267
Energy: 0.9486197592533705

minimum gb energy = 0.7954840456153428 eV
minimum distance =  2.29356718442864 Angstroms
sigma value = 1


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

Energy: 1.0097122681518553
Energy: 1.0029240486875408
Energy: 0.9065632786123003
Energy: 1.0029240486875408
Energy: 0.9203465442489714
Energy: 0.9827028418562125
Energy: 0.925058858072453
Energy: 0.9827028418562125
Energy: 0.8796802266363476
Energy: 1.002731801321487
Energy: 0.9246891774175181
Energy: 1.002731801321487
Energy: 0.8943205185878176
Energy: 0.9561662550357951
Energy: 0.8807137038640597
Energy: 0.9561662550366754
Energy: 0.8947370257705927
Energy: 0.98615351817743
Energy: 0.9329091076554595
Energy: 0.98615351817743
Energy: 0.9302180481062134
Energy: 0.9857779766907141
Energy: 0.884249611594897
Energy: 0.9857779766907141
Energy: 0.9199226133333469
Energy: 0.9135655658947175
Energy: 0.911773219483949
Energy: 0.9135655658947175
Energy: 0.8317570685280766
Energy: 1.0025065822783592
Energy: 0.8754064689258828
Energy: 1.0025065822792396
Energy: 0.892815095316001
Energy: 0.9389078018273874
Energy: 0.9244433035647232
Energy: 0.9389078018273874
Energy: 0.8853060682686378
Energy: 1.002485026122571
Energy: 0.8911600299299207
Energy: 1.002485026122571
Energy: 0.9198315053946572
Energy: 0.9649510212634114
Energy: 0.9263680614763914
Energy: 0.9649510212634114
Energy: 0.8637432398211025
Energy: 0.9938287950522208
Energy: 0.9247031232184455
Energy: 0.9938287950522208
Energy: 0.9397198457652369
Energy: 0.9848501565846038
Energy: 0.9089227439515681
Energy: 0.9848501565846038
Energy: 0.939632785057443
Energy: 0.9848582451647645
Energy: 0.9323683579645418
Energy: 0.9848582451647645
Energy: 0.8636316611002869
Energy: 0.9939537000886727
Energy: 0.9267907447710394
Energy: 0.9939537000886727
Energy: 0.9198880387344064
Energy: 0.9648588724224022
Energy: 0.9118647367174132
Energy: 0.9648588724224022
Energy: 0.8852907191375624
Energy: 1.0026669369331696
Energy: 0.8920710708881516
Energy: 1.0026669369331696
Energy: 0.8927978577674819
Energy: 0.9388627980013879
Energy: 0.9244500794824254
Energy: 0.9388627980022685
Energy: 0.8317486970776254
Energy: 1.0025693670244358
Energy: 0.8841466893105162
Energy: 1.0025693670244358
Energy: 0.9198313097623793
Energy: 0.9134551650361095
Energy: 0.8878578938507466
Energy: 0.91345516503699
Energy: 0.9301555068837497
Energy: 0.9857641754034409
Energy: 0.9037757167799152
Energy: 0.9857641754034409
Energy: 0.8947613238839763
Energy: 0.9861362322553175
Energy: 0.905636652285404
Energy: 0.9861362322553175
Energy: 0.8943296930881734
Energy: 0.9563307977924841
Energy: 0.9118938838213863
Energy: 0.9563307977924841
Energy: 0.8797678521492212
Energy: 1.0026885477877392
Energy: 0.9181817256156167
Energy: 1.0026885477877392
Energy: 0.9203073322475469
Energy: 0.9812188519653752
Energy: 0.9251403080780575
Energy: 0.9812188519653752
Energy: 1.0097122681518553
Energy: 1.0029240486884212
Energy: 0.9523742969138668
Energy: 1.0029240486884212
Energy: 0.9203465442489714
Energy: 0.9827028418562125
Energy: 0.925058858072453
Energy: 0.9827028418562125
Energy: 0.8796802266363476
Energy: 1.002731801321487
Energy: 0.9246891774175181
Energy: 1.002731801321487
Energy: 0.8943205185878176
Energy: 0.9561662550357951
Energy: 0.8846106049069609
Energy: 0.9561662550357951

minimum gb energy = 0.8317486970776254 eV
minimum distance =  2.27873689772589 Angstroms
sigma value = 25


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

Energy: 0.9653212432308526
Energy: 1.051153490548524
Energy: 1.02627787993231
Energy: 1.051153490548524
Energy: 0.9818654064928347
Energy: 1.0167352313515472
Energy: 0.9452602750977579
Energy: 1.0167352313515472
Energy: 0.9157009000119073
Energy: 1.0785315277212777
Energy: 0.9456255160038103
Energy: 1.0785315277212777
Energy: 0.9453168085880793
Energy: 1.0233509192459318
Energy: 0.9214337171922117
Energy: 1.0233509192459318
Energy: 0.9227466886242436
Energy: 1.0515475942596615
Energy: 0.908059467093383
Energy: 1.0515475942596615
Energy: 0.9883642622491013
Energy: 1.0787059399402126
Energy: 0.9209390732400253
Energy: 1.0787059399402126
Energy: 0.9459645439193206
Energy: 0.9487203519823377
Energy: 0.9424340898686584
Energy: 0.9487203519823377
Energy: 1.0161116666634906
Energy: 1.051924452124873
Energy: 0.8856331104484814
Energy: 1.051924452124873
Energy: 0.9430113970146463
Energy: 1.0122952952420532
Energy: 0.9461596611569657
Energy: 1.0122952952420532
Energy: 0.9449861069777937
Energy: 1.078480174105996
Energy: 0.9114349513016247
Energy: 1.078480174105996
Energy: 0.9173093247735112
Energy: 1.051287553467522
Energy: 0.9447504236847891
Energy: 1.051287553467522
Energy: 0.9225427329742472
Energy: 1.0512000820818568
Energy: 0.94482903353871
Energy: 1.0512000820818568
Energy: 0.9455388791685169
Energy: 1.021916495011466
Energy: 0.9128911468854899
Energy: 1.021916495011466
Energy: 0.9438309130557904
Energy: 0.9466283874409576
Energy: 0.9813550418634447
Energy: 0.9466283874440282
Energy: 0.9403564210369169
Energy: 1.051776417967276
Energy: 0.8835094576125151
Energy: 1.051776417967276
Energy: 0.9453347070403579
Energy: 0.950667285211516
Energy: 0.9211948531496098
Energy: 0.950667285211516
Energy: 0.87159119208812
Energy: 1.0782125604337243
Energy: 0.8711334006804816
Energy: 1.0782125604337243
Energy: 0.9213929757974706
Energy: 1.0216983138962452
Energy: 0.9730323228415754
Energy: 1.0216983138962452
Energy: 0.9423270810642964
Energy: 1.0222534938906636
Energy: 0.9226295857352541
Energy: 1.0222534938906636
Energy: 0.9208776839160774
Energy: 1.0784278837680346
Energy: 0.9483174087283632
Energy: 1.0784278837680346
Energy: 0.9554649609457972
Energy: 1.0081068531158008
Energy: 0.9459087971780304
Energy: 1.0081068531158008
Energy: 0.9641505066082622
Energy: 1.0514610633011945
Energy: 0.9841754766871713
Energy: 1.0514610633011945
Energy: 0.9458852480253112
Energy: 1.0180148671685896
Energy: 0.9448573422658288
Energy: 1.0180148671685896
Energy: 0.9143839975729338
Energy: 1.0798945121612569
Energy: 0.945127544910492
Energy: 1.0798945121612569
Energy: 0.9447212169665045
Energy: 0.9629698225261758
Energy: 0.9203644071817749
Energy: 0.9629698225261758

minimum gb energy = 0.8711334006804816 eV
minimum distance =  2.28518368400348 Angstroms
sigma value = 9


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

Energy: 1.0212270562534018
Energy: 1.0205710544633348
Energy: 1.0613533388878993
Energy: 1.0205710544633348
Energy: 0.9873836549232387
Energy: 1.0790306117127513
Energy: 1.0067798883898798
Energy: 1.0790306117127513
Energy: 0.9210003196820151
Energy: 1.0142929960044325
Energy: 1.0113217421080423
Energy: 1.0142929960044325
Energy: 1.011800387666993
Energy: 1.0962860490102824
Energy: 0.9378169799728782
Energy: 1.0962860490102824
Energy: 1.0594805731005075
Energy: 1.078208036684895
Energy: 1.0097087898167487
Energy: 1.078208036684895
Energy: 0.91108675422418
Energy: 1.0133237143095482
Energy: 0.938495967446391
Energy: 1.0133237143095482
Energy: 1.010878280115601
Energy: 0.9374027475274166
Energy: 0.9384596552720373
Energy: 0.9374027475274166
Energy: 0.9951397338330222
Energy: 1.013227404056222
Energy: 0.9306738483998781
Energy: 1.013227404056222
Energy: 1.010086695069291
Energy: 1.0787373585838298
Energy: 0.9957240392852611
Energy: 1.0787373585838298
Energy: 1.0142239126604728
Energy: 1.0193027649781827
Energy: 0.9380016276447107
Energy: 1.0193027649781827
Energy: 0.9602579857404436
Energy: 1.0778815234133383
Energy: 0.9949067498110257
Energy: 1.0778815234133383
Energy: 1.0117327072696949
Energy: 1.0451849017345591
Energy: 0.938149091636633
Energy: 1.0451849017345591
Energy: 0.9107832770090301
Energy: 1.0199756041834567
Energy: 0.9940257954259786
Energy: 1.0199756041834567
Energy: 0.9820680393005691
Energy: 1.0126786529197571
Energy: 1.0071667604853722
Energy: 1.0126786529197571
Energy: 0.9107878274060495
Energy: 1.019907752631117
Energy: 0.9950718554173053
Energy: 1.019907752631117
Energy: 1.011731964402264
Energy: 1.0451367182329827
Energy: 0.938041991077915
Energy: 1.0451367182305407
Energy: 0.9600947697536676
Energy: 1.0778475580286067
Energy: 1.0111850060966519
Energy: 1.0778475580286067
Energy: 1.0143320588466669
Energy: 1.0192436572570884
Energy: 0.9380736896797724
Energy: 1.0192436572570884
Energy: 1.010070258824122
Energy: 1.0787638866047942
Energy: 1.0093080174797862
Energy: 1.0787638866047942
Energy: 0.9952780155974261
Energy: 1.013243760437417
Energy: 0.9306876232129951
Energy: 1.013243760437417
Energy: 1.0113439793859869
Energy: 0.9373661618398877
Energy: 0.9384057395568763
Energy: 0.9373661618398877

minimum gb energy = 0.9107832770090301 eV
minimum distance =  2.3631595886723 Angstroms
sigma value = 25


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

Energy: 0.9718453790221974
Energy: 1.1705765146013585
Energy: 1.1138528967783623
Energy: 1.1705765146013585
Energy: 0.957652072850315
Energy: 1.0919039806706086
Energy: 0.9485216556570204
Energy: 1.0919039806706086
Energy: 0.9489632355034536
Energy: 1.0378529575711837
Energy: 0.9483711397118295
Energy: 1.0378529575772235
Energy: 0.9714693755855369
Energy: 0.9625988640986602
Energy: 1.066287957568173
Energy: 0.9625988641016803
Energy: 1.06333943085428
Energy: 0.9581662869278811
Energy: 0.9944903393756704
Energy: 0.9581662869278811
Energy: 0.9522106905056786
Energy: 1.1033092438712617
Energy: 0.9504175087388655
Energy: 1.1033092438727718
Energy: 0.9814017446449038
Energy: 1.0875435311886557
Energy: 0.9484842694216621
Energy: 1.0875435311886557
Energy: 1.0524481875596527
Energy: 1.0547798660752483
Energy: 0.9740806111059602
Energy: 1.0547798591791289
Energy: 0.9486821410191209
Energy: 1.0874531323185674
Energy: 0.9599060336476921
Energy: 1.0874531323185674
Energy: 1.0921125231324418
Energy: 1.0384323154374053
Energy: 0.9502471564958547
Energy: 1.0384323154374053
Energy: 1.01458175203323
Energy: 1.0879443010702203
Energy: 1.1641215863900578
Energy: 1.0879443010702203
Energy: 0.9488842409255904
Energy: 0.9810139817338324
Energy: 1.092166165920052
Energy: 0.9810139817338324
Energy: 1.0554870142133692
Energy: 0.9805796678312593
Energy: 0.9481850153664243
Energy: 0.9805796676712683
Energy: 0.9483783491661052
Energy: 1.0869641230649136
Energy: 0.9721168400670539
Energy: 1.0869641230649136
Energy: 0.9482446509678034
Energy: 0.9483295932199798
Energy: 1.052746575799063
Energy: 0.9483295932199798
Energy: 0.9591533984480033
Energy: 1.015022982674181
Energy: 0.9521735723100282
Energy: 1.015022982675691
Energy: 0.9485301768816469
Energy: 1.0329103549270764
Energy: 1.0905260627725477
Energy: 1.0329103549270764

minimum gb energy = 0.9481850153664243 eV
minimum distance =  2.34539845899989 Angstroms
sigma value = 17


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

Energy: 1.0671598002718903
Energy: 1.0662898784371921
Energy: 1.2223291447860687
Energy: 1.0662898784371921
Energy: 1.1069000916519305
Energy: 1.039082757053813
Energy: 0.9742031400093556
Energy: 1.039082757053813
Energy: 1.0889396881591766
Energy: 1.0639604233544693
Energy: 0.9739310848442296
Energy: 1.0639604233544693
Energy: 0.9756954935295011
Energy: 1.067937860114159
Energy: 1.0451187757866287
Energy: 1.067937860114159
Energy: 1.1117351890672962
Energy: 1.0541741389378652
Energy: 0.9742874988071525
Energy: 1.0541741389378652
Energy: 0.9837330405731703
Energy: 1.0111167542667483
Energy: 1.0947632529072064
Energy: 1.0111167542667483
Energy: 0.9784876039699444
Energy: 1.0788890721420965
Energy: 0.974355138071974
Energy: 1.0788890721420965
Energy: 1.0873959123547392
Energy: 0.9882707870952661
Energy: 0.9907778958996993
Energy: 0.9882707870918452
Energy: 0.986731559945271
Energy: 1.1144727863886084
Energy: 1.108428944832115
Energy: 1.1144727863886084
Energy: 1.1748176076500758
Energy: 1.0397498320248384
Energy: 0.9745116751080937
Energy: 1.0397498320248384
Energy: 0.9781376709618331
Energy: 0.9843992900991064
Energy: 1.09255837765698
Energy: 0.9843992900991064
Energy: 0.9823636724473856
Energy: 1.0745550383510134
Energy: 0.9822237915523351
Energy: 1.0745550383510134
Energy: 1.1065352919533247
Energy: 0.9851873009289305
Energy: 0.9817188171836888
Energy: 0.9851873009289305
Energy: 0.974188959501443
Energy: 1.171291677569706
Energy: 1.0977309790601224
Energy: 1.171291677569706
Energy: 1.0538313607458467
Energy: 1.080754070349487
Energy: 0.9867974320417572
Energy: 1.080754070349487
Energy: 1.0886274193067906
Energy: 0.9871554900658186
Energy: 1.0874942573381867
Energy: 0.9871554900666738
Energy: 0.9743901388047644
Energy: 1.0700179498102982
Energy: 1.185446023518443
Energy: 1.0700179498102982
Energy: 1.0833545470974266
Energy: 1.0622506483667302
Energy: 0.9838021330021754
Energy: 1.0622506483675855
Energy: 0.9960250100116594
Energy: 1.0835439297555103
Energy: 1.0396710905712425
Energy: 1.0835439297555103
Energy: 0.9743178521508594
Energy: 1.0758725822654487
Energy: 0.9760919216105611
Energy: 1.0758725822680142
Energy: 1.0312039811400757
Energy: 1.0648279219686816
Energy: 1.0879267591900856
Energy: 1.0648279219686816
Energy: 0.9741678332264156
Energy: 1.1390341721992592
Energy: 1.175070717336545
Energy: 1.1390341721992592
Energy: 1.1010018099895882
Energy: 1.0663528947767584
Energy: 0.9739853270498843
Energy: 1.0663528947767584
Energy: 0.9818037847762824
Energy: 1.0792734935457446
Energy: 1.101355279042534
Energy: 1.0792734935457446
Energy: 0.9816598107629277
Energy: 1.0639883321535748
Energy: 1.1003682272764175
Energy: 1.0639883321535748
Energy: 1.1040240385349915
Energy: 1.0771202675332725
Energy: 0.9749874963640637
Energy: 1.0771202675332725
Energy: 0.974041400802203
Energy: 1.1177163253186517
Energy: 1.197114814776573
Energy: 1.1177163253186517
Energy: 1.0858968881042916
Energy: 1.011255775225511
Energy: 1.0891097114239632
Energy: 1.0112557752246556
Energy: 1.1703326780474295
Energy: 1.1662575715419623
Energy: 0.9783474976307248
Energy: 1.1662575715419623
Energy: 0.9905897621089549
Energy: 1.1115410345178849
Energy: 1.0856769500154668
Energy: 1.1115410345178849

minimum gb energy = 0.9739310848442296 eV
minimum distance =  2.2554746933778 Angstroms
sigma value = 53


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

Energy: 0.9290390720441607
Energy: 0.9282578162113578
Energy: 1.1187271961723533
Energy: 0.9282578162113578
Energy: 1.1036624860711974
Energy: 1.0065910596854142
Energy: 1.0391587657719241
Energy: 1.0065910596854142
Energy: 0.9296120095495541
Energy: 0.9280377360469116
Energy: 0.9701754263774903
Energy: 0.9280377360469116
Energy: 0.9297218868237495
Energy: 0.9280188226002106
Energy: 0.9701841816041314
Energy: 0.9280188226002106
Energy: 1.1036790269458632
Energy: 1.0065173188314562
Energy: 1.040302585466156
Energy: 1.0065173188314562
Energy: 0.9290390720441607
Energy: 0.9282578162113578
Energy: 1.1835911455170842
Energy: 0.9282578162113578
Energy: 1.1036624860711974
Energy: 1.0065910596854142
Energy: 1.0390624444396788
Energy: 1.0065910596854142
Energy: 0.9296120095495541
Energy: 0.9280377360469116
Energy: 1.024043325032729
Energy: 0.9280377360469116
Energy: 0.9297218868237495
Energy: 0.9280188226002106
Energy: 1.038005181549903
Energy: 0.9280188226002106
Energy: 1.1036790269458632
Energy: 1.0065173188314562
Energy: 1.0395130504781314
Energy: 1.0065173188314562
Energy: 0.9290390720441607
Energy: 0.9282578162113578
Energy: 1.2414545636119665
Energy: 0.9282578162113578
Energy: 1.1036624860711974
Energy: 1.0065910596854142
Energy: 1.0847321523728204
Energy: 1.0065910596854142
Energy: 0.9296120095495541
Energy: 0.9280377360469116
Energy: 1.0854181994360963
Energy: 0.9280377360469116

minimum gb energy = 0.9280188226002106 eV
minimum distance =  2.3244782445935 Angstroms
sigma value = 9


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

Energy: 1.0196210362619742
Energy: 1.1519056365784945
Energy: 1.256039240820569
Energy: 1.1519056365784945
Energy: 1.1501201039654225
Energy: 1.0640491109946952
Energy: 1.01677352224238
Energy: 1.0640491109939667
Energy: 1.0096583944447677
Energy: 1.0112628755908344
Energy: 1.0166351433311809
Energy: 1.0112628755901054
Energy: 1.1198829091122804
Energy: 1.1895433150203996
Energy: 1.017212554262188
Energy: 1.1895433150203996
Energy: 1.1399873400959681
Energy: 1.0634103829444082
Energy: 1.0154034042801212
Energy: 1.0634103829444082
Energy: 1.0103679651718815
Energy: 1.0104205971445006
Energy: 1.12830398141734
Energy: 1.0104205971445006
Energy: 1.2916600703608452
Energy: 1.060458828007576
Energy: 1.0162407777765399
Energy: 1.060458828007576
Energy: 1.0138154885783
Energy: 1.080043802115093
Energy: 1.1315805297032262
Energy: 1.080043802115093
Energy: 1.010965179001541
Energy: 1.091406806113979
Energy: 1.0149755311265836
Energy: 1.0914068061147078
Energy: 1.010314023364551
Energy: 1.0605361745581217
Energy: 1.0162274288429123
Energy: 1.0605361745581217
Energy: 1.0136630264862132
Energy: 1.081746625302307
Energy: 1.2823042779601699
Energy: 1.081746625302307
Energy: 1.145900091975411
Energy: 1.150703474338059
Energy: 1.011933037209684
Energy: 1.150703474338059
Energy: 1.0108604699996857
Energy: 1.082360445404052
Energy: 1.2073255749084595
Energy: 1.082360445404052
Energy: 1.1234343536593767
Energy: 1.1283180451179662
Energy: 1.0222877672977775
Energy: 1.1283180451179662
Energy: 1.0146300450984695
Energy: 1.1330386809592994
Energy: 1.1259442227930958
Energy: 1.1330386809592994
Energy: 1.011086299517552
Energy: 1.1981806425550345
Energy: 1.125175994122464
Energy: 1.1981806425601356
Energy: 1.0721987282897036
Energy: 1.1333433596336961
Energy: 1.0151084803475892
Energy: 1.1333433596336961
Energy: 1.0140871441060604
Energy: 1.0607757530468038
Energy: 1.138804642586898
Energy: 1.0607757530468038
Energy: 1.1312401646525665
Energy: 1.0842934265939292
Energy: 1.0114214918297166
Energy: 1.0842934265932007
Energy: 1.012513736656172
Energy: 1.0701041323916156
Energy: 1.0817166637407178
Energy: 1.070104132390887
Energy: 1.1283272599797611
Energy: 1.1895938532085377
Energy: 1.1220035057317157
Energy: 1.1895938532085377
Energy: 1.0837829034511293
Energy: 1.1255493768318785
Energy: 1.0101887841532875
Energy: 1.1255493768318785
Energy: 1.0150624051883423
Energy: 1.1383655300347084
Energy: 1.0104123867650685
Energy: 1.1383655300347084
Energy: 1.2954251138092185
Energy: 1.082026740550231
Energy: 1.0127391754215034
Energy: 1.0820267405509596
Energy: 1.0165114587913668
Energy: 1.163543940373394
Energy: 1.2370745288178853
Energy: 1.163543940373394
Energy: 1.0760280173434555
Energy: 1.0101987383970106
Energy: 1.0096868553388025
Energy: 1.0101987383970106
Energy: 1.1305339615436047
Energy: 1.134943768901102
Energy: 1.1192662502012667
Energy: 1.134943768901102
Energy: 1.0257337556162818
Energy: 1.228362566567113
Energy: 1.1196550120912954
Energy: 1.2283625665663844
Energy: 1.0714538240995184
Energy: 1.0101038363905184
Energy: 1.0091925173452156
Energy: 1.0101038363905184
Energy: 1.0168025813479329
Energy: 1.1629994003597137
Energy: 1.2329176750542612
Energy: 1.162999400360442
Energy: 1.2252526643613737
Energy: 1.0822409719830266
Energy: 1.0126990885352762
Energy: 1.0822409719830266
Energy: 1.0164731912144416
Energy: 1.061431115616958
Energy: 1.0103803546301522
Energy: 1.061431115616958
Energy: 1.017090337736957
Energy: 1.1265719478126106
Energy: 1.009787369279802
Energy: 1.126571947813339
Energy: 1.129108867714488
Energy: 1.1969186238136316
Energy: 1.120006881964013
Energy: 1.1969186238129028
Energy: 1.0153629774446447
Energy: 1.1641290326745288
Energy: 1.290882463533189
Energy: 1.1641290326745288

minimum gb energy = 1.0091925173452156 eV
minimum distance =  2.28279751285162 Angstroms
sigma value = 73


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

Energy: 1.0136053422298266
Energy: 1.0125120291584766
Energy: 1.2945424766769082
Energy: 1.0125120291596328
Energy: 1.0300782514659563
Energy: 1.096618349326724
Energy: 1.016541400494094
Energy: 1.096618349326724
Energy: 1.021008198745032
Energy: 1.0160796428759562
Energy: 1.011197825022674
Energy: 1.0160796428759562
Energy: 1.012959582149103
Energy: 1.0966750079210021
Energy: 1.0164101812456363
Energy: 1.0966750079210021
Energy: 1.0124200509096781
Energy: 1.084465193597943
Energy: 1.0145179205842312
Energy: 1.084465193597943
Energy: 1.0216754107602903
Energy: 1.0163379204475633
Energy: 1.2560435267678147
Energy: 1.0163379204475633
Energy: 1.2756686808759545
Energy: 1.22396160318319
Energy: 1.017915609705961
Energy: 1.22396160318319
Energy: 1.0113441095494653
Energy: 1.0118913584548468
Energy: 1.256204279110884
Energy: 1.0118913584548468
Energy: 1.245368540108093
Energy: 1.0128917887955937
Energy: 1.0147903367885747
Energy: 1.0128917887955937
Energy: 1.0188095729724826
Energy: 1.082938199683141
Energy: 1.018113124366384
Energy: 1.082938199683141
Energy: 1.0116711385758077
Energy: 1.0130160642519588
Energy: 1.2471244781733037
Energy: 1.0130160642519588
Energy: 1.135844236186141
Energy: 1.0987224109680032
Energy: 1.0117417596407612
Energy: 1.0987224109680032
Energy: 1.0173314102099573
Energy: 1.0818042698888575
Energy: 1.1352503002177012
Energy: 1.0818042698888575
Energy: 1.2938978315337852
Energy: 1.082837185527983
Energy: 1.0217270805220589
Energy: 1.082837185527983
Energy: 1.010467892405981
Energy: 1.0465495713509485
Energy: 1.1366791153073572
Energy: 1.0465495713509485
Energy: 1.2450306673630116
Energy: 1.0122144963198203
Energy: 1.011323879822695
Energy: 1.0122144963209763
Energy: 1.017334579276873
Energy: 1.014678676721515
Energy: 1.0208408658162222
Energy: 1.014678676721515
Energy: 1.0159896322685966
Energy: 1.0135510560415555
Energy: 1.0210080209463313
Energy: 1.0135510560415555
Energy: 1.0128825256208853
Energy: 1.012057930086521
Energy: 1.0120126915501422
Energy: 1.012057930086521
Energy: 1.0166147337653928
Energy: 1.0474725744958164
Energy: 1.2760179703626695
Energy: 1.0474725744958164
Energy: 1.295370794713064
Energy: 1.0161688620399316
Energy: 1.0217228345790859
Energy: 1.0161688620399316
Energy: 1.016456423728834
Energy: 1.085614554090716
Energy: 1.1417752063482804
Energy: 1.085614554090716

minimum gb energy = 1.010467892405981 eV
minimum distance =  2.28481035434428 Angstroms
sigma value = 7


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

Energy: 1.0388950181474066
Energy: 1.038056431301292
Energy: 1.2682469678577033
Energy: 1.038056431301292
Energy: 1.1335227757830526
Energy: 1.0784445102123181
Energy: 1.0184662164184726
Energy: 1.0784445102123181
Energy: 1.0177574025434417
Energy: 1.0374859902909765
Energy: 1.0387552800356672
Energy: 1.0374859902909765
Energy: 1.0463322093586118
Energy: 1.0984567680134651
Energy: 1.0181909174562016
Energy: 1.0984567680134651
Energy: 1.0177859603707173
Energy: 1.081423410642715
Energy: 1.0356784460573072
Energy: 1.0814234106418974
Energy: 1.0136528607891935
Energy: 1.0389195052869706
Energy: 1.2232479210666478
Energy: 1.038919505286153
Energy: 1.1380314655052046
Energy: 1.1281423850035173
Energy: 1.036329310133675
Energy: 1.1281423850035173
Energy: 1.0136920757985597
Energy: 1.0389010059911064
Energy: 1.254566133223616
Energy: 1.0389010059911064
Energy: 1.1502079573088688
Energy: 1.0887615877705774
Energy: 1.0205313724058371
Energy: 1.0887615877705774
Energy: 1.013355913196782
Energy: 1.1044848241541236
Energy: 1.1253146947205015
Energy: 1.1044848241541236
Energy: 1.0411636211394224
Energy: 1.0418930389196515
Energy: 1.0446776302900738
Energy: 1.0418930389196515
Energy: 1.0470629366948565
Energy: 1.081620467853232
Energy: 1.0484709475684162
Energy: 1.081620467853232
Energy: 1.0421188815441158
Energy: 1.0395833333797293
Energy: 1.048284751165775
Energy: 1.0395833333797293
Energy: 1.0372722230531088
Energy: 1.0339280211594912
Energy: 1.0483836159058664
Energy: 1.0339280211594912
Energy: 1.0119946851807369
Energy: 1.1884837450226697
Energy: 1.14569894700663
Energy: 1.1884837450226697
Energy: 1.3087420344733476
Energy: 1.0335613999612598
Energy: 1.0257136272209886
Energy: 1.0335613999612598
Energy: 1.0116061010317443
Energy: 1.081248056040615
Energy: 1.0759530088941456
Energy: 1.081248056040615
Energy: 1.0298255733810535
Energy: 1.0694206349855258
Energy: 1.04742034482274
Energy: 1.0694206349863433
Energy: 1.0115689365894849
Energy: 1.0394059146739172
Energy: 1.0476231174598416
Energy: 1.0394059146747348
Energy: 1.0129391610443403
Energy: 1.0836599681341503
Energy: 1.0469714541279593
Energy: 1.0836599681341503
Energy: 1.0414918779570863
Energy: 1.177091528520593
Energy: 1.0206489968249373
Energy: 1.177091528520593
Energy: 1.013525978199825
Energy: 1.0375353692992875
Energy: 1.1275824988920227
Energy: 1.0375353692992875
Energy: 1.2328696994389525
Energy: 1.0886565362154224
Energy: 1.0361041350222673
Energy: 1.0886565362154224
Energy: 1.0393872201621608
Energy: 1.0384679622864557
Energy: 1.2224959484161777
Energy: 1.0384679622864557
Energy: 1.0403245118883455
Energy: 1.0840373361296165
Energy: 1.0442757422588733
Energy: 1.0840373361296165
Energy: 1.0462412556306786
Energy: 1.0382419707514934
Energy: 1.0374471790047137
Energy: 1.0382419707514934
Energy: 1.017758510645577
Energy: 1.1004668100388937
Energy: 1.1298910027270248
Energy: 1.1004668100388937
Energy: 1.0463514923558763
Energy: 1.0811297017332937
Energy: 1.018354760340704
Energy: 1.0811297017332937
Energy: 1.0181251296685967
Energy: 1.0386565468748685
Energy: 1.159406136304924
Energy: 1.0386565468748685
Energy: 1.0457260843547216
Energy: 1.033294473307658
Energy: 1.0187105597679726
Energy: 1.033294473307658
Energy: 1.0181189246608342
Energy: 1.0390761447511854
Energy: 1.1936311941852038
Energy: 1.0390761447511854

minimum gb energy = 1.0115689365894849 eV
minimum distance =  2.2670747827371 Angstroms
sigma value = 29


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

Energy: 0.9942039587030126
Energy: 0.9843307321446121
Energy: 1.1112896149675633
Energy: 0.9843307321443273
Energy: 0.9627879499565456
Energy: 0.9970306522662588
Energy: 0.9957644995573369
Energy: 0.9970306522662588
Energy: 1.015070790810588
Energy: 1.0406926089925506
Energy: 1.0822174492315666
Energy: 1.0406926089925506
Energy: 0.9956478920513211
Energy: 0.9645896348112043
Energy: 0.9959247139950328
Energy: 0.9645896348112043
Energy: 0.994380812721809
Energy: 1.0223142270152705
Energy: 1.0821638838891476
Energy: 1.0223142270152705
Energy: 0.9891477479149504
Energy: 1.0417330609834525
Energy: 0.9891956763828569
Energy: 1.0417330609834525
Energy: 0.9657908242338045
Energy: 1.0222894502335025
Energy: 0.994401913579876
Energy: 1.0222894502335025
Energy: 0.9967236981919572
Energy: 0.9644014941569653
Energy: 0.9955973660424623
Energy: 0.9644014941569653
Energy: 1.082138485983559
Energy: 1.0407893343261951
Energy: 1.0015747509403161
Energy: 1.0407893343261951

minimum gb energy = 0.9627879499565456 eV
minimum distance =  2.3179730735231 Angstroms
sigma value = 5


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

Energy: 0.964135752347864
Energy: 0.9804577376730763
Energy: 1.1301427247152747
Energy: 0.9804577376730763
Energy: 1.1008063336551936
Energy: 0.9981314236903166
Energy: 0.9340587432164487
Energy: 0.9981314236903166
Energy: 0.9414169452860253
Energy: 0.9734553980373201
Energy: 1.1166637519340397
Energy: 0.9734553980373201
Energy: 0.9346855605587683
Energy: 1.0184998802402492
Energy: 0.9431417277984773
Energy: 1.0184998802402492
Energy: 0.9503111538866076
Energy: 1.0249377618308138
Energy: 1.1037389201233123
Energy: 1.0249377618308138
Energy: 0.9770473212267408
Energy: 0.982753127404182
Energy: 0.9333192073346017
Energy: 0.982753127404182
Energy: 0.9416847088689135
Energy: 1.0229810426942172
Energy: 0.932666286202749
Energy: 1.0229810426942172
Energy: 0.9376725178163411
Energy: 0.9840942187539127
Energy: 0.9444296022796344
Energy: 0.9840942187539127
Energy: 0.9505399538563005
Energy: 1.0230149131999524
Energy: 0.9541707304128851
Energy: 1.0230149131999524
Energy: 0.946866683929456
Energy: 1.0232222044479378
Energy: 0.9353782753207209
Energy: 1.0232222044479378
Energy: 0.9355818803472228
Energy: 0.9838487239486035
Energy: 0.9458405511779964
Energy: 0.9838487239486035
Energy: 0.9458198819866859
Energy: 1.035090374781801
Energy: 0.9842072144536704
Energy: 1.035090374781801
Energy: 0.9764345376447133
Energy: 0.9814827512141037
Energy: 0.9837438198410794
Energy: 0.9814827512141037
Energy: 0.9500380777618279
Energy: 0.9816261859600361
Energy: 0.9467615426334225
Energy: 0.9816261859600361
Energy: 0.9642335475898156
Energy: 1.019948053522069
Energy: 0.945165939892061
Energy: 1.019948053522069
Energy: 0.945579785407007
Energy: 0.9734426744514049
Energy: 0.9593207980422818
Energy: 0.9734426744521772
Energy: 1.1126797630465581
Energy: 1.0371344333118977
Energy: 0.933706748464848
Energy: 1.0371344333118977
Energy: 0.9521072730993001
Energy: 0.9816200855876667
Energy: 1.0410610953169888
Energy: 0.9816200855884388
Energy: 0.9441706524030986
Energy: 1.0245602004563623
Energy: 0.9344750982720075
Energy: 1.0245602004563623
Energy: 0.9421366183291306
Energy: 1.019965175441556
Energy: 0.9686866664085314
Energy: 1.019965175441556
Energy: 0.9344446634184868
Energy: 0.9822589377820743
Energy: 0.944180587335811
Energy: 0.9822589377820743
Energy: 0.9499970423914152
Energy: 1.0233015756260393
Energy: 0.947715490049399
Energy: 1.0233015756260393
Energy: 0.9338429483719421
Energy: 0.9833735687213895
Energy: 0.933511366379232
Energy: 0.9833735687213895
Energy: 0.9799766864538946
Energy: 0.9817413832299888
Energy: 0.9411579915685138
Energy: 0.9817413832299888
Energy: 0.991439858978464
Energy: 0.9713098775154002
Energy: 0.9475396963382708
Energy: 0.9713098775154002
Energy: 0.9693885971122357
Energy: 0.9817685120558849
Energy: 0.9508388230470392
Energy: 0.9817685120558849
Energy: 0.9380576004233877
Energy: 1.0116972083920364
Energy: 0.9666863136258997
Energy: 1.011697208391264
Energy: 0.9873306549730387
Energy: 1.0041512917087947
Energy: 0.9458009206938143
Energy: 1.0041512917087947
Energy: 0.9401668388970857
Energy: 0.9982114632471034
Energy: 1.1130138647109777
Energy: 0.9982114632471034
Energy: 1.0491207777773526
Energy: 0.9808290278407256
Energy: 0.9523121673545657
Energy: 0.9808290278407256
Energy: 0.9377513369113973
Energy: 0.9572960072797806
Energy: 1.0487621162634
Energy: 0.9572960072797806
Energy: 1.104884605202963
Energy: 1.0035963236472014
Energy: 0.9418341481465446
Energy: 1.0035963236472014
Energy: 0.9472292843126036
Energy: 0.9841985417401441
Energy: 0.9353270485121303
Energy: 0.9841985417401441

minimum gb energy = 0.932666286202749 eV
minimum distance =  2.27287376661493 Angstroms
sigma value = 1


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

Energy: 0.9393142876515084
Energy: 0.938483245338903
Energy: 0.9121135224582787
Energy: 0.938483245338903
Energy: 0.9340931367594519
Energy: 0.9529454946206256
Energy: 0.8956980463941339
Energy: 0.9529454946206256
Energy: 0.8879185102201154
Energy: 0.9388402895079736
Energy: 1.2255052103725903
Energy: 0.9388402895079736
Energy: 0.9112854789747211
Energy: 0.9966504400577166
Energy: 0.8972343929113381
Energy: 0.9966504400577166
Energy: 0.8879371548177611
Energy: 1.0254298407237066
Energy: 0.9106615582574137
Energy: 1.0254298407237066
Energy: 0.8864047064536029
Energy: 0.9422620286248462
Energy: 0.8972849321534998
Energy: 0.9422620286248462
Energy: 0.8878136340551449
Energy: 1.0250522965400657
Energy: 0.9230581069816908
Energy: 1.0250522965400657
Energy: 0.8884343023054178
Energy: 0.9420390405450195
Energy: 0.949909729427578
Energy: 0.9420390405450195
Energy: 0.9379556455843749
Energy: 0.9342905663961231
Energy: 0.9570298006963182
Energy: 0.9342905663961231
Energy: 0.9378544889300305
Energy: 0.9342954137579875
Energy: 0.9355786646664295
Energy: 0.9342954137579875
Energy: 0.8886008661342988
Energy: 0.9418382124791821
Energy: 0.9574160555084599
Energy: 0.9418382124791821
Energy: 0.8878263015058124
Energy: 1.0249985094060627
Energy: 0.9178965854413241
Energy: 1.0249985094060627
Energy: 0.8865333581594061
Energy: 0.9422219845826594
Energy: 0.8971017515546165
Energy: 0.9422219845826594
Energy: 0.8879777403583015
Energy: 1.0254124640566102
Energy: 0.9390802582212108
Energy: 1.0254124640566102
Energy: 0.9113674344527569
Energy: 0.996640884476245
Energy: 0.8973201693713565
Energy: 0.996640884476245
Energy: 0.8879115702791698
Energy: 0.9386511704724715
Energy: 0.9802373679669738
Energy: 0.9386511704724715
Energy: 0.9341733467328487
Energy: 0.9529210512099455
Energy: 0.8958483860490251
Energy: 0.9529210512099455
Energy: 0.9393142876515084
Energy: 0.9384832453378353
Energy: 1.100879249172998
Energy: 0.938483245338903
Energy: 0.9340931367594519
Energy: 0.9529454946206256
Energy: 0.8956980463941339
Energy: 0.9529454946206256
Energy: 0.8879185102201154
Energy: 0.9388402895079736
Energy: 1.2255052103725903
Energy: 0.9388402895079736
Energy: 0.9112854789747211
Energy: 0.9966504400577166
Energy: 0.8972343929113381
Energy: 0.9966504400577166
Energy: 0.8879371548177611
Energy: 1.0254298407247746
Energy: 0.9106615582488718
Energy: 1.0254298407237066
Energy: 0.8864047064536029
Energy: 0.942262028625914
Energy: 0.8972849321534998
Energy: 0.942262028625914
Energy: 0.8878136340551449
Energy: 1.0250522965400657
Energy: 0.91041560945034
Energy: 1.0250522965400657

minimum gb energy = 0.8864047064536029 eV
minimum distance =  2.29384200207448 Angstroms
sigma value = 17


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

Energy: 0.9955156712209731
Energy: 0.9278996513085132
Energy: 1.0951842391169582
Energy: 0.9278996513085132
Energy: 1.1050032720666974
Energy: 0.9062440672375592
Energy: 0.8976648511123677
Energy: 0.9062440672375592
Energy: 0.8982757674641094
Energy: 0.9173442125461083
Energy: 1.1147446548639093
Energy: 0.9173442125461083
Energy: 0.9827102201954945
Energy: 0.903441557704813
Energy: 0.9049570896820499
Energy: 0.903441557704813
Energy: 0.8927547402425194
Energy: 0.9852667759704514
Energy: 0.9205394160271574
Energy: 0.9852667759704514
Energy: 0.886534245854277
Energy: 0.9030914282822701
Energy: 0.9197023430285302
Energy: 0.9030914282822701
Energy: 0.8988637025806987
Energy: 0.9680082863100098
Energy: 0.9938724770410914
Energy: 0.9680082863100098
Energy: 0.8899570889851484
Energy: 0.9600226433168162
Energy: 0.8946720863884327
Energy: 0.9600226433161562
Energy: 0.9962105633177067
Energy: 1.0763443638797576
Energy: 0.9258719685696424
Energy: 1.0763443638797576
Energy: 0.9953772993301498
Energy: 0.9578657280030803
Energy: 0.8990009840223134
Energy: 0.9578657280037403
Energy: 0.9080165329955633
Energy: 0.9381975209731355
Energy: 0.8963276471641302
Energy: 0.9381975209731355
Energy: 0.9099319817145928
Energy: 0.9635294237702904
Energy: 0.9108105887471284
Energy: 0.9635294237708905
Energy: 0.886170833893697
Energy: 1.0692160855756856
Energy: 0.8981866884099569
Energy: 1.0692160855763455
Energy: 0.8967386219867103
Energy: 0.9841099630353186
Energy: 1.0120789122394558
Energy: 0.9841099630353186
Energy: 0.8843371740080963
Energy: 0.9551193556448544
Energy: 0.9359912391065537
Energy: 0.9551193556448544
Energy: 0.8962827664990605
Energy: 0.9177681543354627
Energy: 0.9807632414023504
Energy: 0.9177681543354627
Energy: 0.9845473586053867
Energy: 0.8944371323544918
Energy: 0.9011875307769069
Energy: 0.8944371323544918
Energy: 0.9008533524645413
Energy: 0.9285497549435313
Energy: 0.9605667072558719
Energy: 0.9285497549428713
Energy: 1.0144672082895547
Energy: 0.9659897694340204
Energy: 0.8963532560982518
Energy: 0.9659897694313807
Energy: 0.9145303331694732
Energy: 0.9150558914792056
Energy: 1.0115270645095562
Energy: 0.9150558914792056
Energy: 0.9835815081574878
Energy: 0.9091182576525931
Energy: 0.8934036336230455
Energy: 0.9091182576519331
Energy: 0.8914676353935512
Energy: 0.9295104918922941
Energy: 0.964281303133852
Energy: 0.9295104918929541
Energy: 0.9109413202219588
Energy: 0.9016316137495578
Energy: 0.9169778921846203
Energy: 0.9016316137488978
Energy: 0.8988369005821788
Energy: 0.9722427397520027
Energy: 1.1348217527987476
Energy: 0.9722427397520027
Energy: 0.9086909899033625
Energy: 0.9289903639327673
Energy: 0.9033252810748607
Energy: 0.9289903639327673
Energy: 0.8949368348322224
Energy: 0.9853253008420886
Energy: 1.002581712966417
Energy: 0.9853253008427486
Energy: 1.0507498872731855
Energy: 0.9529663741248108
Energy: 0.8969452394214353
Energy: 0.9529663741248108
Energy: 1.0051845659489609
Energy: 1.1638637461855688
Energy: 0.8945574867736924
Energy: 1.1638637461855688
Energy: 1.0088097222994117
Energy: 0.9836598369467844
Energy: 0.8973460728316249
Energy: 0.9836598369467844
Energy: 0.8948722892285347
Energy: 0.95040887123506
Energy: 0.9083308533825841
Energy: 0.9504088712363798
Energy: 0.9031929226551126
Energy: 0.9838021861855729
Energy: 0.9094299049573741
Energy: 0.9838021861855729
Energy: 0.8946328435900451
Energy: 1.0585194106471518
Energy: 0.9052695231567938
Energy: 1.0585194106464921
Energy: 0.8966774867562447
Energy: 0.9578961763417329
Energy: 1.0644820046103676
Energy: 0.9578961763417329
Energy: 0.9385570185360614
Energy: 0.9710206855498039
Energy: 0.919074533117603
Energy: 0.971020685550464
Energy: 0.8923758240890041
Energy: 0.9293357951491439
Energy: 0.9090558199334442
Energy: 0.9293357951491439
Energy: 1.010030335852273
Energy: 0.971923286486846
Energy: 0.8996217413391803
Energy: 0.971923286486846
Energy: 0.9154281021124668
Energy: 0.902598742422974
Energy: 0.8881491015711486
Energy: 0.9025987424236338
Energy: 0.9289187166369979
Energy: 0.9786358880125643
Energy: 0.8918005292451532
Energy: 0.9786358880125643

minimum gb energy = 0.8843371740080963 eV
minimum distance =  2.28429795903988 Angstroms
sigma value = 89


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

Energy: 0.8213492760594328
Energy: 0.8209897547948936
Energy: 1.0916917627607425
Energy: 0.8209897547948936
Energy: 0.8296223124976125
Energy: 0.847803549095059
Energy: 0.8314188722687847
Energy: 0.847803549095059
Energy: 0.8300499802009683
Energy: 0.9675393176850403
Energy: 1.3506735268136565
Energy: 0.9675393176833137
Energy: 0.82026988845857
Energy: 0.8478358604674027
Energy: 0.831321462922138
Energy: 0.8478358604674027
Energy: 0.8309343602653649
Energy: 0.9040539056631112
Energy: 0.8352705224275911
Energy: 0.9040539056631112
Energy: 0.8296164229693435
Energy: 0.8226295491467603
Energy: 0.8256469437120916
Energy: 0.8226295491467603
Energy: 0.8304984609871492
Energy: 0.967542307435133
Energy: 0.8210238564817469
Energy: 0.967542307435133
Energy: 0.8268840613026244
Energy: 0.966611680424377
Energy: 0.8314573850401927
Energy: 0.966611680424377
Energy: 0.8306613039957584
Energy: 0.9043209865680129
Energy: 0.8174930359343062
Energy: 0.9043209865680129
Energy: 0.8491560239087167
Energy: 1.0299529192057522
Energy: 0.8223108790825676
Energy: 1.0299529192057522
Energy: 0.8207959072606427
Energy: 0.8487273344525925
Energy: 0.8295125900554203
Energy: 0.8487273344525925
Energy: 0.8206569498784274
Energy: 0.9684860459747214
Energy: 0.8314133375692834
Energy: 0.968486045976448
Energy: 0.8310995605057746
Energy: 0.8238396914563669
Energy: 0.8249342562387382
Energy: 0.8238396914563669
Energy: 0.8230159230411125
Energy: 0.90205826239609
Energy: 0.822893456969663
Energy: 0.90205826239609
Energy: 0.8178416062004507
Energy: 0.8238225129447637
Energy: 0.830921427522189
Energy: 0.8238225129447637

minimum gb energy = 0.8174930359343062 eV
minimum distance =  2.30314389791983 Angstroms
sigma value = 13


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

Energy: 0.8147826680194574
Energy: 0.7851749122065917
Energy: 0.9985436406476328
Energy: 0.7851749122073155
Energy: 0.9497018398557576
Energy: 0.8045394282010212
Energy: 0.7803802738241684
Energy: 0.804539428195955
Energy: 0.7867533161972388
Energy: 0.7856007796993686
Energy: 1.1429459649007945
Energy: 0.7856007796993686
Energy: 0.7878058697362256
Energy: 0.80528792421059
Energy: 0.7764170523147171
Energy: 0.8052879242091424
Energy: 0.795368158265466
Energy: 0.8468417514382964
Energy: 0.7994013820421356
Energy: 0.8468417514382964
Energy: 0.7867688012877689
Energy: 0.8054391485779093
Energy: 0.7962690381097591
Energy: 0.8054391485779093
Energy: 0.7951466405873858
Energy: 0.8484118441321873
Energy: 0.814381252590344
Energy: 0.8484118441321873
Energy: 0.7779542647890514
Energy: 0.8044973355275183
Energy: 0.7964429576920435
Energy: 0.8044973339765367
Energy: 0.7951447198103162
Energy: 0.848485972125343
Energy: 0.9937274913528988
Energy: 0.848485972125343
Energy: 0.9346489747752038
Energy: 0.8639272133877999
Energy: 0.7765582988107219
Energy: 0.8639272133877999
Energy: 0.7952640329985692
Energy: 0.864882223938573
Energy: 0.7800198573288168
Energy: 0.864882223938573
Energy: 0.8122991106901454
Energy: 0.863732739630126
Energy: 0.7753793870556058
Energy: 0.8637327396294021
Energy: 0.8237018685064487
Energy: 0.7994335354331297
Energy: 0.7801341952019646
Energy: 0.7994335354331297
Energy: 1.0785406027882067
Energy: 0.8639979004021877
Energy: 0.7754796064243648
Energy: 0.8639979004021877
Energy: 0.7945169446161212
Energy: 0.7856210986751785
Energy: 0.7801798185960948
Energy: 0.7856210986751785
Energy: 0.7817043914408148
Energy: 0.8644148480288976
Energy: 0.7786577295023259
Energy: 0.8644148480296212
Energy: 0.7913884267433965
Energy: 0.8422356234934434
Energy: 0.7794354139825578
Energy: 0.8422356234934434
Energy: 0.7921944154774301
Energy: 0.8460526597735842
Energy: 0.8047583668211
Energy: 0.8460526597735842
Energy: 0.7916797517475308
Energy: 0.7999729549122533
Energy: 0.8047110760045132
Energy: 0.7999729549122533
Energy: 0.791634472951772
Energy: 0.7999231675564353
Energy: 0.8048690253953168
Energy: 0.7999231675564353
Energy: 0.7921510152181246
Energy: 0.8460442867739663
Energy: 0.8049843647864726
Energy: 0.8460442867746901
Energy: 0.7922239189795793
Energy: 0.8421394355329942
Energy: 0.7793159892933019
Energy: 0.842139435533718
Energy: 0.7991083713186576
Energy: 0.8643791838012664
Energy: 0.7791850585805166
Energy: 0.8643791838012664
Energy: 0.7945594559497605
Energy: 0.785827392752808
Energy: 0.7806414506454099
Energy: 0.7858273927520841
Energy: 1.078338712096597
Energy: 0.8641225733163758
Energy: 0.7754915977084631
Energy: 0.8641225733163758
Energy: 0.8232644891145974
Energy: 0.7995301593298614
Energy: 0.7787115367023525
Energy: 0.7995301593291376
Energy: 0.8122885833790797
Energy: 0.8634778512974192
Energy: 0.7752916091817469
Energy: 0.8634778512974192
Energy: 0.7955548206970343
Energy: 0.8647245278886313
Energy: 0.7778657841281964
Energy: 0.8647245278879734
Energy: 0.9346682368488826
Energy: 0.8639275552314729
Energy: 0.7763119678670156
Energy: 0.8639275552321967
Energy: 0.7951541619363518
Energy: 0.8486151355603556
Energy: 0.9203618566741179
Energy: 0.8486151355603556
Energy: 0.7786136030502334
Energy: 0.8043819414341373
Energy: 0.796461922795249
Energy: 0.8043819414341373
Energy: 0.7951800464762022
Energy: 0.8484399476602742
Energy: 1.0629619864013824
Energy: 0.8484399476602742
Energy: 0.787094721171717
Energy: 0.8050482116015999
Energy: 0.7964987290528757
Energy: 0.8050482116015999
Energy: 0.7953600421746985
Energy: 0.8468052972520191
Energy: 0.7940093476556083
Energy: 0.8468052972520191
Energy: 0.7876388238435653
Energy: 0.8054361461859034
Energy: 0.7763488706674514
Energy: 0.8054361462097869

minimum gb energy = 0.7752916091817469 eV
minimum distance =  2.31917188714044 Angstroms
sigma value = 37


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

Energy: 0.8698450168584019
Energy: 0.8688871538811811
Energy: 0.7087979530688059
Energy: 0.8688871538811811
Energy: 0.854340523982024
Energy: 0.7455234537224711
Energy: 0.7175017301040496
Energy: 0.7455234537224711
Energy: 0.740289499913002
Energy: 0.84395183063843
Energy: 0.9900532397804063
Energy: 0.8439518306371849
Energy: 0.8260067698383305
Energy: 0.7456455522429264
Energy: 0.7250237282678551
Energy: 0.7456455522429264
Energy: 0.7226727108252906
Energy: 0.7454011507753033
Energy: 0.7465408076491802
Energy: 0.7454011507753033
Energy: 0.7212858059578253
Energy: 0.7453065947743712
Energy: 0.8310521443161057
Energy: 0.7453065947743712
Energy: 0.7326494090313578
Energy: 0.886859791855919
Energy: 1.0617678961306753
Energy: 0.886859791855919
Energy: 0.7061815447343056
Energy: 0.746409552794276
Energy: 0.7485703069295953
Energy: 0.746409552794276
Energy: 0.717990634758544
Energy: 0.7455328763285011
Energy: 0.9476036114790323
Energy: 0.7455328763285011
Energy: 0.9970985723853194
Energy: 0.8333020547397626
Energy: 0.8309689883233097
Energy: 0.8333020547385174
Energy: 0.7364786542264031
Energy: 0.8063255063700011
Energy: 0.8285207973921789
Energy: 0.8063255063700011
Energy: 0.9969599105943686
Energy: 0.7455729363326844
Energy: 0.7235493704774679
Energy: 0.7455729363326844
Energy: 0.8337276887857064
Energy: 0.7453966333047692
Energy: 0.7124830258616559
Energy: 0.7453966333047692
Energy: 1.070112660017755
Energy: 0.7813636184898934
Energy: 0.7124667880303427
Energy: 0.7813636184923839
Energy: 0.8690977286661664
Energy: 0.7801836547140144
Energy: 0.7075238315850905
Energy: 0.7801836547140144
Energy: 0.8694567843203301
Energy: 0.7461989983128305
Energy: 0.7214869710697904
Energy: 0.7461989983128305
Energy: 0.8337808439111857
Energy: 0.8347647822170846
Energy: 0.7026539566344405
Energy: 0.8347647822170846
Energy: 0.8302727994855693
Energy: 0.893735289057733
Energy: 0.7228763584454904
Energy: 0.893735289057733
Energy: 0.7227607948471431
Energy: 0.7470704371460489
Energy: 0.7193355237763869
Energy: 0.7470704371460489
Energy: 0.7191420545789474
Energy: 0.7461558980141294
Energy: 0.8293252018530087
Energy: 0.7461558980141294

minimum gb energy = 0.7026539566344405 eV
minimum distance =  2.32013689069175 Angstroms
sigma value = 25


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

Energy: 0.6860208611499462
Energy: 0.6487008743501497
Energy: 0.893705360040162
Energy: 0.6487008743501497
Energy: 0.8373572083195128
Energy: 0.6642572262085306
Energy: 0.6520429850137514
Energy: 0.6642572262085306
Energy: 0.646249208989763
Energy: 0.6461016841780314
Energy: 0.8661078348899011
Energy: 0.6461016841780314
Energy: 0.6500021593228322
Energy: 0.6645283968190285
Energy: 0.651738354569156
Energy: 0.6645283968200009
Energy: 0.6508314759531277
Energy: 0.6642465265378259
Energy: 0.6289000212628528
Energy: 0.6642465265378259
Energy: 0.6262212932040592
Energy: 0.8339464210462669
Energy: 0.6521709896423966
Energy: 0.8339464210462669
Energy: 0.6515415732381237
Energy: 0.645986994237469
Energy: 0.6499795457442442
Energy: 0.645986994237469
Energy: 0.6242186479986729
Energy: 0.6855210658773407
Energy: 0.6474082881550687
Energy: 0.6855210658773407
Energy: 0.6509054793450982
Energy: 0.6645120464276407
Energy: 0.8376622203034843
Energy: 0.6645120464266684
Energy: 0.6267581791906434
Energy: 0.6484276604004799
Energy: 0.6873951221858561
Energy: 0.6484276603995076
Energy: 0.651577420031549
Energy: 0.6462682977066528
Energy: 1.00996353933669
Energy: 0.6462682977066528
Energy: 0.8478536408741306
Energy: 0.917278331812672
Energy: 0.6476058262358568
Energy: 0.917278331812672
Energy: 0.6510789911926178
Energy: 0.664367597406704
Energy: 0.8194665270637946
Energy: 0.664367597406704
Energy: 0.8520108151042266
Energy: 0.7190758386497188
Energy: 0.6520355465765957
Energy: 0.7190758386506911
Energy: 0.6516236411439246
Energy: 0.6461546497500128
Energy: 0.6305779512306627
Energy: 0.6461546497500128
Energy: 0.843010249223887
Energy: 0.9171303564644883
Energy: 0.654710057051846
Energy: 0.9171303564644883
Energy: 0.6511565482227978
Energy: 0.6854659276829915
Energy: 0.6242229944281789
Energy: 0.6854659276829915
Energy: 0.8363087533044308
Energy: 0.664085428527925
Energy: 0.6519885596671308
Energy: 0.6640854285075062
Energy: 0.6911962234697697
Energy: 0.6465458125324954
Energy: 0.6314054644125087
Energy: 0.6465458125324954
Energy: 1.0067471232992766
Energy: 0.9158402284573699
Energy: 0.65460433678202
Energy: 0.9158402284573699
Energy: 0.6512260650061789
Energy: 0.7575433472338239
Energy: 0.6266153911284911
Energy: 0.7575433472338239
Energy: 0.6461611937404806
Energy: 0.6646485736824745
Energy: 0.652003783234743
Energy: 0.6646485736824745
Energy: 0.6517315782754518
Energy: 0.7175732431968099
Energy: 0.859621202888416
Energy: 0.7175732431968099
Energy: 0.6284730239570713
Energy: 0.7589823345190422
Energy: 0.65442327492086
Energy: 0.7589823345190422
Energy: 0.6502740945371196
Energy: 0.7576782624067671
Energy: 0.8484646333244348
Energy: 0.7576782624067671
Energy: 0.6268937667244238
Energy: 0.685758575581192
Energy: 0.6524192166595352
Energy: 0.685758575581192

minimum gb energy = 0.6242186479986729 eV
minimum distance =  2.32876289809448 Angstroms
sigma value = 41


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

Energy: 0.8803123311621146
Energy: 0.6018337643642782
Energy: 0.8393602378844747
Energy: 0.6018337643642782
Energy: 0.901772546632709
Energy: 0.5883293279049111
Energy: 0.5811083602023748
Energy: 0.5883293279049111
Energy: 0.6007358970248438
Energy: 0.5788440512145983
Energy: 0.7656070004002716
Energy: 0.5788440512145983
Energy: 0.7451686625866268
Energy: 0.5888923912203955
Energy: 0.5809570065973538
Energy: 0.5888923912203955
Energy: 0.5774766672245804
Energy: 0.7539874164262419
Energy: 0.5848564761220316
Energy: 0.7539874164262419
Energy: 0.5880461534050324
Energy: 0.5888354221016717
Energy: 0.580961044064696
Energy: 0.5888354221024688
Energy: 0.5804127692830086
Energy: 0.7309864742315485
Energy: 0.5872514770317722
Energy: 0.7309864742315485
Energy: 0.5665003259072927
Energy: 0.6010749608596955
Energy: 0.5782404997167173
Energy: 0.6010749608596955
Energy: 0.5831466064660706
Energy: 0.6019230347326477
Energy: 0.7443103145716674
Energy: 0.6019230347326477
Energy: 0.5655158821831991
Energy: 0.5794746216972894
Energy: 0.6014823801577623
Energy: 0.5794746216972894
Energy: 0.580459111652515
Energy: 0.5883898729087147
Energy: 1.0152881534576557
Energy: 0.5883898729087147
Energy: 0.5668904652328232
Energy: 0.6030497708113669
Energy: 0.8808285416046351
Energy: 0.6030497708113669
Energy: 0.5832098076795185
Energy: 0.6030109029237759
Energy: 1.0745160084663992
Energy: 0.6030109029237759
Energy: 0.7599724918143245
Energy: 0.6678323019148721
Energy: 0.6014364653437322
Energy: 0.6678323019156692
Energy: 0.580488384906587
Energy: 0.5884926554725602
Energy: 0.8921548632335504
Energy: 0.5884926554733575
Energy: 0.7549605658048602
Energy: 0.739902684892441
Energy: 0.5782214141133409
Energy: 0.7399026848940352
Energy: 0.5830847191419283
Energy: 0.6016953755074231
Energy: 0.8147114974846607
Energy: 0.6016953755138003
Energy: 0.7574013027974216
Energy: 0.6608910476576987
Energy: 0.5810457088090737
Energy: 0.6608910476521188
Energy: 0.5803948638449222
Energy: 0.6014057865338912
Energy: 0.5663686624666671
Energy: 0.6014057865338912
Energy: 0.760091919276267
Energy: 0.7398910085770092
Energy: 0.5857372728263998
Energy: 0.7398910085770092
Energy: 0.6034216259162977
Energy: 0.6022940148395737
Energy: 0.565572944576293
Energy: 0.6022940148395737
Energy: 1.0115049072978355
Energy: 0.6754647445926109
Energy: 0.5811017410051167
Energy: 0.6754647445918136
Energy: 0.8823361565720476
Energy: 0.7408239835932706
Energy: 0.5667436119538837
Energy: 0.7408239835932706
Energy: 0.9036552765228778
Energy: 0.7406724387472079
Energy: 0.5863370307663933
Energy: 0.7406724387488022
Energy: 0.6036960554449664
Energy: 0.6630046824700255
Energy: 0.5772087842791152
Energy: 0.6630046824700255
Energy: 0.8877869846593557
Energy: 0.616456409531712
Energy: 0.5812380140257666
Energy: 0.6164564095388863
Energy: 0.5803274711936263
Energy: 0.7400801161286075
Energy: 0.7642403085432906
Energy: 0.7400801161278103
Energy: 0.5787548292837761
Energy: 0.8069471421893664
Energy: 0.5863244688334364
Energy: 0.8069471421901634
Energy: 0.5833657323550525
Energy: 0.6638319661318551
Energy: 0.7604260902856376
Energy: 0.6638319661318551
Energy: 0.5762792957844487
Energy: 0.8397237738322075
Energy: 0.5840092457340123
Energy: 0.8397237738322075
Energy: 0.5852704062310301
Energy: 0.7420068922986542
Energy: 0.7617176789002003
Energy: 0.7420068922978571
Energy: 0.5668947088394934
Energy: 0.8076756506321613
Energy: 0.6069720759695011
Energy: 0.8076756506321613

minimum gb energy = 0.5655158821831991 eV
minimum distance =  2.31599261228792 Angstroms
sigma value = 15


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

Energy: 0.7960926951143155
Energy: 0.5446023439966187
Energy: 0.7905146202313477
Energy: 0.5446023439959434
Energy: 0.9177093322967306
Energy: 0.542746227031914
Energy: 0.5437600489438217
Energy: 0.542746227031914
Energy: 0.5629494627312213
Energy: 0.5421188883166137
Energy: 0.691755346668737
Energy: 0.5421188883166137
Energy: 0.8085469049427098
Energy: 0.5434322016483901
Energy: 0.543724641926051
Energy: 0.5434322016483901
Energy: 0.541500043897467
Energy: 0.6016644334403425
Energy: 0.8023304951724152
Energy: 0.6016644334383167
Energy: 0.8033159223935282
Energy: 0.5441492316350988
Energy: 0.5436176726246598
Energy: 0.5441492316344235
Energy: 0.543188369741433
Energy: 0.6703011652663413
Energy: 0.5383324769056655
Energy: 0.6703011652663413
Energy: 0.6698912258585369
Energy: 0.5526821020591892
Energy: 0.5436671480470704
Energy: 0.5526821020591892
Energy: 0.5450702924942905
Energy: 0.5539854161595424
Energy: 0.7426067585409878
Energy: 0.5539854161595424
Energy: 0.5364804900759442
Energy: 0.542321749653523
Energy: 0.5418476714305062
Energy: 0.5423217496528477
Energy: 0.5432684406087059
Energy: 0.5438286263302053
Energy: 0.808287177171674
Energy: 0.5438286263308807
Energy: 0.5198054605789383
Energy: 0.5423959957503302
Energy: 0.5633406450115095
Energy: 0.5423959957503302
Energy: 0.5448761806130744
Energy: 0.5541686206661139
Energy: 1.0119475264579232
Energy: 0.5541686206667892
Energy: 0.5354346194484497
Energy: 0.5455554126412157
Energy: 0.7964465069241135
Energy: 0.5455554126412157
Energy: 0.5431412227238269
Energy: 0.5441084607787233
Energy: 1.0194815535690716
Energy: 0.5441084607793986
Energy: 0.6872280285362039
Energy: 0.5425678992524691
Energy: 0.5633064873415184
Energy: 0.5425678992531444
Energy: 0.5448389158839975
Energy: 0.5531926720627186
Energy: 0.9632241015201095
Energy: 0.553192672061368
Energy: 0.6960266470798637
Energy: 0.5977192120255443
Energy: 0.5418700175610764
Energy: 0.5977192120255443
Energy: 0.5432989228318955
Energy: 0.542217479706464
Energy: 0.8024461065378592
Energy: 0.5422174797071392
Energy: 0.6902226278571039
Energy: 0.5431420840901365
Energy: 0.5436686827447442
Energy: 0.5431420840914872
Energy: 0.5450857381467522
Energy: 0.5639941710678472
Energy: 0.6691485944648972
Energy: 0.5639941710685223
Energy: 0.6931484619151836
Energy: 0.5522973530032593
Energy: 0.5470929645103224
Energy: 0.552297352995831
Energy: 0.543113808379159
Energy: 0.5415899206638672
Energy: 0.5329355759041322
Energy: 0.5415899206645425
Energy: 0.9442038635591833
Energy: 0.5430745034111352
Energy: 0.5438007011131495
Energy: 0.5430745034111352
Energy: 0.5646960598852521
Energy: 0.562970250462572
Energy: 0.5361368151281853
Energy: 0.5629702504666236
Energy: 0.9175260088716095
Energy: 0.5524342606611055
Energy: 0.5471929236387315
Energy: 0.5524342606611055
Energy: 0.797629298872677
Energy: 0.5420848966519203
Energy: 0.5326425857375534
Energy: 0.5420848966519203
Energy: 1.016182562540153
Energy: 0.6612175140967649
Energy: 0.5436415324565741
Energy: 0.6612175140974402
Energy: 0.564656144909491
Energy: 0.6178101858140521
Energy: 0.532739069255491
Energy: 0.6178101858140521
Energy: 0.810683437567238
Energy: 0.5530384977552608
Energy: 0.5470004249929984
Energy: 0.5530384977545855
Energy: 0.5431303614477336
Energy: 0.5987803104331935
Energy: 0.6945879403783786
Energy: 0.5987803104331935
Energy: 0.7996796645780929
Energy: 0.5415433294873161
Energy: 0.5437540725157195
Energy: 0.5415433294866407
Energy: 0.5448878507640691
Energy: 0.6164778510245233
Energy: 0.6857594328735859
Energy: 0.6164778510245233
Energy: 0.5384216195329014
Energy: 0.5629842368983108
Energy: 0.5471259042573814
Energy: 0.5629842368976355
Energy: 0.5386320407833309
Energy: 0.5968141795987593
Energy: 0.6968993665788173
Energy: 0.5968141795994347
Energy: 0.5341170615348556
Energy: 0.541422516034293
Energy: 0.5455236502454248
Energy: 0.541422516034293
Energy: 0.5452451159425266
Energy: 0.6183397414575957
Energy: 0.9405219969735132
Energy: 0.6183397414575957

minimum gb energy = 0.5198054605789383 eV
minimum distance =  2.31798739270695 Angstroms
sigma value = 85


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

Energy: 0.8016294040166957
Energy: 0.5379662786703486
Energy: 0.6254293137213663
Energy: 0.537966278669763
Energy: 0.9716923663412675
Energy: 0.5283734733378668
Energy: 0.4965438278305068
Energy: 0.5283734733378668
Energy: 0.7729017249525595
Energy: 0.5336103159386792
Energy: 0.6053157389802875
Energy: 0.5336103159380935
Energy: 0.9479724422059879
Energy: 0.5246483096721354
Energy: 0.496510341974837
Energy: 0.5246483090158798
Energy: 0.5782620112294429
Energy: 0.5032473050189342
Energy: 0.4975912789893582
Energy: 0.5032473050189342
Energy: 0.851194087512509
Energy: 0.5327190354445216
Energy: 0.496473098475021
Energy: 0.5327190354445216
Energy: 0.5496389415381221
Energy: 0.634059095363897
Energy: 0.5561470296893549
Energy: 0.634059095363897
Energy: 0.751039706826719
Energy: 0.5231460801279226
Energy: 0.5039669059072971
Energy: 0.5231460801279226
Energy: 0.5030723469249245
Energy: 0.6059113111345453
Energy: 0.6732592341611489
Energy: 0.6059113111345453
Energy: 0.641805286211663
Energy: 0.5800148811389445
Energy: 0.5500621202076649
Energy: 0.5800148811389445
Energy: 0.49772329261440357
Energy: 0.5238452390039688
Energy: 0.7809169422185054
Energy: 0.5238452390045545
Energy: 0.5230782977190236
Energy: 0.5294408180532738
Energy: 0.5787007107458374
Energy: 0.5294408180532738
Energy: 0.49610422559607914
Energy: 0.5079842519683261
Energy: 0.8771869445655067
Energy: 0.5079842519683261
Energy: 0.4682282789729465
Energy: 0.5337991139666366
Energy: 0.7733747254976115
Energy: 0.5337991139666366
Energy: 0.4977446894735602
Energy: 0.5239301132597003
Energy: 1.0422823156380348
Energy: 0.5239301132597003
Energy: 0.4641494050625138
Energy: 0.5271190843466931
Energy: 0.7445678898722922
Energy: 0.5271190843466931
Energy: 0.49607163841085405
Energy: 0.5092777221649695
Energy: 0.9949028334613356
Energy: 0.5092777221649695
Energy: 0.5998170666754696
Energy: 0.5338309508007998
Energy: 0.7732994133511367
Energy: 0.5338309507943573
Energy: 0.4977086028499528
Energy: 0.5247602027155346
Energy: 0.9480432600285409
Energy: 0.5247602027149488
Energy: 0.6067244296083062
Energy: 0.5270991588589139
Energy: 0.5786966972879287
Energy: 0.5270991588583283
Energy: 0.49687936039234815
Energy: 0.5160653566961142
Energy: 0.8514265884041298
Energy: 0.5160653566961142
Energy: 0.6610923970069396
Energy: 0.5238565097545856
Energy: 0.5500721371749963
Energy: 0.5238565097545856
Energy: 0.5057649531206748
Energy: 0.5230311244943375
Energy: 0.7512058596946612
Energy: 0.5230311244949234
Energy: 0.6675707030426961
Energy: 0.5422197783550589
Energy: 0.5040612889989778
Energy: 0.5422197783544732
Energy: 0.5514310304541505
Energy: 0.5712695167294194
Energy: 0.6412854157724158
Energy: 0.5712695167294194
Energy: 0.8846175851959274
Energy: 0.5239018270086223
Energy: 0.49803613272711844
Energy: 0.5239018270086223
Energy: 0.5801722995102434
Energy: 0.5230190936049703
Energy: 0.5231154251784419
Energy: 0.5230190936049703
Energy: 0.8959821462745522
Energy: 0.5422283206667798
Energy: 0.4965381631311739
Energy: 0.5422283206667798
Energy: 0.7743147800550211
Energy: 0.5818077430606833
Energy: 0.5243474330563612
Energy: 0.5818077430595118
Energy: 1.0479446518898856
Energy: 0.5716626163709944
Energy: 0.4977933738099187
Energy: 0.5716626163709944
Energy: 0.8029660361866696
Energy: 0.5325534573997005
Energy: 0.4639412645506112
Energy: 0.5325534573991149
Energy: 0.9653481921350707
Energy: 0.5397959573858919
Energy: 0.4965928792785002
Energy: 0.5397959573853063
Energy: 0.7741661379589636
Energy: 0.5814326758655038
Energy: 0.46622925455770925
Energy: 0.5814326758649181
Energy: 0.9481009036801864
Energy: 0.5710760522643861
Energy: 0.4981070762062064
Energy: 0.5710760522643861
Energy: 0.5801382480676157
Energy: 0.523002798490266
Energy: 0.6065405240326948
Energy: 0.5230027984896802
Energy: 0.7649800095173513
Energy: 0.549318015848842
Energy: 0.49836505313429447
Energy: 0.5493180158494276
Energy: 0.5515922689679651
Energy: 0.6185168500806797
Energy: 0.6611445296983942
Energy: 0.6185168500806797
Energy: 0.7510513609719152
Energy: 0.5228744091282047
Energy: 0.5059305320488892
Energy: 0.5228744091282047
Energy: 0.5045530613818512
Energy: 0.5230191881229478
Energy: 0.6672951598354152
Energy: 0.5230191881229478
Energy: 0.5304457109477578
Energy: 0.557548296722399
Energy: 0.5537761278629388
Energy: 0.557548296722399
Energy: 0.4987876776841415
Energy: 0.6185585930760344
Energy: 0.8846911329882932
Energy: 0.6185585930760344
Energy: 0.5234084707046861
Energy: 0.5227673181364583
Energy: 0.582220721218791
Energy: 0.5227673181364583
Energy: 0.49812860732699
Energy: 0.5229243973522757
Energy: 0.893901798181158
Energy: 0.5229243973522757

minimum gb energy = 0.4639412645506112 eV
minimum distance =  2.33047780500818 Angstroms
sigma value = 113


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

Energy: 0.015639650043538067
Energy: 0.01629068069437559
Energy: 0.636771023813318
Energy: 0.01629068069437559
Energy: 0.6360201085335674
Energy: 0.24512780837890888
Energy: 0.24554261707359804
Energy: 0.24512780837890888
Energy: 0.015639650043538067
Energy: 0.01629068069437559
Energy: 0.6367698506186009
Energy: 0.01629068069437559
Energy: 0.6360201085335674
Energy: 0.24512780837890888
Energy: 0.2455426170757992
Energy: 0.24512780837890888
Energy: 0.015639650043538067
Energy: 0.016290680694825834
Energy: 0.636779566243651
Energy: 0.01629068069437559
Energy: 0.6360201085335674
Energy: 0.24512780837890888
Energy: 0.24554261707800037
Energy: 0.24512780837890888

minimum gb energy = 0.015639650043538067 eV
minimum distance =  2.52417281412616 Angstroms
sigma value = 1