Model name: model_name=EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147414512932301
cohesive_energy=6.897751515014914
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: -0.03216188 eV

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

Energy: 0.017601692222780366
Energy: 0.018344331144057435
Energy: 1.5872627668530899
Energy: 0.018344331144471142
Energy: 0.017601692222780366
Energy: 0.018344331144884853
Energy: 0.018344331144057435
Energy: 0.018344331144057435
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 1.5872627668534576
Energy: 0.018344331144884853
Energy: 0.017601692222780366
Energy: 0.018344331144471142
Energy: 1.5872627668530899
Energy: 0.018344331144884853
Energy: 0.018344331144057435
Energy: 0.018344331144057435
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.017601692222780366
Energy: 0.018344331144471142
Energy: 1.5872627668530899
Energy: 0.018344331144471142
Energy: 0.017601692223194076
Energy: 0.018344331144884853
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.018344331144471142
Energy: 0.018344331144884853
Energy: 0.018344331144884853

minimum gb energy = 0.017601692222780366 eV
minimum distance =  2.7217186736231 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.9929104351348634
Energy: 2.1118962918848005
Energy: 2.0088194899358767
Energy: 2.111896291885796
Energy: 1.9929104351358593
Energy: 2.111896291885796
Energy: 1.9472127977487041
Energy: 2.0986076285464605
Energy: 1.9473770337939262
Energy: 2.0986076285464605
Energy: 1.9472127977497
Energy: 2.0986076285464605
Energy: 1.9140125229449556
Energy: 2.101196498196107
Energy: 1.934160926560319
Energy: 2.101196498196107
Energy: 1.9140125229459515
Energy: 2.101196498196107
Energy: 1.9853609909753256
Energy: 2.061494876355986
Energy: 1.9118079866770463
Energy: 2.0614948763549905
Energy: 1.9853609909753256
Energy: 2.0614948763549905
Energy: 1.9847391479500425
Energy: 2.1091133881708926
Energy: 1.914646318918269
Energy: 2.109113388174876
Energy: 1.9847391479500425
Energy: 2.1091133881718886
Energy: 1.9347046789913027
Energy: 2.0982768406593655
Energy: 1.916628155881091
Energy: 2.0982768406593655
Energy: 1.9347046789903066
Energy: 2.0982768406583694
Energy: 1.9342900419438427
Energy: 2.09871296567625
Energy: 1.920934776927438
Energy: 2.0987129656752543
Energy: 1.9342900419428468
Energy: 2.09871296567625
Energy: 2.022367329379969
Energy: 2.1085928440763273
Energy: 1.9069003076132043
Energy: 2.108592844078319
Energy: 2.022367329378974
Energy: 2.108592844080311
Energy: 2.08479907016684
Energy: 2.058777187029828
Energy: 1.9158713201560253
Energy: 2.058777187029828
Energy: 2.08479907016684
Energy: 2.058777187029828
Energy: 1.936079096358996
Energy: 2.1050810198236145
Energy: 1.9062879145268028
Energy: 2.1050810198226184
Energy: 1.936079096358996
Energy: 2.1050810198226184
Energy: 1.907390996590081
Energy: 2.200877753494108
Energy: 1.9477362974876054
Energy: 2.200877753495104
Energy: 1.9073909965890852
Energy: 2.200877753495104
Energy: 1.8927432846648582
Energy: 2.1085000813401056
Energy: 1.8929285457607092
Energy: 2.1085000813391095
Energy: 1.892743284665854
Energy: 2.1085000813391095
Energy: 1.9478024942094694
Energy: 2.2008777534931117
Energy: 1.9055282537161686
Energy: 2.200877753494108
Energy: 1.9478024942084735
Energy: 2.2008777534931117
Energy: 1.9063090719050564
Energy: 2.1048201704079017
Energy: 1.936270505693563
Energy: 2.1048201704079017
Energy: 1.9063090719050564
Energy: 2.1048201704079017
Energy: 1.9160767956525409
Energy: 2.0588602109844207
Energy: 2.084812799143003
Energy: 2.0588602109854164
Energy: 1.9160767956525409
Energy: 2.0588602109854164
Energy: 1.9071372619102716
Energy: 2.1086079341654598
Energy: 2.022352663005427
Energy: 2.1086079341654598
Energy: 1.9071372619122633
Energy: 2.108607934164464
Energy: 1.9210159869944539
Energy: 2.0986626171130087
Energy: 1.9343053014595315
Energy: 2.098662617114005
Energy: 1.921015986993458
Energy: 2.098662617114005
Energy: 1.9168058329337683
Energy: 2.098301310107988
Energy: 1.934489708997372
Energy: 2.0983013101069914
Energy: 1.91680583293576
Energy: 2.098301310107988
Energy: 1.9841184041855284
Energy: 2.1092941737995043
Energy: 1.9846517752347557
Energy: 2.1092941737995043
Energy: 1.984118404182541
Energy: 2.1092941737985083
Energy: 1.9118905584602013
Energy: 2.0615196615014257
Energy: 1.9852751002793558
Energy: 2.0615196615024214
Energy: 1.9118905584602013
Energy: 2.0615196615024214
Energy: 1.9341705711842923
Energy: 2.1013314049792617
Energy: 1.9139034769887953
Energy: 2.1013314049792617
Energy: 1.9341705711842923
Energy: 2.1013314049792617
Energy: 1.9747778952376702
Energy: 2.0986544251657424
Energy: 1.9472290185236767
Energy: 2.0986544251667385
Energy: 1.9747778952366746
Energy: 2.0986544251667385
Energy: 2.0029373700900335
Energy: 2.1118962918867923
Energy: 1.9929104351358593
Energy: 2.111896291885796
Energy: 2.0029373700910296
Energy: 2.111896291885796

minimum gb energy = 1.8927432846648582 eV
minimum distance =  2.4233531029249 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.3994419010189234
Energy: 2.216306935874481
Energy: 1.9764708205435906
Energy: 2.216306935874481
Energy: 2.3994419010183567
Energy: 2.216306935874481
Energy: 2.0112961981733726
Energy: 2.176641727255476
Energy: 2.096230760231671
Energy: 2.176641727254343
Energy: 2.011296198175638
Energy: 2.176641727254343
Energy: 1.9637385561231806
Energy: 2.207362349201764
Energy: 2.0467238582596696
Energy: 2.2073623492006313
Energy: 1.9637385561214815
Energy: 2.2073623492006313
Energy: 1.9669839354569254
Energy: 2.1502355341027704
Energy: 2.121070431294555
Energy: 2.150235534101071
Energy: 1.9669839354546599
Energy: 2.150235534101071
Energy: 1.9672368205919415
Energy: 2.170534329127827
Energy: 2.039245635663527
Energy: 2.1705343291266943
Energy: 1.9672368205902417
Energy: 2.170534329127261
Energy: 2.028156261453173
Energy: 2.1666663032220814
Energy: 1.9875244532654985
Energy: 2.1666663032192495
Energy: 2.028156261451474
Energy: 2.1666663032192495
Energy: 2.0280233901346922
Energy: 2.1659952117771617
Energy: 2.149913520881541
Energy: 2.165995211776595
Energy: 2.028023390133559
Energy: 2.1659952117760284
Energy: 1.9776596563880002
Energy: 2.1658497971327755
Energy: 1.9924989363515906
Energy: 2.1658497971322093
Energy: 1.9776596563891333
Energy: 2.1658497971327755
Energy: 1.9657838552791225
Energy: 2.14906340660123
Energy: 2.0289815093932217
Energy: 2.149063406602929
Energy: 1.965783855279689
Energy: 2.1490634066034957
Energy: 1.957587966922369
Energy: 2.1995743937425836
Energy: 1.963885904410471
Energy: 2.19957439374315
Energy: 1.9575879669218024
Energy: 2.1995743937425836
Energy: 1.9860132801156085
Energy: 2.2129304131700414
Energy: 2.095395170360253
Energy: 2.2129304131700414
Energy: 1.986013280113343
Energy: 2.2129304131700414
Energy: 2.046592050104059
Energy: 2.1669775048836435
Energy: 1.9941633947370558
Energy: 2.1669775048859092
Energy: 2.046592050104059
Energy: 2.166977504886476
Energy: 2.1222484462977214
Energy: 2.1389918746719756
Energy: 2.011824074433186
Energy: 2.138991874671409
Energy: 2.1222484462971547
Energy: 2.138991874671409
Energy: 2.0396394931168507
Energy: 2.2060237525180075
Energy: 2.0012509501025875
Energy: 2.206023752517441
Energy: 2.0396394931151516
Energy: 2.2060237525168747
Energy: 2.047451183304469
Energy: 2.172986497053778
Energy: 2.107502090730775
Energy: 2.1729864970549113
Energy: 2.0474511833033358
Energy: 2.1729864970549113
Energy: 2.047587015827009
Energy: 2.1706070571970426
Energy: 1.9919116725086043
Energy: 2.1706070571947773
Energy: 2.04758701582531
Energy: 2.1706070571947773
Energy: 2.0655255493592013
Energy: 2.1665385966010478
Energy: 1.9645529743685846
Energy: 2.1665385966016144
Energy: 2.065525549360901
Energy: 2.1665385966016144
Energy: 2.0650608015691554
Energy: 2.171990441934843
Energy: 2.1045399085740937
Energy: 2.1719904419342764
Energy: 2.0650608015663234
Energy: 2.1719904419342764
Energy: 1.9980042419994366
Energy: 2.1664571132183363
Energy: 2.027802890420384
Energy: 2.1664571132189026
Energy: 1.9980042419977373
Energy: 2.1664571132189026
Energy: 1.9662598892430607
Energy: 2.1643992729643875
Energy: 2.0289191891831218
Energy: 2.1643992729621218
Energy: 1.9662598892464596
Energy: 2.1643992729621218
Energy: 2.0692117144862934
Energy: 2.19981532878446
Energy: 1.976186473157203
Energy: 2.1998153287861597
Energy: 2.0692117144862934
Energy: 2.1998153287861597
Energy: 1.9857331740520252
Energy: 2.2185131963816307
Energy: 2.132258739718902
Energy: 2.2185131963810645
Energy: 1.9857331740514592
Energy: 2.2185131963816307
Energy: 1.95799425764459
Energy: 2.166658806374164
Energy: 2.0634948576328904
Energy: 2.1666588063730314
Energy: 1.9579942576451559
Energy: 2.1666588063730314
Energy: 2.0645168101086595
Energy: 2.1775703983230374
Energy: 2.030237080485115
Energy: 2.1775703983224717
Energy: 2.0645168101097924
Energy: 2.1775703983224717
Energy: 2.0064292859401003
Energy: 2.1661712304718885
Energy: 2.0465327856230795
Energy: 2.1661712304718885
Energy: 2.006429285938967
Energy: 2.1661712304718885
Energy: 2.06694689926313
Energy: 2.2123738046131707
Energy: 2.0628519196557624
Energy: 2.2123738046120383
Energy: 2.0669468992636966
Energy: 2.2123738046120383
Energy: 2.0669359222958295
Energy: 2.2124563039644
Energy: 2.060659531980754
Energy: 2.2124563039627008
Energy: 2.0669359222958295
Energy: 2.2124563039627008
Energy: 2.0064259080239286
Energy: 2.166171290415027
Energy: 2.0465602376530887
Energy: 2.166171290415027
Energy: 2.0064259080244953
Energy: 2.166171290415593
Energy: 2.0647886315759405
Energy: 2.1777587918249095
Energy: 2.0302376208984536
Energy: 2.1777587918254757
Energy: 2.06478863157764
Energy: 2.1777587918249095
Energy: 1.9580009621443493
Energy: 2.166702235437047
Energy: 2.00082491881348
Energy: 2.166702235439313
Energy: 1.9580009621437828
Energy: 2.166702235439313
Energy: 1.9859390147975762
Energy: 2.2185131963804983
Energy: 2.132251289490096
Energy: 2.2185131963810645
Energy: 1.9859390147924785
Energy: 2.2185131963810645
Energy: 2.069212583621555
Energy: 2.2001160887358924
Energy: 1.9761999673681279
Energy: 2.200116088734759
Energy: 2.0692125836221216
Energy: 2.200116088734759
Energy: 1.9663050667044042
Energy: 2.164499285968821
Energy: 2.0289658596945537
Energy: 2.164499285969388
Energy: 1.966305066700439
Energy: 2.164499285968821
Energy: 1.9891212656864257
Energy: 2.1664495060187097
Energy: 2.0286440823935434
Energy: 2.1664495060181435
Energy: 1.9891212656847266
Energy: 2.1664495060187097
Energy: 2.0652402937718706
Energy: 2.1719163069208833
Energy: 2.170272694858674
Energy: 2.1719163069191842
Energy: 2.065240293770738
Energy: 2.171916306918618
Energy: 2.065331641781771
Energy: 2.1665763016521393
Energy: 1.9646509924514215
Energy: 2.1665763016515722
Energy: 2.0653316417806384
Energy: 2.1665763016515722
Energy: 2.047558991117897
Energy: 2.1704400001539894
Energy: 1.9805140286476426
Energy: 2.1704400001539894
Energy: 2.047558991117897
Energy: 2.170440000154555
Energy: 2.0475312965659556
Energy: 2.17296066111668
Energy: 2.1084926269825632
Energy: 2.172960661117246
Energy: 2.0475312965653893
Energy: 2.172960661117246
Energy: 2.0397724239940658
Energy: 2.2060134399948343
Energy: 2.06744520316246
Energy: 2.206013439994268
Energy: 2.0397724239917996
Energy: 2.2060134399937015
Energy: 2.1223268904368777
Energy: 2.138815209610889
Energy: 2.011659497101419
Energy: 2.1388152096114554
Energy: 2.122326890436311
Energy: 2.1388152096114554
Energy: 2.046577598797602
Energy: 2.1669767315332495
Energy: 1.9809780201878062
Energy: 2.166976731532117
Energy: 2.0465775987947694
Energy: 2.166976731532117

minimum gb energy = 1.9575879669218024 eV
minimum distance =  2.36074903764867 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.0628219996977073
Energy: 2.0638865431853497
Energy: 2.177338125941243
Energy: 2.0638865431800997
Energy: 2.0628219996950823
Energy: 2.0638865431800997
Energy: 1.954288032611157
Energy: 2.1327890671212453
Energy: 2.1776460712143506
Energy: 2.1327890671238703
Energy: 1.9542880326098446
Energy: 2.1327890671238703
Energy: 1.949856525446722
Energy: 2.160203817390188
Energy: 2.1762278588203494
Energy: 2.1602038173875635
Energy: 1.9498565254454097
Energy: 2.160203817388876
Energy: 1.9490900279180432
Energy: 2.133170850776822
Energy: 2.1764125747190097
Energy: 2.1331708507794467
Energy: 1.949090027920668
Energy: 2.133170850780759
Energy: 1.9559468224896246
Energy: 2.133744466502136
Energy: 2.1485517868688535
Energy: 2.133744466500824
Energy: 1.9559468224896246
Energy: 2.133744466500824
Energy: 2.063469469264246
Energy: 2.1326314001196884
Energy: 2.2437306459003796
Energy: 2.132631400124938
Energy: 2.0634694692629334
Energy: 2.132631400124938
Energy: 2.06437911356845
Energy: 2.133073179454986
Energy: 2.0060277671521582
Energy: 2.1330731794562983
Energy: 2.0643791135671377
Energy: 2.133073179454986
Energy: 1.9488089257284495
Energy: 2.13280084381934
Energy: 1.9614785770639527
Energy: 2.13280084381934
Energy: 1.9488089257284495
Energy: 2.13280084381934
Energy: 2.1771878055268314
Energy: 2.3070372236324115
Energy: 1.9786030688421925
Energy: 2.3070372236376615
Energy: 2.1771878055255187
Energy: 2.3070372236363488
Energy: 1.9541765494567767
Energy: 2.076704077456299
Energy: 1.9613869152680472
Energy: 2.0767040774523617
Energy: 1.9541765494554644
Energy: 2.0767040774523617
Energy: 2.1757455289471657
Energy: 2.1333196317155503
Energy: 2.1770469835955732
Energy: 2.1333196317116125
Energy: 2.1757455289511034
Energy: 2.133319631712925
Energy: 2.066088678128125
Energy: 2.1507284743873747
Energy: 2.242415986944109
Energy: 2.1507284743886874
Energy: 2.066088678128125
Energy: 2.1507284743899997
Energy: 2.03874943546653
Energy: 2.1325927293848506
Energy: 2.1768801513672402
Energy: 2.1325927293822255
Energy: 2.03874943546653
Energy: 2.1325927293822255
Energy: 1.9501581824903742
Energy: 2.1504234336944656
Energy: 2.1770915313327395
Energy: 2.1504234336997152
Energy: 1.9501581824903742
Energy: 2.1504234336997152
Energy: 1.9551809861123848
Energy: 2.1509100030431436
Energy: 2.177228135053426
Energy: 2.150910003045769
Energy: 1.9551809861097598
Energy: 2.1509100030444563
Energy: 1.949649113419809
Energy: 2.1553520279633926
Energy: 2.1767672992214786
Energy: 2.1553520279620804
Energy: 1.949649113419809
Energy: 2.155352027960768
Energy: 2.0634562869914013
Energy: 2.063476572648844
Energy: 2.2420418156810484
Energy: 2.0634765726514686
Energy: 2.0634562869887763
Energy: 2.0634765726514686
Energy: 2.0645163526904393
Energy: 2.132703289819527
Energy: 2.17642416012687
Energy: 2.1327032898142773
Energy: 2.0645163526904393
Energy: 2.1327032898142773

minimum gb energy = 1.9488089257284495 eV
minimum distance =  2.33572890995293 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.2897120556734047
Energy: 2.2853087161523877
Energy: 2.1467069993306835
Energy: 2.285308716150831
Energy: 2.2897120556741837
Energy: 2.285308716150831
Energy: 2.0556387397506164
Energy: 2.253975183350476
Energy: 2.046454767639892
Energy: 2.253975183350476
Energy: 2.0556387397529523
Energy: 2.253975183350476
Energy: 1.982682691735805
Energy: 2.2746158298660615
Energy: 2.0466347635680213
Energy: 2.2746158298660615
Energy: 1.9826826917350264
Energy: 2.2746158298660615
Energy: 2.0582594937577676
Energy: 2.271593690160397
Energy: 2.294444014911489
Energy: 2.271593690159619
Energy: 2.0582594937562106
Energy: 2.271593690159619
Energy: 2.028954666836494
Energy: 2.2828857431767817
Energy: 2.2340427253399624
Energy: 2.2828857431767817
Energy: 2.028954666836494
Energy: 2.2828857431775598
Energy: 2.2340686746937064
Energy: 2.2828263612219377
Energy: 2.028815913931718
Energy: 2.2828263612219377
Energy: 2.2340686746944844
Energy: 2.2828263612219377
Energy: 2.2945515758609187
Energy: 2.2716151925949513
Energy: 2.0509033400783485
Energy: 2.271615192596509
Energy: 2.2945515758609187
Energy: 2.271615192596509
Energy: 2.0467980914044897
Energy: 2.2745097560306675
Energy: 1.9826709623591654
Energy: 2.2745097560306675
Energy: 2.0467980914044897
Energy: 2.2745097560306675
Energy: 2.0464054424669786
Energy: 2.254094469783446
Energy: 2.054665719569344
Energy: 2.2540944697826677
Energy: 2.046405442467757
Energy: 2.2540944697826677
Energy: 2.183881905070741
Energy: 2.2853087161516097
Energy: 2.2897120556741837
Energy: 2.2853087161523877
Energy: 2.1838819050699616
Energy: 2.2853087161523877
Energy: 2.046454767639113
Energy: 2.2539751833496977
Energy: 2.0546498812592677
Energy: 2.253975183350476
Energy: 2.046454767639113
Energy: 2.253975183350476
Energy: 2.0466347635664643
Energy: 2.2746158298660615
Energy: 1.9826826917350264
Energy: 2.2746158298660615
Energy: 2.0466347635664643
Energy: 2.2746158298660615
Energy: 2.294444014911489
Energy: 2.271593690160397
Energy: 2.0570354834280145
Energy: 2.271593690161176
Energy: 2.294444014911489
Energy: 2.271593690161176
Energy: 2.1592878210165933
Energy: 2.2828857431775598
Energy: 2.0289546668349367
Energy: 2.2828857431775598
Energy: 2.1592878210165933
Energy: 2.2828857431775598
Energy: 2.0288159139301616
Energy: 2.282826361220381
Energy: 2.2939139608584247
Energy: 2.282826361220381
Energy: 2.0288159139301616
Energy: 2.282826361220381
Energy: 2.0509033400783485
Energy: 2.271615192594173
Energy: 2.29455157586014
Energy: 2.27161519259573
Energy: 2.050903340079127
Energy: 2.27161519259573
Energy: 1.982670962359944
Energy: 2.2745097560298886
Energy: 2.046798091405268
Energy: 2.2745097560306675
Energy: 1.9826709623607224
Energy: 2.2745097560306675
Energy: 2.0546657195701226
Energy: 2.254094469783446
Energy: 2.0464054424685356
Energy: 2.254094469783446
Energy: 2.0546657195701226
Energy: 2.254094469783446
Energy: 2.2897120556741837
Energy: 2.285308716150831
Energy: 2.1805300908587517
Energy: 2.2853087161523877
Energy: 2.2897120556741837
Energy: 2.2853087161523877
Energy: 2.0546498812592677
Energy: 2.2539751833512547
Energy: 2.046454767639892
Energy: 2.253975183350476
Energy: 2.054649881258489
Energy: 2.2539751833512547
Energy: 1.9826826917342482
Energy: 2.274615829865283
Energy: 2.0466347635680213
Energy: 2.2746158298660615
Energy: 1.982682691735805
Energy: 2.2746158298660615
Energy: 2.057035483427236
Energy: 2.271593690159619
Energy: 2.294444014912268
Energy: 2.271593690160397
Energy: 2.057035483427236
Energy: 2.271593690159619
Energy: 2.028954666836494
Energy: 2.2828857431783387
Energy: 2.1592878210158144
Energy: 2.2828857431775598
Energy: 2.0289546668357157
Energy: 2.2828857431783387
Energy: 2.2939139608584247
Energy: 2.2828263612219377
Energy: 2.028815913931718
Energy: 2.2828263612219377
Energy: 2.2939139608592036
Energy: 2.2828263612219377
Energy: 2.29455157586014
Energy: 2.271615192596509
Energy: 2.0509033400783485
Energy: 2.2716151925949513
Energy: 2.2945515758616972
Energy: 2.2716151925949513
Energy: 2.046798091405268
Energy: 2.2745097560306675
Energy: 1.9826709623583867
Energy: 2.2745097560306675
Energy: 2.0467980914044897
Energy: 2.2745097560306675
Energy: 2.046405442467757
Energy: 2.254094469783446
Energy: 2.054665719569344
Energy: 2.254094469783446
Energy: 2.046405442467757
Energy: 2.254094469783446
Energy: 2.16893696622957
Energy: 2.2853087161523877
Energy: 2.2897120556741837
Energy: 2.285308716150831
Energy: 2.16893696622957
Energy: 2.2853087161516097
Energy: 2.046454767639892
Energy: 2.2539751833512547
Energy: 2.0546498812592677
Energy: 2.2539751833512547
Energy: 2.0464547676375564
Energy: 2.253975183350476
Energy: 2.0466347635672433
Energy: 2.2746158298660615
Energy: 1.9826826917350264
Energy: 2.2746158298660615
Energy: 2.0466347635680213
Energy: 2.2746158298660615

minimum gb energy = 1.9826709623583867 eV
minimum distance =  2.3288300796124 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.1357135246569903
Energy: 2.2035294640793146
Energy: 2.3828519892292612
Energy: 2.2035294640812215
Energy: 2.1357135246569903
Energy: 2.2035294640812215
Energy: 1.7820929037940347
Energy: 2.0434025933553555
Energy: 2.0394962530356784
Energy: 2.0434025933553555
Energy: 1.782092903792128
Energy: 2.0434025933553555
Energy: 2.012664616377855
Energy: 2.4731585202769555
Energy: 2.01500801045774
Energy: 2.4731585202750486
Energy: 2.012664616377855
Energy: 2.4731585202769555
Energy: 1.8556164657998537
Energy: 2.12814189303104
Energy: 1.8170970743236075
Energy: 2.128141893032947
Energy: 1.8556164658017609
Energy: 2.128141893032947
Energy: 2.110808125228624
Energy: 2.1277848946992584
Energy: 1.8750743415030702
Energy: 2.1277848947011653
Energy: 2.110808125228624
Energy: 2.1277848947011653
Energy: 2.0166798043913805
Energy: 1.9014027710848243
Energy: 2.045089051740185
Energy: 1.9014027710848243
Energy: 2.0166798043913805
Energy: 1.9014027710848243
Energy: 2.045235678667076
Energy: 2.0148822061083815
Energy: 2.0137546665064345
Energy: 2.0148822061064746
Energy: 2.045235678667076
Energy: 2.0148822061064746
Energy: 2.1361585773098373
Energy: 2.206207100220596
Energy: 2.081207768509512
Energy: 2.206207100220596
Energy: 2.13615857730793
Energy: 2.2062071002225023
Energy: 2.04543171400295
Energy: 2.1688549357767704
Energy: 1.781894806233686
Energy: 2.1688549357767704
Energy: 2.04543171400295
Energy: 2.1688549357786777
Energy: 2.016644215885789
Energy: 2.225281477975707
Energy: 2.0163886683219125
Energy: 2.2252814779776138
Energy: 2.016644215885789
Energy: 2.2252814779776138
Energy: 2.013899181574992
Energy: 2.138090373398553
Energy: 1.8173553624739125
Energy: 2.138090373398553
Energy: 2.013899181574992
Energy: 2.138090373398553
Energy: 2.0423568311242786
Energy: 2.127992454764668
Energy: 1.8555668898745683
Energy: 2.127992454764668
Energy: 2.0423568311242786
Energy: 2.1279924547627616

minimum gb energy = 1.781894806233686 eV
minimum distance =  2.37525726586424 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.3730319448914416
Energy: 2.380220589539759
Energy: 2.1638547524903538
Energy: 2.380220589539759
Energy: 2.3730319448919777
Energy: 2.380220589539759
Energy: 2.090357179919022
Energy: 2.3819884163128826
Energy: 1.99761782793068
Energy: 2.3819884163107394
Energy: 2.0903571799174143
Energy: 2.3809840367597936
Energy: 1.9871728623497427
Energy: 2.398032177873955
Energy: 1.9979583274247334
Energy: 2.3980321778744904
Energy: 1.9871728623492069
Energy: 2.3980321778744904
Energy: 2.0294908522157127
Energy: 2.3622458845840693
Energy: 1.956230485130581
Energy: 2.3622458845851413
Energy: 2.0294908522151767
Energy: 2.3622458845846053
Energy: 1.9902368930979837
Energy: 2.3645454972249302
Energy: 1.9697076563837312
Energy: 2.364545497223323
Energy: 1.9902368930990548
Energy: 2.364545497222787
Energy: 1.9583612578540548
Energy: 2.225391625872059
Energy: 2.013949872718909
Energy: 2.2820632191184886
Energy: 1.9583612578556622
Energy: 2.225391625872059
Energy: 2.14049888919746
Energy: 2.3477671714454327
Energy: 2.103924940658865
Energy: 2.347767171444897
Energy: 2.1404988891969245
Energy: 2.347767171444897
Energy: 2.105500484656635
Energy: 2.341668106065998
Energy: 2.1037997262021064
Energy: 2.3416681060681412
Energy: 2.1055004846593137
Energy: 2.3416681060676052
Energy: 2.0726939862520384
Energy: 2.300138992729424
Energy: 2.0673754527661763
Energy: 2.300138992728352
Energy: 2.0726939862536455
Energy: 2.3001389927278164
Energy: 2.1275003720566956
Energy: 2.3702832432543097
Energy: 1.9907012394334156
Energy: 2.3702832432543097
Energy: 2.1275003720572316
Energy: 2.3702832432543097
Energy: 2.077831482142956
Energy: 2.3429266794344126
Energy: 2.0163547675397466
Energy: 2.3429266794338766
Energy: 2.077831482144563
Energy: 2.342926679433341
Energy: 1.9972443609719643
Energy: 2.363370781265169
Energy: 1.9883182704695568
Energy: 2.3633707812667764
Energy: 1.9972443609708923
Energy: 2.3633707812662403
Energy: 1.994173879321581
Energy: 2.2248876649186413
Energy: 2.032968815423113
Energy: 2.2248876649175693
Energy: 1.994173879321581
Energy: 2.2248876649175693
Energy: 2.1630970249613815
Energy: 2.379908867425169
Energy: 1.98967526557681
Energy: 2.3799088674246334
Energy: 2.1630970249597743
Energy: 2.379908867425169
Energy: 2.00239161365221
Energy: 2.4035929002820735
Energy: 2.015876322697247
Energy: 2.4035929002804663
Energy: 2.002391613650603
Energy: 2.4035929002799303
Energy: 2.0632618181642064
Energy: 2.3499090776985496
Energy: 1.9880981184700064
Energy: 2.3499090776980136
Energy: 2.0632618181647424
Energy: 2.3499090776974776
Energy: 2.1394434763626817
Energy: 2.3721460807767585
Energy: 1.990308861288402
Energy: 2.372146080775687
Energy: 2.139443476362146
Energy: 2.3721460807767585
Energy: 1.996016033531064
Energy: 2.2360871130654725
Energy: 2.0595102648564887
Energy: 2.236087113066544
Energy: 1.9960160335305281
Energy: 2.23608711306708
Energy: 2.119214340900904
Energy: 2.3823717491847876
Energy: 1.9551844008949069
Energy: 2.382371749185323
Energy: 2.1192143409014395
Energy: 2.382371749185859
Energy: 1.994512661916208
Energy: 2.376768375999592
Energy: 1.9945209875341734
Energy: 2.3767683759953058
Energy: 1.9945126619178155
Energy: 2.376768375995842
Energy: 1.9551960375968347
Energy: 2.382471682090292
Energy: 2.119229323883671
Energy: 2.382471682090292
Energy: 1.9551960375957629
Energy: 2.382471682090828
Energy: 2.059502153771039
Energy: 2.235996654722558
Energy: 1.9959855237413393
Energy: 2.235996654723094
Energy: 2.059502153771575
Energy: 2.235996654723094
Energy: 1.9903118774479112
Energy: 2.37207043467771
Energy: 2.1395170401878874
Energy: 2.37207043467771
Energy: 1.9903118774479112
Energy: 2.37207043467771
Energy: 1.9879304054953977
Energy: 2.349924849164767
Energy: 2.06322145483753
Energy: 2.349924849165303
Energy: 1.9879304054980764
Energy: 2.349924849165303
Energy: 2.015848032995795
Energy: 2.4036065615842106
Energy: 2.00235940224243
Energy: 2.403606561584746
Energy: 2.015848032995795
Energy: 2.403606561584746
Energy: 1.9896435426339263
Energy: 2.3919594613522017
Energy: 2.163080413444002
Energy: 2.3919594613527373
Energy: 1.9896435426333905
Energy: 2.391959461351666
Energy: 2.0329170372260665
Energy: 2.2248546493453616
Energy: 1.9942253397911192
Energy: 2.2248546493442896
Energy: 2.0329170372292813
Energy: 2.2248546493442896
Energy: 1.988239918583646
Energy: 2.3639286871071854
Energy: 1.9972521585362382
Energy: 2.3639286871066982
Energy: 1.98823991858311
Energy: 2.363928687106162
Energy: 2.01905707756879
Energy: 2.3429055432804033
Energy: 2.1086531886547792
Energy: 2.3429055432804033
Energy: 2.01905707756879
Energy: 2.342905543280939
Energy: 1.9911981019551874
Energy: 2.370168403139907
Energy: 2.1482473062123786
Energy: 2.370168403139371
Energy: 1.9911981019557228
Energy: 2.370168403139371
Energy: 1.9972285027165115
Energy: 2.300138992728352
Energy: 2.072628524219839
Energy: 2.3001389927278164
Energy: 1.9972285027149042
Energy: 2.3001389927278164
Energy: 2.103812866075417
Energy: 2.3416216007044373
Energy: 2.105515917817153
Energy: 2.3416216007039017
Energy: 2.103812866074346
Energy: 2.3416216007039017
Energy: 2.1039804446245998
Energy: 2.3463124794452206
Energy: 2.140454606688194
Energy: 2.3463124794457566
Energy: 2.1039804446240638
Energy: 2.3463124794457566
Energy: 2.0138714657391694
Energy: 2.3056334536510463
Energy: 1.9583311260842455
Energy: 2.305633453649975
Energy: 2.013871465735954
Energy: 2.3056334536494387
Energy: 1.9559870298617539
Energy: 2.367209093077704
Energy: 1.9902334665821464
Energy: 2.36720909307824
Energy: 1.9559870298638968
Energy: 2.36720909307824
Energy: 1.9563173348429472
Energy: 2.406957302817306
Energy: 2.0294947415345366
Energy: 2.4069573028178413
Energy: 1.9563173348418756
Energy: 2.4069573028178413
Energy: 1.998127785370008
Energy: 2.3981075714464675
Energy: 1.987157765809556
Energy: 2.3981075714464675
Energy: 1.9981277853684005
Energy: 2.398107571445396
Energy: 1.9976731046224927
Energy: 2.3256910445326255
Energy: 2.090352253899807
Energy: 2.325691044531554
Energy: 1.9976731046214213
Energy: 2.3256910445326255
Energy: 2.1124164293608354
Energy: 2.3802205895402944
Energy: 2.373031944895728
Energy: 2.3802205895386868
Energy: 2.1124164293624426
Energy: 2.3802205895386868
Energy: 1.9976178279269294
Energy: 2.380984036758186
Energy: 2.090357179915271
Energy: 2.3809840367576505
Energy: 1.9976178279285368
Energy: 2.380984036758186
Energy: 1.9979583274220543
Energy: 2.3980321778755624
Energy: 1.9871728623449205
Energy: 2.3980321778771696
Energy: 1.9979583274241977
Energy: 2.3980321778771696
Energy: 1.9562304851375463
Energy: 2.3622458845840693
Energy: 2.029490852211962
Energy: 2.362245884582998
Energy: 1.9562304851364745
Energy: 2.362245884583534
Energy: 2.060411897371326
Energy: 2.3645454972249302
Energy: 1.990236893099591
Energy: 2.3645454972270734
Energy: 2.0604118973718615
Energy: 2.364545497226538

minimum gb energy = 1.9551844008949069 eV
minimum distance =  2.33641328100998 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.044037162572846
Energy: 2.03114503870338
Energy: 1.9371713750147659
Energy: 2.031145038700941
Energy: 2.0440371625716263
Energy: 2.0311450387021606
Energy: 1.8043264408382904
Energy: 2.3486287176523346
Energy: 2.00747812924864
Energy: 2.3486287176523346
Energy: 1.804326440835851
Energy: 2.348628717653554
Energy: 1.8156990467122947
Energy: 2.2559541073013767
Energy: 1.9895733999884575
Energy: 2.2559541073025415
Energy: 1.8156990467122947
Energy: 2.2559541073025415
Energy: 1.8436698972222756
Energy: 1.8441098128456945
Energy: 1.8692975443398487
Energy: 1.844109812844475
Energy: 1.8436698972210561
Energy: 1.8441098128456945
Energy: 1.8429884958133278
Energy: 2.1886915323229332
Energy: 1.963473795965597
Energy: 2.1886915323229332
Energy: 1.8429884958108884
Energy: 2.1886915323229332
Energy: 1.8444959217825205
Energy: 2.254787141635595
Energy: 1.815946627393565
Energy: 2.254787141635595
Energy: 1.8444959217825205
Energy: 2.2547871416368146
Energy: 1.8444867954198794
Energy: 2.2548452942523474
Energy: 1.8160874027209126
Energy: 2.2548452942499084
Energy: 1.8444867954210988
Energy: 2.2548452942499084
Energy: 1.8430150390749387
Energy: 2.1883693127668797
Energy: 1.9103281682591144
Energy: 2.1883693127668797
Energy: 1.8430150390761584
Energy: 2.1883693127668797
Energy: 1.843704101717045
Energy: 1.8440344521642653
Energy: 1.964113520872771
Energy: 1.8440344521642653
Energy: 1.8437041017182647
Energy: 1.8440344521654848
Energy: 1.8156944735743918
Energy: 2.2559178276614325
Energy: 1.9895704784655526
Energy: 2.2559178276626524
Energy: 1.8156944735731722
Energy: 2.2559178276614325
Energy: 1.8043830394221982
Energy: 2.3486287176523346
Energy: 1.9079347703011975
Energy: 2.348628717651115
Energy: 1.8043830394209783
Energy: 2.348628717651115
Energy: 2.044037162572846
Energy: 2.0311450387021606
Energy: 2.169252380981731
Energy: 2.03114503870338
Energy: 2.0440371625716263
Energy: 2.03114503870338
Energy: 1.804326440837071
Energy: 2.348628717653554
Energy: 1.8430602401955503
Energy: 2.3486287176523346
Energy: 1.8043264408382904
Energy: 2.3486287176523346
Energy: 1.8156990467098557
Energy: 2.2559541073025415
Energy: 1.9895733999884575
Energy: 2.2559541073013767
Energy: 1.8156990467110752
Energy: 2.2559541073013767
Energy: 1.8436698972222756
Energy: 1.8441098128456945
Energy: 1.8692975443398487
Energy: 1.8441098128456945
Energy: 1.8436698972210561
Energy: 1.8441098128456945
Energy: 1.8429884958121079
Energy: 2.1886915323229332
Energy: 1.8441926620594014
Energy: 2.1886915323229332
Energy: 1.8429884958121079
Energy: 2.1886915323229332
Energy: 1.8444959217837402
Energy: 2.2547871416368146
Energy: 1.815946627393565
Energy: 2.2547871416368146
Energy: 1.8444959217825205
Energy: 2.2547871416368146
Energy: 1.8444867954210988
Energy: 2.2548452942486885
Energy: 1.8160874027209126
Energy: 2.2548452942499084
Energy: 1.8444867954210988
Energy: 2.254845294251128
Energy: 1.8430150390749387
Energy: 2.1883693127668797
Energy: 1.8695277311281027
Energy: 2.1883693127680997
Energy: 1.8430150390761584
Energy: 2.1883693127680997

minimum gb energy = 1.804326440835851 eV
minimum distance =  2.3040872171258 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.9125425131767297
Energy: 2.2604123812523365
Energy: 1.9656223839920914
Energy: 2.26041238125591
Energy: 1.9125425131767297
Energy: 2.260412381257616
Energy: 2.126593507305663
Energy: 2.1996273546316005
Energy: 1.7507044709593644
Energy: 2.199627354629814
Energy: 2.126593507303876
Energy: 2.199627354630707
Energy: 1.8698402245025354
Energy: 1.8694893079998185
Energy: 1.94308081343754
Energy: 1.869489308005179
Energy: 1.8698402245016423
Energy: 1.8694893080042856
Energy: 1.9423685051892656
Energy: 1.7703762952325448
Energy: 1.7498128127814836
Energy: 1.770376295235225
Energy: 1.9423685051928394
Energy: 1.770376295235225
Energy: 1.7484341287840215
Energy: 2.252101295627524
Energy: 1.7698420173892357
Energy: 2.252101295626631
Energy: 1.748434128778661
Energy: 2.252101295626631
Energy: 1.7712489257951656
Energy: 2.2346916532941665
Energy: 1.750067430652699
Energy: 2.2346916532950605
Energy: 1.7712489257969524
Energy: 2.2346916532950605
Energy: 1.7689997241132651
Energy: 2.066253438108474
Energy: 1.7493040402059639
Energy: 2.066253438111154
Energy: 1.7689997241123714
Energy: 2.0662534381102615
Energy: 2.1663954034188504
Energy: 2.246648967307143
Energy: 1.8119695229961754
Energy: 2.2466489673116095
Energy: 2.166395403421531
Energy: 2.246648967310717
Energy: 2.1648691733208865
Energy: 2.2699483521215704
Energy: 2.061450835262728
Energy: 2.2699483521233574
Energy: 2.1648691733244605
Energy: 2.2699483521215704
Energy: 1.771500481430342
Energy: 1.8663764792680366
Energy: 1.7505952277205434
Energy: 1.866376479273397
Energy: 1.7715004814348094
Energy: 1.866376479273397
Energy: 1.7693836490437513
Energy: 2.2331379215713
Energy: 1.7488734191742312
Energy: 2.2331379215757674
Energy: 1.769383649047325
Energy: 2.233137921574874
Energy: 1.7506544526063066
Energy: 2.253528087245487
Energy: 1.851694336598625
Energy: 2.253528087244594
Energy: 1.7506544526080934
Energy: 2.253528087244594
Energy: 1.7695241966492705
Energy: 1.7720223389914471
Energy: 1.8002028394620297
Energy: 1.7720223389914471
Energy: 1.7695241966519506
Energy: 1.7720223389905538
Energy: 1.7571730532625616
Energy: 1.8518511348655955
Energy: 1.9411868244406945
Energy: 1.851851134863809
Energy: 1.7571730532625616
Energy: 1.851851134863809
Energy: 1.749140868946064
Energy: 2.252541889375721
Energy: 1.7491632037727691
Energy: 2.252541889378402
Energy: 1.7491408689514243
Energy: 2.252541889378402
Energy: 1.8105313603832522
Energy: 2.2570594708887204
Energy: 1.9712363263388968
Energy: 2.257059470886934
Energy: 1.8105313603805717
Energy: 2.257059470886934
Energy: 2.134514684365887
Energy: 2.1989853763560405
Energy: 1.7693220290043656
Energy: 2.1989853763533604
Energy: 2.1345146843641
Energy: 2.1989853763533604
Energy: 1.757743336822204
Energy: 2.0131656327650966
Energy: 1.9441221737157937
Energy: 2.0131656327642036
Energy: 1.757743336824884
Energy: 2.0131656327659906
Energy: 1.7526420344275704
Energy: 2.0092334896100237
Energy: 1.7490635366858482
Energy: 2.0092334896135973
Energy: 1.7526420344257838
Energy: 2.0092334896135973
Energy: 1.7507227065758435
Energy: 2.2676821131911726
Energy: 1.7705594990513762
Energy: 2.267682113190279
Energy: 1.7507227065794173
Energy: 2.267682113189386
Energy: 1.87554993528201
Energy: 2.231260969010257
Energy: 1.75042774634514
Energy: 2.2312609690111502
Energy: 1.8755499352748624
Energy: 2.2312609690111502
Energy: 1.7714308876098745
Energy: 2.062807740056424
Energy: 1.75025045866415
Energy: 2.0628077400573175
Energy: 1.7714308876107683
Energy: 2.0628077400537435
Energy: 1.9742692675328504
Energy: 2.243105518607213
Energy: 1.8130359562491594
Energy: 2.2431055186107867
Energy: 1.9742692675364242
Energy: 2.2431055186107867
Energy: 1.7520642383363805
Energy: 2.2706649002591783
Energy: 1.7589136999737889
Energy: 2.270664900260072
Energy: 1.7520642383363805
Energy: 2.270664900260072
Energy: 1.7782885466809044
Energy: 2.1780935770662446
Energy: 1.7498367932087195
Energy: 2.1780935770626706
Energy: 1.7782885466746503
Energy: 2.1780935770626706
Energy: 1.772017717523335
Energy: 2.2339222926257887
Energy: 1.7490319791796018
Energy: 2.233922292621403
Energy: 1.7720177175242282
Energy: 2.2339222926222964

minimum gb energy = 1.748434128778661 eV
minimum distance =  2.39545363086697 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.271249108408892
Energy: 2.1359496950753663
Energy: 1.8588607578528489
Energy: 2.1359496950753663
Energy: 2.2712491084103
Energy: 2.1359496950753663
Energy: 1.9579226259819895
Energy: 2.0608219170749704
Energy: 1.6555640995456262
Energy: 2.0608219170742665
Energy: 1.9579226259819895
Energy: 2.0608219170742665
Energy: 1.7594823048865564
Energy: 2.0963548034263972
Energy: 1.8683244589120287
Energy: 2.0963548034278054
Energy: 1.7594823048858523
Energy: 2.0963548034278054
Energy: 2.200472180151914
Energy: 1.683930660226474
Energy: 1.6554475204475445
Energy: 1.683930660226474
Energy: 2.200472180152618
Energy: 1.6839306602271782
Energy: 1.7281009939247403
Energy: 1.7274760510803413
Energy: 1.7593524924028914
Energy: 1.7274760510803413
Energy: 1.7281009939240362
Energy: 1.7274760510803413
Energy: 1.9910282087998514
Energy: 2.0705005153531326
Energy: 1.6553087593918807
Energy: 2.0705005153524287
Energy: 1.9910282087998514
Energy: 2.0705005153531326
Energy: 1.6542972372761313
Energy: 2.132978192554008
Energy: 1.6545759652507386
Energy: 2.1329781925554165
Energy: 1.654297237275427
Energy: 2.1329781925547127
Energy: 2.0995590570598903
Energy: 2.063259953621888
Energy: 1.6968635570469728
Energy: 2.0632599536225924
Energy: 2.0995590570584817
Energy: 2.0632599536225924
Energy: 1.6837421638289922
Energy: 1.9082113579684001
Energy: 1.8953918183097815
Energy: 1.9082113579691042
Energy: 1.6837421638289922
Energy: 1.9082113579684001
Energy: 1.9967312066423581
Energy: 2.1397508633849798
Energy: 2.002032077878215
Energy: 2.1397508633849798
Energy: 1.9967312066416543
Energy: 2.1397508633849798
Energy: 1.9966585684872566
Energy: 2.133763419022663
Energy: 2.0014692217968024
Energy: 2.1337634190219585
Energy: 1.9966585684872566
Energy: 2.1337634190219585
Energy: 1.6840564295318263
Energy: 2.1247667167015414
Energy: 1.6958916789254472
Energy: 2.0631006045727585
Energy: 1.6840564295318263
Energy: 2.1472456862282647
Energy: 1.6841639228114709
Energy: 2.118657387834062
Energy: 1.895037775379015
Energy: 2.118657387834062
Energy: 1.6841639228114709
Energy: 2.118657387834062
Energy: 1.6573724054102694
Energy: 2.122888505309203
Energy: 1.6551928568119243
Energy: 2.122888505309908
Energy: 1.6573724054116779
Energy: 2.122888505309908
Energy: 1.9907762270352065
Energy: 2.0715579028545394
Energy: 1.6553407739263777
Energy: 2.0715579028545394
Energy: 1.9907762270352065
Energy: 2.0715579028552433
Energy: 1.7246084513023776
Energy: 2.1788931795797444
Energy: 1.6558255066237546
Energy: 2.125838251086898
Energy: 1.7246084513023776
Energy: 2.197840926770702
Energy: 1.9585983608145239
Energy: 2.170123783397054
Energy: 1.6959808097111428
Energy: 2.170123783397054
Energy: 1.9585983608159323
Energy: 2.170123783397054
Energy: 1.7570184389612455
Energy: 2.1227091374917633
Energy: 1.7913812814805208
Energy: 2.1227091374910585
Energy: 1.7570184389612455
Energy: 2.1227091374917633
Energy: 1.9581247576192542
Energy: 1.7904594620971859
Energy: 1.6552730158865951
Energy: 1.79045946209789
Energy: 1.9581247576185499
Energy: 1.79045946209789
Energy: 2.0014703487460794
Energy: 2.188105633423199
Energy: 1.8508999049279278
Energy: 2.181302352143221
Energy: 2.0014703487460794
Energy: 2.188105633423903
Energy: 1.9701046650056762
Energy: 2.061125977643421
Energy: 1.7048034479717076
Energy: 2.061125977643421
Energy: 1.9701046650049718
Energy: 2.061125977643421
Energy: 1.7569542939643918
Energy: 2.1227584612717183
Energy: 1.8682215723486633
Energy: 2.1227584612717183
Energy: 1.7569542939650962
Energy: 2.1227584612717183
Energy: 1.9649296316425053
Energy: 1.7732394095936954
Energy: 1.6548003084309306
Energy: 1.7732394095936954
Energy: 1.9649296316425053
Energy: 1.7732394095936954
Energy: 1.7246331712189562
Energy: 2.0353135624911385
Energy: 1.6839665205986334
Energy: 2.0824783310483843
Energy: 1.7246331712182519
Energy: 1.946870667855192
Energy: 1.840521696354224
Energy: 2.1220378318471136
Energy: 1.7245956166944936
Energy: 2.1220378318471136
Energy: 1.8405216963549285
Energy: 2.1220378318471136
Energy: 1.657341086000451
Energy: 1.9460194116404976
Energy: 1.6567684302095869
Energy: 1.9460194116412017
Energy: 1.6573410860011548
Energy: 1.9460194116412017
Energy: 1.7899263969873258
Energy: 2.0636719886964086
Energy: 1.7566096351677807
Energy: 2.063671988697113
Energy: 1.7899263969866217
Energy: 2.063671988697113
Energy: 1.683802744101534
Energy: 1.946765471976208
Energy: 1.9578066596632777
Energy: 1.9467654719769119
Energy: 1.6838027440994212
Energy: 1.9467654719776162
Energy: 1.9967310498919628
Energy: 2.107331462178365
Energy: 2.0021003863304045
Energy: 2.107331462178365
Energy: 1.9967310498905542
Energy: 2.107331462178365
Energy: 1.657891864964212
Energy: 2.0861243138234182
Energy: 2.0014450602117595
Energy: 2.0861243138227143
Energy: 1.6578918649656202
Energy: 2.0861243138234182
Energy: 1.684741294454245
Energy: 2.0640926176516063
Energy: 1.7567957941677403
Energy: 2.0640926176516063
Energy: 1.684741294453541
Energy: 2.0640926176516063
Energy: 1.6840825938414894
Energy: 2.121894679766856
Energy: 1.9584161121103585
Energy: 2.121894679766856
Energy: 1.6840825938414894
Energy: 2.121894679766856
Energy: 1.6550510157573133
Energy: 2.107437629331055
Energy: 1.724741803923069
Energy: 2.1074376293296466
Energy: 1.6550510157573133
Energy: 2.1074376293296466

minimum gb energy = 1.654297237275427 eV
minimum distance =  2.3323344406454 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.000912479392948
Energy: 2.0507593357600378
Energy: 1.7820293181105749
Energy: 2.0507593357600378
Energy: 2.0009124793924538
Energy: 2.050759335760532
Energy: 2.407097258720809
Energy: 1.6410956775181311
Energy: 1.5236135974567668
Energy: 1.6410956775181311
Energy: 2.407097258722292
Energy: 1.6410956775186254
Energy: 1.9524191413999525
Energy: 1.9750330929363442
Energy: 1.6714418786552023
Energy: 1.9750330929373325
Energy: 1.952419141397976
Energy: 1.9750330929373325
Energy: 2.2252491372337353
Energy: 1.5911067594818666
Energy: 1.523386091903278
Energy: 1.5911067594818666
Energy: 2.2252491372337353
Energy: 1.591106759482361
Energy: 1.6085121449650905
Energy: 1.9507531326929495
Energy: 1.5989734452102131
Energy: 1.9507531326929495
Energy: 1.6085121449650905
Energy: 1.9507531326929495
Energy: 2.0458256124173992
Energy: 1.8454355616353433
Energy: 1.523638248931148
Energy: 1.8454355616362867
Energy: 2.045825612418882
Energy: 1.8454355616367808
Energy: 1.5729761979134718
Energy: 1.860665842419693
Energy: 1.5282536611278894
Energy: 1.8606658424201872
Energy: 1.5729761979159427
Energy: 1.860665842419693
Energy: 1.9012366529689075
Energy: 1.8364974467679487
Energy: 1.5326440709377855
Energy: 1.8364974467669604
Energy: 1.901236652967425
Energy: 1.836497446765972
Energy: 1.5335342882601624
Energy: 1.9622750885804319
Energy: 1.6356726483138015
Energy: 1.9622750885814202
Energy: 1.533534288259174
Energy: 1.9622750885819145
Energy: 1.7634383437258367
Energy: 1.9438067035269977
Energy: 1.7526743494359258
Energy: 1.9438067035265034
Energy: 1.7634383437238599
Energy: 1.9438067035265034
Energy: 1.5238270019675597
Energy: 1.8821643918357567
Energy: 1.7530871013860954
Energy: 1.8821643918367452
Energy: 1.5238270019675597
Energy: 1.8821643918367452
Energy: 2.079474955983597
Energy: 1.968403308266249
Energy: 1.7914338224163504
Energy: 1.968403308266249
Energy: 2.0794749559816204
Energy: 1.9684033082657546
Energy: 1.7430858402236549
Energy: 1.9602673481564523
Energy: 1.984281020246336
Energy: 1.9602673481559585
Energy: 1.7430858402256315
Energy: 1.9602673481549695
Energy: 1.7599174903463397
Energy: 1.994912344365657
Energy: 2.0768633507766734
Energy: 1.9949123443646686
Energy: 1.7599174903488106
Energy: 1.9949123443646686
Energy: 1.759654876918642
Energy: 1.8965049606131479
Energy: 2.076621962932403
Energy: 1.8965049606146305
Energy: 1.7596548769191362
Energy: 1.8965049606146305
Energy: 1.7434264780249384
Energy: 1.9684579363313346
Energy: 1.7914479158211634
Energy: 1.9684579363293582
Energy: 1.743426478030375
Energy: 1.9684579363293582
Energy: 1.7433141110702748
Energy: 1.970276814019561
Energy: 1.9135659119723991
Energy: 1.9702768140205498
Energy: 1.743314111068792
Energy: 1.9702768140200555
Energy: 1.5279738767435493
Energy: 1.9815548222914585
Energy: 1.7528476696846018
Energy: 1.9815548222909642
Energy: 1.5279738767445377
Energy: 1.9815548222919526
Energy: 1.7601079706609344
Energy: 1.9685373799963093
Energy: 1.752751099099498
Energy: 1.9685373799963093
Energy: 1.7601079706609344
Energy: 1.9685373799968036
Energy: 1.5372173470330548
Energy: 1.9806030757022122
Energy: 1.5329324192477447
Energy: 1.9806030757027064
Energy: 1.5372173470320665
Energy: 1.9806030757017181
Energy: 1.7439079240886286
Energy: 1.8986574998511614
Energy: 1.6914087843801913
Energy: 1.8986574998511614
Energy: 1.7439079240901112
Energy: 1.8986574998506676
Energy: 1.5784264508122845
Energy: 1.9820717483401438
Energy: 1.5238193708211547
Energy: 1.9820717483426151
Energy: 1.578426450812779
Energy: 1.982071748343109
Energy: 2.044851028111919
Energy: 1.8915287806126024
Energy: 1.528455419648778
Energy: 1.8915287806126024
Energy: 2.044851028111919
Energy: 1.8915287806135908
Energy: 1.6129558385904454
Energy: 1.9803729114349542
Energy: 1.523567925956299
Energy: 1.9803729114339659
Energy: 1.612955838589502
Energy: 1.9803729114339659
Energy: 2.0521537319442955
Energy: 1.918473232116459
Energy: 1.6920528039789537
Energy: 1.918473232116953
Energy: 2.0521537319423637
Energy: 1.918473232116459
Energy: 1.7921357586175686
Energy: 1.9652322392383403
Energy: 1.5420744322208024
Energy: 1.9652322392368575
Energy: 1.7921357586165803
Energy: 1.9652322392368575
Energy: 2.406531273785639
Energy: 1.7121004961414383
Energy: 1.5282306968356245
Energy: 1.712100496139956
Energy: 2.406531273783662
Energy: 1.712100496139956
Energy: 1.8600067348963263
Energy: 1.982226518862628
Energy: 1.662432305231365
Energy: 1.9822265188631223
Energy: 1.8600067348978089
Energy: 1.9822265188636163
Energy: 2.0496394750001046
Energy: 1.8946209727865007
Energy: 1.6378711525388838
Energy: 1.8946209727874894
Energy: 2.0496394749996103
Energy: 1.8946209727874894
Energy: 1.7921454345547514
Energy: 1.9662327549925216
Energy: 1.5910234336094304
Energy: 1.9662327549915335
Energy: 1.7921454345547514
Energy: 1.9662327549920273
Energy: 2.0452515920330896
Energy: 1.588673677120449
Energy: 1.5276853589310986
Energy: 1.5886736771189665
Energy: 2.0452515920325958
Energy: 1.588673677119461
Energy: 1.6127195459255
Energy: 1.9726240742062313
Energy: 1.542617193010982
Energy: 1.9726240742062313
Energy: 1.6127195459245116
Energy: 1.972624074205737
Energy: 1.7436512635518302
Energy: 1.8689542131655772
Energy: 1.5372224028365358
Energy: 1.8689542131655772
Energy: 1.7436512635513362
Energy: 1.8689542131655772
Energy: 1.5782189762946461
Energy: 1.8766770789018268
Energy: 1.7609447445487796
Energy: 1.8766770789033094
Energy: 1.578218976296623
Energy: 1.8766770789033094
Energy: 1.7611959039196148
Energy: 1.8766861505144645
Energy: 1.5781644697689747
Energy: 1.8766861505134758
Energy: 1.761195903920109
Energy: 1.8766861505139703
Energy: 1.5370140016570608
Energy: 1.8691411122910324
Energy: 1.7435511058710955
Energy: 1.8691411122910324
Energy: 1.537014001660026
Energy: 1.8691411122900439
Energy: 1.5426510904409585
Energy: 1.9725540595120439
Energy: 1.612693327170338
Energy: 1.9725540595135265
Energy: 1.5426510904414525
Energy: 1.9725540595135265
Energy: 1.5276986509889638
Energy: 1.588650998678924
Energy: 2.044977213463533
Energy: 1.588650998678924
Energy: 1.5276986509879757
Energy: 1.5886509986784296
Energy: 1.5910234336114073
Energy: 1.9661020287177777
Energy: 1.7920833659879343
Energy: 1.9661020287177777
Energy: 1.59102343361289
Energy: 1.9661020287177777
Energy: 1.7435716765497309
Energy: 1.8945549349939892
Energy: 2.0484502317401505
Energy: 1.8945549349934947
Energy: 1.743571676546766
Energy: 1.8945549349939892
Energy: 1.6623808065059904
Energy: 1.982127888665416
Energy: 1.857267004745623
Energy: 1.982127888666404
Energy: 1.6623808065030252
Energy: 1.9821278886659097
Energy: 1.5281234532371626
Energy: 1.7123426778662592
Energy: 2.4065270560078553
Energy: 1.7123426778657649
Energy: 1.5281234532366683
Energy: 1.7123426778667532
Energy: 1.5421094977088867
Energy: 1.964920937523874
Energy: 1.7921070012984635
Energy: 1.964920937522886
Energy: 1.5421094977098753
Energy: 1.964920937523874
Energy: 1.743613110877977
Energy: 1.9184640849151195
Energy: 2.052126195457235
Energy: 1.9184640849141312
Energy: 1.7436131108789656
Energy: 1.9184640849146253
Energy: 1.5236388569625192
Energy: 1.980598430065995
Energy: 1.6128521820940391
Energy: 1.980598430063524
Energy: 1.523638856960048
Energy: 1.9805984300645123
Energy: 1.5284320818779278
Energy: 1.891528780611614
Energy: 2.0447614112535053
Energy: 1.8915287806121082
Energy: 1.528432081878916
Energy: 1.891528780611614
Energy: 1.5237248095355862
Energy: 1.9820457344833358
Energy: 1.578210592030607
Energy: 1.9820457344848181
Energy: 1.5237248095360805
Energy: 1.9820457344848181

minimum gb energy = 1.523386091903278 eV
minimum distance =  2.41036044751828 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.5522325349644153
Energy: 0.5533747769389679
Energy: 1.725317120386433
Energy: 0.5533747769393056
Energy: 0.5522325349650908
Energy: 0.5533747769389679
Energy: 0.5881581571930844
Energy: 1.5788063877802236
Energy: 1.3956755917441894
Energy: 1.5788063877805614
Energy: 0.58815815719376
Energy: 1.5788063877811995
Energy: 0.5522325349654287
Energy: 0.5533747769382921
Energy: 1.7253171203867335
Energy: 0.5533747769389679
Energy: 0.5522325349664046
Energy: 0.5533747769393056
Energy: 0.5881581571930844
Energy: 1.5788063877798857
Energy: 1.3956755917448653
Energy: 1.5788063877805614
Energy: 0.5881581571930844
Energy: 1.5788063877811995
Energy: 0.5522325349647531
Energy: 0.5533747769389679
Energy: 2.3176189218109564
Energy: 0.5533747769386299
Energy: 0.5522325349650908
Energy: 0.5533747769389679
Energy: 0.5881581571934221
Energy: 1.5788063877798857
Energy: 1.3956755917438517
Energy: 1.5788063877798857
Energy: 0.58815815719376
Energy: 1.5788063877802236
Energy: 0.5522325349657665
Energy: 0.5533747769382921
Energy: 2.6327930077008017
Energy: 0.5533747769393056
Energy: 0.5522325349664046
Energy: 0.5533747769389679

minimum gb energy = 0.5522325349644153 eV
minimum distance =  2.62510109798744 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.283353660360004
Energy: 1.974796834203571
Energy: 1.6681869208683893
Energy: 1.9747968341986677
Energy: 2.283353660357307
Energy: 1.9747968341981774
Energy: 2.6351365024714752
Energy: 1.6937273556956045
Energy: 1.518173991112432
Energy: 1.6937273557121937
Energy: 2.6351365024732734
Energy: 1.6937273557130925
Energy: 2.0787718668607
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Energy: 2.20916330864018
Energy: 1.4972819168701446
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Energy: 1.931324323281585
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Energy: 1.8156353839564279
Energy: 2.212711273024622
Energy: 1.815635383943434
Energy: 1.5503004398216744
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Energy: 1.9246472470470892
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Energy: 1.9246472470583667
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Energy: 1.903575161581533
Energy: 1.8285185675065543
Energy: 1.9035751615802254
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Energy: 1.9146402969957537
Energy: 1.549925408964515
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Energy: 2.121224708802091
Energy: 1.9226024726659867
Energy: 2.1216493786966506
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Energy: 1.5957342110315407
Energy: 1.8775402247952804
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Energy: 1.8775402247952804
Energy: 2.1701592455480876
Energy: 1.892278906039316
Energy: 1.499416032674707
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Energy: 1.8922789060541891
Energy: 2.4525872985842057
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Energy: 1.6605574862533896
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Energy: 1.7273278972839046
Energy: 1.5118536972689711
Energy: 1.727327897281698
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Energy: 1.8291145838032912
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Energy: 1.5538176961645729
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Energy: 1.8291145837983878
Energy: 1.9046270001198984
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Energy: 1.8998165553575623
Energy: 1.5777780391262373
Energy: 1.8998165553638546
Energy: 2.109620276854914
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Energy: 1.7896016313594219
Energy: 1.8470232481750979
Energy: 1.7778702586566932
Energy: 1.8470232481809001
Energy: 1.7896016313612197
Energy: 1.8470232481804911
Energy: 1.7951131884805882
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Energy: 1.6018075666398892
Energy: 1.7293795817205466
Energy: 1.7951131884720894
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Energy: 1.5798018947188255
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Energy: 1.7872261012217983
Energy: 1.9000627710286362
Energy: 1.8439507207286807
Energy: 1.9000627710142532
Energy: 1.7872261012208994
Energy: 1.9000627710124554
Energy: 1.5530237284439927
Energy: 1.7414385891485062
Energy: 2.086583560085093
Energy: 1.741438589151203
Energy: 1.553023728440397
Energy: 1.741438589151203
Energy: 1.5500915914977669
Energy: 1.8476743088898997
Energy: 1.8785349270690905
Energy: 1.8476743088916976
Energy: 1.5500915915004636
Energy: 1.8476743088925962
Energy: 1.5136392466537492
Energy: 1.7056486996106852
Energy: 2.042165401435023
Energy: 1.705648699608479
Energy: 1.5136392466542394
Energy: 1.70564869960758
Energy: 1.5450314633078817
Energy: 1.9305862020986015
Energy: 2.1642709924912484
Energy: 1.930586202104485
Energy: 1.5450314633100883
Energy: 1.9305862021048938
Energy: 1.497052715190211
Energy: 1.5615894837817212
Energy: 2.3710660504338152
Energy: 1.5615894837772264
Energy: 1.497052715192009
Energy: 1.5615894837866244
Energy: 1.5031878995210461
Energy: 1.942667393331222
Energy: 2.118402888774276
Energy: 1.942667393329424
Energy: 1.503187899530934
Energy: 1.9426673933281169
Energy: 1.5091373711063705
Energy: 1.5698089409694673
Energy: 2.2147914880765525
Energy: 1.5698089409843403
Energy: 1.5091373711045728
Energy: 1.5698089409852394
Energy: 1.5671744610456932
Energy: 1.930222418707065
Energy: 2.1651613805223033
Energy: 1.930222418705267
Energy: 1.5671744610443858
Energy: 1.930222418705267
Energy: 1.505753656557593
Energy: 1.5658347235782002
Energy: 2.2840008163901238
Energy: 1.5658347235795076
Energy: 1.5057536565566942
Energy: 1.5658347235790993
Energy: 1.55860339031417
Energy: 1.7819304823264182
Energy: 1.8784255524578295
Energy: 1.781930482327317
Energy: 1.5586033903150691
Energy: 1.7819304823268265
Energy: 1.574370763591896
Energy: 1.741502998895334
Energy: 1.9620237155517564
Energy: 1.741502998890431
Energy: 1.5743707635847046
Energy: 1.7415029988899404
Energy: 1.8125314317845467
Energy: 1.8464200700592435
Energy: 1.843981317329186
Energy: 1.8464200700601423
Energy: 1.8125314317836474
Energy: 1.846420070059734

minimum gb energy = 1.4953267428887322 eV
minimum distance =  2.35279718914726 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.072835119387401
Energy: 2.1001503861161503
Energy: 1.839065019604178
Energy: 2.1001503861149167
Energy: 2.0728351193880177
Energy: 2.1001503861149167
Energy: 2.380070847669631
Energy: 1.6507598340577314
Energy: 1.6312243783471947
Energy: 1.6507598340571146
Energy: 2.3800708476690136
Energy: 1.6507598340577314
Energy: 1.988120925564737
Energy: 2.0576946463183923
Energy: 1.8010377107472737
Energy: 2.057694646319009
Energy: 1.988120925565971
Energy: 2.0576946463183923
Energy: 1.9017250371269379
Energy: 1.6088284611024735
Energy: 1.6314447794202858
Energy: 1.6088284611024735
Energy: 1.9017250371263212
Energy: 1.6088284611030903
Energy: 1.6879207440903798
Energy: 1.9100319126836196
Energy: 1.7025144804431656
Energy: 1.910031912681769
Energy: 1.6879207440909965
Energy: 1.9100319126823857
Energy: 1.9272017129520573
Energy: 1.9054395859940267
Energy: 1.635796553975654
Energy: 1.9054395859934103
Energy: 1.9272017129545251
Energy: 1.9054395859940267
Energy: 1.635052514506117
Energy: 1.924168884419027
Energy: 1.769731346973075
Energy: 1.9241688844202607
Energy: 1.635052514510435
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Energy: 1.6233880601037356
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Energy: 1.6965558748253105
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Energy: 1.6253960148383801
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Energy: 1.6750452629271797
Energy: 2.030236130294074
Energy: 1.9637613597446106
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Energy: 1.6750452629271797
Energy: 2.0302361302922236
Energy: 1.6056267041870937
Energy: 1.7684952013779942
Energy: 2.1799711778825213
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Energy: 1.6227893508345268
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Energy: 2.0868052114071935
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Energy: 1.6227893508332933
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Energy: 1.6254350642152433
Energy: 1.9946777513468563
Energy: 2.1525546958974493
Energy: 1.9946777513474734
Energy: 1.6254350642140096
Energy: 1.9946777513468563
Energy: 1.6054027299658165
Energy: 2.0301052556200987
Energy: 1.9633523162872684
Energy: 2.0301052556200987
Energy: 1.6054027299652556
Energy: 2.030105255619482
Energy: 1.6052669070207615
Energy: 1.9625395961126542
Energy: 1.9020247189963562
Energy: 1.962539596113888
Energy: 1.6052669070201446
Energy: 1.962539596113888
Energy: 1.6141289476898821
Energy: 2.0843450687751695
Energy: 1.6951953121328163
Energy: 2.084345068775786
Energy: 1.6141289476874146
Energy: 2.0843450687764027
Energy: 1.6143431445685386
Energy: 1.9055246152238832
Energy: 1.9146621269328457
Energy: 1.9055246152232665
Energy: 1.614343144571006
Energy: 1.9055246152238832
Energy: 1.913678889671692
Energy: 2.026192995416295
Energy: 1.635431882695865
Energy: 2.0261929954156783
Energy: 1.9136788896723087
Energy: 2.0261929954156783
Energy: 1.9208980526541324
Energy: 2.04897793030142
Energy: 1.6183640986372099
Energy: 2.0489779302995696
Energy: 1.9208980526553658
Energy: 2.048977930300803
Energy: 1.9487995700140377
Energy: 1.9454187726997547
Energy: 1.6371695208585184
Energy: 1.9454187727009882
Energy: 1.9487995700091028
Energy: 1.9454187727003718
Energy: 1.948563443325274
Energy: 2.054283568279841
Energy: 1.8438335072948582
Energy: 2.0542835682816913
Energy: 1.948563443325891
Energy: 2.0542835682810745
Energy: 2.1808663928871903
Energy: 2.0262101507327617
Energy: 1.6120530724404543
Energy: 2.0262101507346126
Energy: 2.1808663928884235
Energy: 2.0262101507333785
Energy: 2.179893317185725
Energy: 2.026149928918057
Energy: 1.6120177270504195
Energy: 2.0261499289168237
Energy: 2.179893317182641
Energy: 2.02614992891744
Energy: 1.948519488926813
Energy: 2.0541936057982424
Energy: 1.7626875500072108
Energy: 2.0541936057970083
Energy: 1.94851948892743
Energy: 2.0541936057970083
Energy: 1.9487622909892075
Energy: 1.945315242387895
Energy: 1.6371564719957836
Energy: 1.9453152423885116
Energy: 1.948762290987357
Energy: 1.9453152423903624
Energy: 1.9209074386725877
Energy: 2.0489824567830017
Energy: 1.6183399581718803
Energy: 2.048982456784236
Energy: 1.9209074386701206
Energy: 2.048982456783619
Energy: 1.9152836415221983
Energy: 2.0261774468811833
Energy: 1.6353817354917315
Energy: 2.0261774468817997
Energy: 1.9152836415228154
Energy: 2.026177446882417
Energy: 1.614384248323173
Energy: 1.9055322671721056
Energy: 1.755694771339988
Energy: 1.9055322671714885
Energy: 1.6143842483256403
Energy: 1.9055322671708714
Energy: 1.6142662128084668
Energy: 2.08476400800581
Energy: 1.6951250223533214
Energy: 2.084764008004576
Energy: 1.614266212807233
Energy: 2.084764008004576
Energy: 1.6053867797580643
Energy: 1.962539596113271
Energy: 1.902036194951733
Energy: 1.962539596113888
Energy: 1.6053867797568304
Energy: 1.962539596113888
Energy: 1.6053776388160381
Energy: 2.030082847269094
Energy: 1.963322582072567
Energy: 2.030082847269711
Energy: 1.6053776388178889
Energy: 2.030082847269711
Energy: 1.6255009850151734
Energy: 1.994615812120255
Energy: 2.0035683394186266
Energy: 1.994615812120872
Energy: 1.6255009850151734
Energy: 1.994615812120872
Energy: 1.6227811709150497
Energy: 2.091768679506012
Energy: 2.086774655489478
Energy: 2.091768679505395
Energy: 1.6227811709169004
Energy: 2.091768679506012
Energy: 1.6056981469552274
Energy: 1.7684909938683446
Energy: 2.1800165782170433
Energy: 1.7684909938664939
Energy: 1.6056981469521432
Energy: 1.768490993867111
Energy: 1.6750452629277965
Energy: 2.030232642393197
Energy: 1.9635732760991065
Energy: 2.030232642391963
Energy: 1.6750452629271797
Energy: 2.030232642391346
Energy: 1.625198769940405
Energy: 1.7645307745355079
Energy: 1.7847618148472628
Energy: 1.7645307745361247
Energy: 1.6251987699397878
Energy: 1.7645307745361247
Energy: 1.6233631926519505
Energy: 1.9029917111569148
Energy: 1.6965540177455085
Energy: 1.9029917111569148
Energy: 1.6233631926507168
Energy: 1.9029917111575316
Energy: 1.6349990704509587
Energy: 1.9239485764716684
Energy: 1.7697749186916254
Energy: 1.923948576472285
Energy: 1.6349990704521924
Energy: 1.923948576472285

minimum gb energy = 1.6052669070201446 eV
minimum distance =  2.31759596047969 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.1804759050606957
Energy: 2.2003487765825223
Energy: 1.9503023817957459
Energy: 2.2003487765825223
Energy: 2.1804759050591804
Energy: 2.20034877658328
Energy: 2.065397258209084
Energy: 1.749784471532803
Energy: 1.7019318610027667
Energy: 1.7497844715335604
Energy: 2.065397258208326
Energy: 1.749784471532803
Energy: 1.8042420056075332
Energy: 2.038978837967134
Energy: 1.8824361267533323
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Energy: 1.8042420056075332
Energy: 2.038978837967134
Energy: 2.0995596736577533
Energy: 1.6716753090112597
Energy: 1.7032857552041327
Energy: 1.6716753090105019
Energy: 2.0995596736577533
Energy: 1.6716753090105019
Energy: 1.707445706590817
Energy: 2.057531321986246
Energy: 1.8096638543215517
Energy: 2.0575313219847304
Energy: 1.7074457065900592
Energy: 2.0575313219854885
Energy: 1.6992430693375906
Energy: 2.041468303838053
Energy: 1.7076841179687
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Energy: 1.6992430693360747
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Energy: 1.7009667026284407
Energy: 1.8631271867209016
Energy: 1.898208066118722
Energy: 1.863127186720144
Energy: 1.7009667026276831
Energy: 1.863127186720144
Energy: 1.7905288917109616
Energy: 2.024780070735607
Energy: 1.8044321673857504
Energy: 2.024780070735607
Energy: 1.7905288917124773
Energy: 2.024780070735607
Energy: 1.670956564658793
Energy: 1.8709411276768406
Energy: 2.033782447946059
Energy: 1.8709411276768406
Energy: 1.670956564658793
Energy: 1.8709411276775982
Energy: 1.6940942086908217
Energy: 2.143348366346539
Energy: 2.1620207663505675
Energy: 2.1433483663480546
Energy: 1.6940942086900643
Energy: 2.1433483663480546
Energy: 1.7007338701650487
Energy: 2.1561389221095215
Energy: 1.8978901071618133
Energy: 2.1561389221102796
Energy: 1.7007338701658066
Energy: 2.1561389221102796
Energy: 1.6721456278664721
Energy: 2.0250873391224045
Energy: 1.8236217364870253
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Energy: 1.6721456278664721
Energy: 2.025087339121647
Energy: 1.6708258974214925
Energy: 1.67102927308958
Energy: 1.9885720437242116
Energy: 1.6710292730880645
Energy: 1.6708258974222505
Energy: 1.671029273088822
Energy: 1.6900885016677651
Energy: 2.1539008634083485
Energy: 1.7071887181934755
Energy: 2.1539008634083485
Energy: 1.6900885016677651
Energy: 2.1539008634083485
Energy: 1.6899724695431642
Energy: 2.0369783701430526
Energy: 1.6831283601731466
Energy: 2.0369783701422954
Energy: 1.6899724695424065
Energy: 2.0369783701422954
Energy: 2.0781836711926815
Energy: 1.8696957740498976
Energy: 1.7035744117056784
Energy: 1.8696957740498976
Energy: 2.0781836711926815
Energy: 1.8696957740498976
Energy: 2.08342006442731
Energy: 2.024953050150841
Energy: 1.989123632036503
Energy: 2.024953050151599
Energy: 2.08342006442731
Energy: 2.0249530501523565
Energy: 2.1524554441510757
Energy: 2.145021008888813
Energy: 1.6788712453774335
Energy: 2.145021008889571
Energy: 2.1524554441510757
Energy: 2.145021008888813
Energy: 2.1663502248479425
Energy: 2.144068469358157
Energy: 1.6784637220030865
Energy: 2.144068469355884
Energy: 2.1663502248487005
Energy: 2.144068469355884
Energy: 2.0776404479283315
Energy: 2.154007878114824
Energy: 1.7053896201675571
Energy: 2.154007878114824
Energy: 2.077640447929089
Energy: 2.154007878114824
Energy: 2.0833125147593328
Energy: 2.239467387033606
Energy: 1.701981657874258
Energy: 2.239467387033606
Energy: 2.083312514758575
Energy: 2.2394673870343635
Energy: 1.6900283116617625
Energy: 2.0367637646588443
Energy: 1.6842160113445028
Energy: 2.0367637646588443
Energy: 1.6900283116617625
Energy: 2.0367637646588443
Energy: 1.69006691005804
Energy: 2.1516859539301754
Energy: 1.6901602693110518
Energy: 2.1516859539294177
Energy: 1.69006691005804
Energy: 2.1516859539294177
Energy: 1.6737187488816336
Energy: 2.114968203256743
Energy: 1.6902965032612374
Energy: 2.114968203255986
Energy: 1.6737187488816336
Energy: 2.114968203255986
Energy: 1.6706676482428677
Energy: 2.2353733341247657
Energy: 1.822843087380736
Energy: 2.2353733341247657
Energy: 1.6706676482436256
Energy: 2.2353733341247657
Energy: 1.7000985111463236
Energy: 2.1560465993731044
Energy: 2.065652812929839
Energy: 2.1560465993723468
Energy: 1.7000985111463236
Energy: 2.1560465993723468
Energy: 1.6939772324696494
Energy: 2.148914646572353
Energy: 2.160438060238733
Energy: 2.1489146465715954
Energy: 1.6939772324688918
Energy: 2.148914646572353
Energy: 1.679389755402526
Energy: 2.1498264112098964
Energy: 2.000147031469605
Energy: 2.1498264112106544
Energy: 1.6793897554010109
Energy: 2.1498264112098964
Energy: 1.7877941843624794
Energy: 2.026775661447273
Energy: 1.8225535788399307
Energy: 2.026775661448031
Energy: 1.7877941843639948
Energy: 2.026775661448031
Energy: 1.7002393961029623
Energy: 1.869491037439932
Energy: 1.896984054196034
Energy: 1.869491037439932
Energy: 1.7002393961022049
Energy: 1.869491037439932
Energy: 1.6982390120389577
Energy: 2.0369509365733838
Energy: 1.6896939497972445
Energy: 2.0369509365733838
Energy: 1.6982390120382
Energy: 2.0369509365733838

minimum gb energy = 1.6706676482428677 eV
minimum distance =  2.34935822938273 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.923114400058261
Energy: 2.2074342202869426
Energy: 2.2995405777849807
Energy: 2.2074342202869426
Energy: 1.92311440005728
Energy: 2.2074342202869426
Energy: 2.0899875528535
Energy: 1.8517392137449966
Energy: 1.7791814100289738
Energy: 1.8517392137430344
Energy: 2.089987552856443
Energy: 1.8517392137430344
Energy: 1.7849314199325454
Energy: 2.2158481606035454
Energy: 1.980644037106548
Energy: 2.215848160604527
Energy: 1.7849314199325454
Energy: 2.215848160604527
Energy: 1.7825283191226555
Energy: 1.734331182191491
Energy: 1.7801877796875964
Energy: 1.7343311821905099
Energy: 1.7825283191236365
Energy: 1.7343311821905099
Energy: 1.780191846653142
Energy: 1.7646279915562486
Energy: 1.9547744852599325
Energy: 1.7646279915562486
Energy: 1.780191846653142
Energy: 1.7646279915572296
Energy: 1.7720967584077265
Energy: 2.200932894482893
Energy: 1.7872255693657424
Energy: 2.200932894484856
Energy: 1.7720967584067455
Energy: 2.200932894484856
Energy: 1.7340735588735923
Energy: 1.9938026062912653
Energy: 2.0904382394545404
Energy: 1.9938026062932273
Energy: 1.7340735588735923
Energy: 1.9938026062932273
Energy: 1.7646048671457402
Energy: 2.1961887533290656
Energy: 1.9286586464833337
Energy: 2.1961887533271036
Energy: 1.7646048671467212
Energy: 2.1961887533271036
Energy: 1.780581625516323
Energy: 1.851317701184403
Energy: 1.9714618508491601
Energy: 1.8513177011863653
Energy: 1.780581625516323
Energy: 1.8513177011863653
Energy: 1.757690045071154
Energy: 2.2006647036575884
Energy: 1.7870316212506838
Energy: 2.2006647036575884
Energy: 1.7576900450701727
Energy: 2.20066470365857
Energy: 1.7341234106023844
Energy: 1.7345937016464708
Energy: 1.757162831066497
Energy: 1.7345937016474517
Energy: 1.7341234106014032
Energy: 1.7345937016474517
Energy: 1.7725400372730309
Energy: 2.0066426786561293
Energy: 1.7796195152192493
Energy: 2.0066426786531855
Energy: 1.77254003727205
Energy: 2.0066426786541665
Energy: 1.7721145362791806
Energy: 2.258865329052601
Energy: 1.8512425095520963
Energy: 2.258865329052601
Energy: 1.7721145362791806
Energy: 2.258865329052601
Energy: 2.323282080987504
Energy: 2.001949388535504
Energy: 1.7513446621821953
Energy: 2.001949388533542
Energy: 2.323282080987504
Energy: 2.001949388533542
Energy: 2.3445663783993442
Energy: 2.2391302731596996
Energy: 1.7475811005423125
Energy: 2.2391302731587186
Energy: 2.3445663784003252
Energy: 2.2391302731587186
Energy: 1.7723441464133352
Energy: 2.2580227128690296
Energy: 1.7796945479805117
Energy: 2.2580227128690296
Energy: 1.772344146411373
Energy: 2.2580227128680486
Energy: 1.7722329044054514
Energy: 2.007580195494657
Energy: 1.7339898853108147
Energy: 2.007580195495638
Energy: 1.7722329044074137
Energy: 2.007580195495638
Energy: 1.757065861752905
Energy: 2.0421317568120676
Energy: 1.757077781212536
Energy: 2.0421317568120676
Energy: 1.7570658617519237
Energy: 2.0421317568110866
Energy: 1.7339892586359944
Energy: 2.007701928419337
Energy: 1.7722453950413126
Energy: 2.007701928419337
Energy: 1.7339892586379566
Energy: 2.007701928419337
Energy: 1.7798397969534592
Energy: 2.2583597917240725
Energy: 1.7721419465407686
Energy: 2.2583597917230915
Energy: 1.7798397969534592
Energy: 2.2583597917221105
Energy: 1.7476643271471661
Energy: 2.239095339095199
Energy: 2.3445386684487395
Energy: 2.2390953390942174
Energy: 1.7476643271481471
Energy: 2.2390953390942174
Energy: 1.7515322842140137
Energy: 1.996007071686648
Energy: 2.323249010540093
Energy: 1.996007071686648
Energy: 1.7515322842149947
Energy: 1.996007071686648
Energy: 1.7930019064984486
Energy: 2.25889355286769
Energy: 1.7725454662474447
Energy: 2.2588935528667085
Energy: 1.7930019064974674
Energy: 2.25889355286769
Energy: 1.779616515414063
Energy: 2.0066486676478683
Energy: 1.7726182033966673
Energy: 2.006648667646887
Energy: 1.779616515415044
Energy: 2.006648667646887

minimum gb energy = 1.7339892586359944 eV
minimum distance =  2.31088444895861 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.8360853593463748
Energy: 1.8371854639346745
Energy: 1.7968202021020758
Energy: 1.8371854639346745
Energy: 1.8360853593463748
Energy: 1.8371854639346745
Energy: 1.8908602064568623
Energy: 1.7766338319667088
Energy: 1.778339872323797
Energy: 1.7766338319667088
Energy: 1.8908602064568623
Energy: 1.7766338319667088
Energy: 1.7930760703636162
Energy: 1.808495458774933
Energy: 1.817329693883288
Energy: 1.808495458774933
Energy: 1.7930760703650035
Energy: 1.808495458774933
Energy: 1.8649869565642996
Energy: 1.8087449806714604
Energy: 1.7789124043372875
Energy: 1.8087449806700728
Energy: 1.8649869565642996
Energy: 1.8087449806714604
Energy: 1.7735078914477518
Energy: 1.773959067474215
Energy: 1.8180867780421441
Energy: 1.773959067474215
Energy: 1.7735078914477518
Energy: 1.773959067474215
Energy: 1.8053062323057771
Energy: 1.837143262035699
Energy: 1.8362013977157086
Energy: 1.837143262035699
Energy: 1.8053062323057771
Energy: 1.837143262035699
Energy: 1.796524669326825
Energy: 2.011693102704011
Energy: 1.809465291658394
Energy: 2.011693102704011
Energy: 1.796524669326825
Energy: 2.011693102704011
Energy: 1.817757443199239
Energy: 2.209571108773171
Energy: 1.779122937150221
Energy: 2.209571108773171
Energy: 1.817757443199239
Energy: 2.209571108773171
Energy: 1.7736302711222824
Energy: 1.7749140371111618
Energy: 1.8640332646883875
Energy: 1.7749140371111618
Energy: 1.7736302711222824
Energy: 1.7749140371111618
Energy: 1.8680369342448855
Energy: 1.7764270873222647
Energy: 1.7978440787195609
Energy: 1.7764270873236523
Energy: 1.8680369342448855
Energy: 1.7764270873222647
Energy: 1.8360724562120379
Energy: 2.4010400013369617
Energy: 1.7976961712323316
Energy: 2.4010400013369617
Energy: 1.8360724562120379
Energy: 2.4010400013369617
Energy: 1.8167368273050009
Energy: 1.7996810185872476
Energy: 1.805616496610127
Energy: 1.7996810185872476
Energy: 1.8167368273063884
Energy: 1.7996810185872476
Energy: 1.7736724168726734
Energy: 2.211507993544308
Energy: 1.8181263793105198
Energy: 2.211507993544308
Energy: 1.7736724168726734
Energy: 2.211507993544308
Energy: 1.7876013703096516
Energy: 1.7744960386826953
Energy: 1.8170179787483094
Energy: 1.7744960386826953
Energy: 1.7876013703110392
Energy: 1.7744960386826953
Energy: 1.7740096919719899
Energy: 2.171614526205214
Energy: 1.8682360851943414
Energy: 2.171614526203827
Energy: 1.7740096919733774
Energy: 2.171614526205214
Energy: 1.7956846924342256
Energy: 2.4200862398129606
Energy: 1.8685157525084084
Energy: 2.4200862398115732
Energy: 1.7956846924342256
Energy: 2.4200862398115732
Energy: 1.8057917175879252
Energy: 1.7776903054119493
Energy: 1.816430119199463
Energy: 1.7776903054119493
Energy: 1.8057917175893128
Energy: 1.7776903054119493

minimum gb energy = 1.7735078914477518 eV
minimum distance =  2.4351789554606 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.3424008997693297
Energy: 2.5035011117423935
Energy: 1.969486837303751
Energy: 2.5035011117418575
Energy: 2.3424008997693297
Energy: 2.5035011117423935
Energy: 2.1781158329454295
Energy: 1.8044567700519611
Energy: 1.8039570642015206
Energy: 1.8044567700535685
Energy: 2.178115832944894
Energy: 1.8044567700535685
Energy: 1.817972031661254
Energy: 1.9119276553861129
Energy: 1.8638603601414991
Energy: 1.9119276553871847
Energy: 1.81797203166179
Energy: 1.9119276553866487
Energy: 2.0769543756902418
Energy: 1.794393277607648
Energy: 1.931023749300475
Energy: 1.7943932776087195
Energy: 2.0769543756886346
Energy: 1.7943932776087195
Energy: 1.8040112057414421
Energy: 1.8542847998227368
Energy: 2.192185320538106
Energy: 1.8542847998216652
Energy: 1.804011205741978
Energy: 1.854284799822201
Energy: 1.9552645554117223
Energy: 1.8107939352427225
Energy: 1.9833327110899603
Energy: 1.8107939352416509
Energy: 1.955264555407436
Energy: 1.8107939352373643
Energy: 1.798921867544385
Energy: 1.9257951795276698
Energy: 2.168250506634474
Energy: 1.9257951795282056
Energy: 1.7989218675454564
Energy: 1.9257951795276698
Energy: 2.1252173089060493
Energy: 1.7898420916447402
Energy: 1.7982033705343508
Energy: 1.7898420916436686
Energy: 2.1252173089055133
Energy: 1.7898420916442044
Energy: 1.9807168659752654
Energy: 1.8152363154892783
Energy: 1.8049676176797838
Energy: 1.8152363154946365
Energy: 1.9807168659752654
Energy: 1.8152363154924933
Energy: 2.3349490687639887
Energy: 1.852378983617736
Energy: 1.800570387759686
Energy: 1.8523789836166642
Energy: 2.3349490687634527
Energy: 1.8717215637559816
Energy: 1.9281029111272963
Energy: 1.8157751259630899
Energy: 1.9112088191481298
Energy: 1.815775125964162
Energy: 1.9281029111294394
Energy: 1.815775125963626
Energy: 1.8074300108375332
Energy: 1.804350941825704
Energy: 1.8240070624531053
Energy: 1.8043509418251682
Energy: 1.8074300108369972
Energy: 1.8043509418267756
Energy: 1.8074581823576525
Energy: 1.7985161959822897
Energy: 2.35877422623179
Energy: 1.7985161959801466
Energy: 1.8074581823576525
Energy: 1.7985161959801466
Energy: 1.8108576148805169
Energy: 2.5178122087309553
Energy: 2.36056813601994
Energy: 2.517812208732027
Energy: 1.810857614878909
Energy: 2.517812208732027
Energy: 1.816935221712387
Energy: 2.373190814636606
Energy: 1.9100420253500743
Energy: 2.373190814636606
Energy: 1.816935221716138
Energy: 2.373190814636606
Energy: 1.9292118256860917
Energy: 2.1663673314730145
Energy: 1.8237489588461218
Energy: 2.1663673314730145
Energy: 1.9292118256834132
Energy: 2.280640483539006
Energy: 1.927918210177625
Energy: 1.789847161642124
Energy: 1.8117146308819467
Energy: 1.7898471616431957
Energy: 1.9279182101765533
Energy: 1.7898471616442673
Energy: 2.3198629405490245
Energy: 2.062290961734227
Energy: 1.8117327037094164
Energy: 2.062290961730476
Energy: 2.3198629405484885
Energy: 2.0622909617315477
Energy: 2.2457717781555337
Energy: 2.1847858148171415
Energy: 1.792172841343246
Energy: 2.184785814818749
Energy: 2.2457717781528546
Energy: 2.184785814816606
Energy: 1.7949214561510072
Energy: 1.8525776498196138
Energy: 1.7951322617875507
Energy: 1.8906109144670462
Energy: 1.7949214561510072
Energy: 1.8525776498249715
Energy: 1.79235881402798
Energy: 2.1846036356828473
Energy: 2.320880518328203
Energy: 2.1846036356839194
Energy: 1.7923588140295874
Energy: 2.1846036356844545
Energy: 1.8167446664209
Energy: 2.0624777601815354
Energy: 2.3199529820092843
Energy: 2.0624777601793918
Energy: 1.8167446664187568
Energy: 2.0624777601852857
Energy: 1.8035594220569173
Energy: 1.7902064558799935
Energy: 1.9275536386913137
Energy: 1.7902064558794577
Energy: 1.8035594220537026
Energy: 1.790206455881065
Energy: 1.8239087420096223
Energy: 2.1625568082060873
Energy: 1.929320083995877
Energy: 2.1625568082044806
Energy: 1.8239087420090865
Energy: 2.162556808205016
Energy: 1.9100721977740305
Energy: 2.373250220860814
Energy: 1.8233288810643407
Energy: 2.3732502208602786
Energy: 1.910072197775102
Energy: 2.3732502208602786
Energy: 2.360605881278156
Energy: 2.5178352013121477
Energy: 1.810862613464528
Energy: 2.517835201313219
Energy: 2.3606058812792274
Energy: 2.517835201313219
Energy: 2.3586410032884304
Energy: 1.7984345883901192
Energy: 1.8074924304106639
Energy: 1.798434588390655
Energy: 2.358641003287359
Energy: 1.7984345883901192
Energy: 1.824062816920411
Energy: 1.8042958352258927
Energy: 1.8077166060205647
Energy: 1.8042958352264282
Energy: 1.8240628169193394
Energy: 1.8042958352258927
Energy: 1.911496696791287
Energy: 1.8154991638592555
Energy: 1.9281624608021588
Energy: 1.8154991638587197
Energy: 1.911496696790751
Energy: 1.8154991638592555
Energy: 1.8003719405716665
Energy: 1.885392634303452
Energy: 2.3347023305825827
Energy: 1.8853926343029161
Energy: 1.800371940570595
Energy: 1.8853926343023806
Energy: 1.8066627105520905
Energy: 1.814893081614383
Energy: 1.9809122712900846
Energy: 1.8148930816149187
Energy: 1.8066627105494113
Energy: 1.8148930816181337
Energy: 1.797473582908664
Energy: 1.7900590835612629
Energy: 2.125241409588097
Energy: 1.790059083560191
Energy: 1.7974735829097357
Energy: 1.7900590835612629
Energy: 2.1764676912084893
Energy: 1.9257559729760223
Energy: 1.7988847138130393
Energy: 1.9257559729760223
Energy: 2.176467691204203
Energy: 1.9257559729749507
Energy: 1.9833460291908365
Energy: 1.810810386979821
Energy: 1.9551714312661048
Energy: 1.810810386979821
Energy: 1.9833460291908365
Energy: 1.8108103869792853
Energy: 2.1546583158341086
Energy: 1.854284799822201
Energy: 1.8039794661860806
Energy: 1.8542847998205934
Energy: 2.154658315836252
Energy: 1.8542847998205934
Energy: 1.931011462645007
Energy: 1.7941454574793059
Energy: 2.0769821800193067
Energy: 1.7941454574782345
Energy: 1.9310114626466144
Energy: 1.7941454574787703
Energy: 1.871126815406597
Energy: 1.9101879075216788
Energy: 1.8179183660813565
Energy: 1.9101879075211428
Energy: 1.871126815406597
Energy: 1.910187907520607
Energy: 1.803949889036834
Energy: 1.8044998937494943
Energy: 2.1780946350770134
Energy: 1.80449989375003
Energy: 1.8039498890330834
Energy: 1.804499893750566
Energy: 1.8919069082696078
Energy: 2.503501111743465
Energy: 2.342400899766651
Energy: 2.5035011117429296
Energy: 1.891906908282467
Energy: 2.5035011117423935
Energy: 1.803957064203664
Energy: 1.8044567700551757
Energy: 2.178115832944358
Energy: 1.8044567700535685
Energy: 1.8039570642020568
Energy: 1.8044567700546397
Energy: 1.8638603601452497
Energy: 1.911927655389279
Energy: 1.8179720316628618
Energy: 1.911927655389815
Energy: 1.8638603601436423
Energy: 1.9119276553887432
Energy: 1.931023749302618
Energy: 1.7943932776108626
Energy: 2.0769543756891706
Energy: 1.7943932776087195
Energy: 1.9310237493036893
Energy: 1.7943932776097913
Energy: 2.1921853205348913
Energy: 1.8542847998211294
Energy: 1.8040112057382276
Energy: 1.8542847998216652
Energy: 2.1921853205348913
Energy: 1.8542847998216652

minimum gb energy = 1.7898420916436686 eV
minimum distance =  2.38440009470367 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.188154427633298
Energy: 2.5361495748933756
Energy: 2.465352863968263
Energy: 2.536149574896865
Energy: 2.188154427632426
Energy: 2.5361495748959926
Energy: 2.0533677055924477
Energy: 1.8046291090088953
Energy: 1.8053167801012977
Energy: 1.804629109003661
Energy: 2.0533677055924477
Energy: 1.804629109003661
Energy: 1.8335688656958509
Energy: 1.8883864128408157
Energy: 1.820143007727174
Energy: 1.8883864128338361
Energy: 1.8335688656993405
Energy: 1.8883864128364531
Energy: 1.9385286686131205
Energy: 1.9020103980385838
Energy: 2.1064821319442926
Energy: 1.902010398039456
Energy: 1.9385286686183547
Energy: 1.9020103980385838
Energy: 1.7702382873013423
Energy: 1.8558453993770962
Energy: 1.989522841791304
Energy: 1.8558453993753514
Energy: 1.7702382872978528
Energy: 1.8558453993762236
Energy: 1.9651454775974373
Energy: 1.901210375947553
Energy: 2.1065104909727395
Energy: 1.9012103759492975
Energy: 1.9651454776009267
Energy: 1.9012103759492975
Energy: 1.8320515423294657
Energy: 1.8875534503524494
Energy: 1.8120976963441275
Energy: 1.8875534503480873
Energy: 1.832051542332955
Energy: 1.8875534503480873
Energy: 1.7574494011806632
Energy: 1.884454219923821
Energy: 1.8034431886507711
Energy: 1.8844542199194592
Energy: 1.7574494011841528
Energy: 1.8844542199185867
Energy: 1.9986764518197182
Energy: 2.437364150345394
Energy: 1.8137698758258176
Energy: 2.4373641503462666
Energy: 1.9986764518214633
Energy: 2.4373641503462666
Energy: 2.089613285631075
Energy: 1.8065029749402677
Energy: 1.8111644538735678
Energy: 1.8065029749516084
Energy: 2.0896132856302025
Energy: 1.8065029749516084
Energy: 1.8321979026273003
Energy: 1.7596386703538216
Energy: 2.1056212324131613
Energy: 1.7596386703529494
Energy: 1.8321979026273003
Energy: 1.7596386703503322
Energy: 1.8611475577306862
Energy: 1.9004961137055598
Energy: 2.1003239764067887
Energy: 1.9004961137003256
Energy: 1.8611475577298138
Energy: 1.9004961136994531
Energy: 1.7783000353988088
Energy: 1.900824936705034
Energy: 2.1065566211676154
Energy: 1.9008249366997998
Energy: 1.7783000353961915
Energy: 1.9008249366997998
Energy: 2.143719158922739
Energy: 1.8242362391678728
Energy: 2.1006150239813075
Energy: 1.8242362391678728
Energy: 2.143719158922739
Energy: 1.8242362391670002
Energy: 1.8291579195548298
Energy: 1.892472249880606
Energy: 1.805851067242757
Energy: 1.892472249878861
Energy: 1.8291579195539573
Energy: 1.892472249878861
Energy: 2.091325111809634
Energy: 1.8567678848944615
Energy: 1.8083441034551564
Energy: 1.856767884902313
Energy: 2.091325111807889
Energy: 1.8567678849014406
Energy: 2.1859644697701315
Energy: 2.521503731250463
Energy: 1.8050943838287488
Energy: 2.5215037312417383
Energy: 2.1859644697701315
Energy: 2.521503731242611
Energy: 2.115233229206683
Energy: 2.216646920630501
Energy: 1.8133233612804163
Energy: 2.2166469206331185
Energy: 2.1152332292040654
Energy: 2.2166469206331185
Energy: 1.8287228053902316
Energy: 1.7568883033666558
Energy: 2.1008339818776314
Energy: 1.7568883033657836
Energy: 1.8287228053893592
Energy: 1.756888303364911
Energy: 1.9042787796658849
Energy: 2.246263103930452
Energy: 2.1036661142359367
Energy: 2.24626310392958
Energy: 1.9042787796632674
Energy: 2.2462631039287078
Energy: 1.7587692032374
Energy: 1.975561983862402
Energy: 2.100273185330963
Energy: 1.9755619838632743
Energy: 1.7587692032339104
Energy: 1.9755619838615295
Energy: 1.8205423302658466
Energy: 1.7574942899594217
Energy: 2.104124376354271
Energy: 1.757494289964656
Energy: 1.8205423302641013
Energy: 1.7574942899655284
Energy: 1.8221484793211904
Energy: 1.8959668490394443
Energy: 1.813854729131986
Energy: 1.8959668490342096
Energy: 1.8221484793211904
Energy: 1.895966849035082
Energy: 1.9907126017671035
Energy: 1.7560526970607715
Energy: 1.8093892479987055
Energy: 1.756052697055537
Energy: 1.9907126017653587
Energy: 1.7560526970564092
Energy: 1.9901996789823635
Energy: 2.013736671831004
Energy: 1.8099482476867226
Energy: 2.0137366718327487
Energy: 1.9901996789902152
Energy: 2.0137366718327487
Energy: 1.820404758284062
Energy: 1.8968047269605144
Energy: 1.8206571327102732
Energy: 1.8968047269666215
Energy: 1.8204047582788274
Energy: 1.896804726965749
Energy: 1.8198715037336413
Energy: 1.757438210123636
Energy: 2.1014683380171673
Energy: 1.7574382101227637
Energy: 1.8198715037336413
Energy: 1.757438210123636

minimum gb energy = 1.756052697055537 eV
minimum distance =  2.43374331264023 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 2.0780038167886485
Energy: 1.8262470807698696
Energy: 2.0053014701943157
Energy: 1.8262470807692341
Energy: 2.078003816788013
Energy: 1.8262470807698696
Energy: 1.9122337351606737
Energy: 1.7876905566720913
Energy: 1.7866711706439757
Energy: 1.7876905566714556
Energy: 1.912233735158189
Energy: 1.7876905566714556
Energy: 1.7853403566866453
Energy: 1.947582188497037
Energy: 1.7748914751546416
Energy: 1.947582188497037
Energy: 1.7853403566866453
Energy: 1.947582188496401
Energy: 2.0369412709870076
Energy: 1.7718544421679758
Energy: 1.9849513462646329
Energy: 1.7718544421679758
Energy: 2.0369412709870076
Energy: 1.7718544421679758
Energy: 1.7809471974237716
Energy: 1.86225271378809
Energy: 2.0064087385886893
Energy: 1.8622527137893612
Energy: 1.7809471974256783
Energy: 1.8622527137893612
Energy: 1.9430717845553793
Energy: 1.9326535500519981
Energy: 1.8269023635325214
Energy: 1.9326535500526334
Energy: 1.9430717845566507
Energy: 1.9326535500513622
Energy: 1.8216273249108155
Energy: 1.932325075450306
Energy: 1.7905397427121112
Energy: 1.932325075450306
Energy: 1.8216273249101795
Energy: 1.932325075450306
Energy: 2.054412077847296
Energy: 1.8622175272641155
Energy: 1.7828166370925842
Energy: 1.8622175272641155
Energy: 2.054412077847296
Energy: 1.8622175272641155
Energy: 1.978944527027258
Energy: 1.771785294091847
Energy: 1.949806110903512
Energy: 1.7717852940937542
Energy: 1.9789445270266222
Energy: 1.7717852940937542
Energy: 2.091868621576204
Energy: 1.9473416767985292
Energy: 1.7780353047218653
Energy: 1.9473416767985292
Energy: 2.0918686215736617
Energy: 1.9473416767985292
Energy: 1.7854543756613388
Energy: 1.8527569034196156
Energy: 2.276046910683761
Energy: 1.8527569034202511
Energy: 1.7854543756613388
Energy: 1.8527569034196156
Energy: 1.7902151387677456
Energy: 1.8156640011801195
Energy: 2.0781682264388723
Energy: 1.8156640011801195
Energy: 1.790215138769017
Energy: 1.8156640011801195
Energy: 1.780723698781126
Energy: 1.790346647402248
Energy: 1.9467649017944975
Energy: 1.7903466474035192
Energy: 1.780723698777312
Energy: 1.7903466474035192
Energy: 1.9781152773957955
Energy: 1.7715786563732863
Energy: 1.7780048744201853
Energy: 1.7715786563720148
Energy: 1.9781152773977024
Energy: 1.7715786563732863
Energy: 1.9749364473751414
Energy: 1.7719257905506685
Energy: 1.7915387732999055
Energy: 1.7719257905500327
Energy: 1.9749364473719633
Energy: 1.771925790549397
Energy: 1.9318687596953408
Energy: 1.955175758210561
Energy: 1.7764094544512343
Energy: 1.955175758210561
Energy: 1.9318687596934339
Energy: 1.9551757582111964
Energy: 1.820565184178202
Energy: 1.8154786312158728
Energy: 1.9403810235011263
Energy: 1.8154786312152373
Energy: 1.8205651841794732
Energy: 1.8154786312152373
Energy: 1.7971341013324098
Energy: 1.9330225001850925
Energy: 1.8205328997985182
Energy: 1.933022500185728
Energy: 1.7971341013330455
Energy: 1.9330225001863635
Energy: 1.7900058798029161
Energy: 1.791746739307786
Energy: 1.9775550067888228
Energy: 1.7917467393065147
Energy: 1.7900058798035519
Energy: 1.791746739305879
Energy: 1.7762743634761715
Energy: 2.2817660465641203
Energy: 1.9769279689755583
Energy: 2.2817660465660268
Energy: 1.7762743634736287
Energy: 2.2817660465653913
Energy: 1.7782002521307898
Energy: 1.952299922260094
Energy: 1.7896442769902066
Energy: 1.952299922260094
Energy: 1.7782002521314255
Energy: 1.952299922260094
Energy: 2.471725955062199
Energy: 1.7883155564201925
Energy: 1.7759439676891602
Energy: 1.788315556418921
Energy: 2.4717259550628343
Energy: 1.7883155564182855
Energy: 2.463797348865249
Energy: 1.778241102073889
Energy: 1.7910359265903224
Energy: 1.7782411020726179
Energy: 2.463797348865249
Energy: 1.778241102070711
Energy: 1.776470104195155
Energy: 2.0959595899360193
Energy: 1.790114727365
Energy: 2.095959589936655
Energy: 1.7764701041919768
Energy: 2.095959589935384
Energy: 1.7784626443967588
Energy: 2.0819847113378556
Energy: 1.9761200975179343
Energy: 2.08198471133722
Energy: 1.778462644392945
Energy: 2.081984711336584
Energy: 1.7894578446730516
Energy: 1.7729162816830046
Energy: 1.9749655139442417
Energy: 1.772916281680462
Energy: 1.7894578446749587
Energy: 1.7729162816810977
Energy: 1.7857820299848002
Energy: 2.1189525450711417
Energy: 1.9390432406775815
Energy: 2.1189525450724127
Energy: 1.7857820299867069
Energy: 2.118952545073684
Energy: 1.932653150758545
Energy: 2.516563622998542
Energy: 1.9324582168777795
Energy: 2.5165636229998136
Energy: 1.9326531507598161
Energy: 2.5165636229998136
Energy: 1.9392214639081895
Energy: 2.1187440166368976
Energy: 1.7759305865702004
Energy: 2.1187440166381695
Energy: 1.9392214639088252
Energy: 2.1187440166368976
Energy: 1.9759445477816373
Energy: 1.7731829227627616
Energy: 1.7904269012108431
Energy: 1.7731829227633975
Energy: 1.9759445477816373
Energy: 1.7731829227627616
Energy: 1.9762662968469438
Energy: 2.0819725340258137
Energy: 1.7783584968265485
Energy: 2.0819725340258137
Energy: 1.9762662968475793
Energy: 2.081972534027085
Energy: 1.7898923180326614
Energy: 2.096456066218831
Energy: 1.779758316170841
Energy: 2.0964560662181957
Energy: 1.7898923180307542
Energy: 2.0964560662181957
Energy: 1.7910620062303053
Energy: 1.7780673140458356
Energy: 2.3629360589435238
Energy: 1.7780673140464713
Energy: 1.7910620062328482
Energy: 1.7780673140458356
Energy: 1.7758871847700828
Energy: 1.7881685982495241
Energy: 2.4703605704647424
Energy: 1.7881685982482527
Energy: 1.7758871847700828
Energy: 1.7881685982482527
Energy: 1.7897190843461381
Energy: 1.9522593116720737
Energy: 1.7781779427234143
Energy: 1.9522593116739806
Energy: 1.7897190843455026
Energy: 1.9522593116739806
Energy: 1.9746437631050473
Energy: 2.281204313841859
Energy: 1.77598974125894
Energy: 2.2812043138399525
Energy: 1.9746437631031402
Energy: 2.2812043138405884

minimum gb energy = 1.7715786563720148 eV
minimum distance =  2.31698701082973 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.670501597193864
Energy: 1.6715705544911734
Energy: 1.8643010591680895
Energy: 1.6715705544904567
Energy: 1.6705015971945805
Energy: 1.6715705544906956
Energy: 1.6710069180268514
Energy: 1.67128131338092
Energy: 1.67058221700848
Energy: 1.6712813133818487
Energy: 1.6710069180268514
Energy: 1.6712813133816098
Energy: 1.670581157958515
Energy: 1.6712369619944671
Energy: 1.6710453525003843
Energy: 1.6712369619944671
Energy: 1.670581157958276
Energy: 1.6712369619939893
Energy: 2.142396296392088
Energy: 1.6715705544911734
Energy: 1.6705015971934125
Energy: 1.6715705544914121
Energy: 2.1423962963843914
Energy: 1.6715705544909345
Energy: 1.6705822170087192
Energy: 1.6712813133816098
Energy: 1.6710069180261613
Energy: 1.6712813133820876
Energy: 1.6705822170091966
Energy: 1.6712813133811322
Energy: 1.6710453524999065
Energy: 1.6712369619946792
Energy: 1.670581157958276
Energy: 1.6712369619942282
Energy: 1.6710453525013131
Energy: 1.6712369619946792
Energy: 1.670501597193864
Energy: 1.6715705544906956
Energy: 2.14239629640143
Energy: 1.6715705544904567
Energy: 1.6705015971936252
Energy: 1.6715705544906956
Energy: 1.6710069180301157
Energy: 1.671281313381371
Energy: 1.6705822170087192
Energy: 1.67128131338092
Energy: 1.6710069180282576
Energy: 1.6712813133811322
Energy: 1.670581157957135
Energy: 1.6712369619942282
Energy: 1.6710453524992166
Energy: 1.6712369619946792
Energy: 1.670581157958276
Energy: 1.6712369619949183
Energy: 1.8645235373992897
Energy: 1.6715705544911734
Energy: 1.670501597193864
Energy: 1.6715705544914121
Energy: 1.8645235373992897
Energy: 1.6715705544906956

minimum gb energy = 1.6705015971934125 eV
minimum distance =  2.42234072315094 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.497369541205975
Energy: 2.224406943489556
Energy: 2.65065795345504
Energy: 2.224406943488158
Energy: 2.497369541207373
Energy: 2.224406943488158
Energy: 2.2401551331884164
Energy: 1.940216760363585
Energy: 1.7864405230235672
Energy: 1.9402167603600906
Energy: 2.2401551331877174
Energy: 1.9402167603600906
Energy: 1.7797254617723355
Energy: 1.7762704513528444
Energy: 2.1586894034212705
Energy: 1.7762704513528444
Energy: 1.7797254617716367
Energy: 1.7762704513528444
Energy: 2.047521189510807
Energy: 2.1653829144250354
Energy: 2.016188618071146
Energy: 2.1653829144285304
Energy: 2.047521189508011
Energy: 2.1653829144285304
Energy: 1.9386259153284529
Energy: 1.9381655774704516
Energy: 2.416322779496033
Energy: 1.9381655774704516
Energy: 1.9386259153284529
Energy: 1.9381655774704516
Energy: 2.0481868764441193
Energy: 1.8332190713894503
Energy: 1.7564718362927778
Energy: 1.8332190713922456
Energy: 2.0481868764462163
Energy: 1.8332190713922456
Energy: 1.938547298216063
Energy: 1.9381603315535714
Energy: 1.9375671589198884
Energy: 1.9381603315528726
Energy: 1.938547298216063
Energy: 1.9381603315528726
Energy: 1.9415449236825155
Energy: 2.1601336086558143
Energy: 2.013362475028803
Energy: 2.1601336086551153
Energy: 1.9415449236832145
Energy: 2.1601336086551153
Energy: 1.7797893796750222
Energy: 1.7755397005844602
Energy: 2.415475441499908
Energy: 1.7755397005872557
Energy: 1.7797893796743232
Energy: 1.7755397005872557
Energy: 1.7841249469179066
Energy: 1.9404972165842878
Energy: 1.7829263268578985
Energy: 1.9404972165835888
Energy: 1.7841249469186056
Energy: 1.9404972165835888
Energy: 2.296308411155079
Energy: 1.7467471751346886
Energy: 1.9503346093827734
Energy: 1.746747175133291
Energy: 2.296308411155778
Energy: 1.746747175133291
Energy: 2.290223319406032
Energy: 1.7823345464183158
Energy: 1.7800966874602022
Energy: 1.7823345464176172
Energy: 2.2902233194053334
Energy: 1.7823345464190148
Energy: 1.7757794526077275
Energy: 1.9682830190128082
Energy: 1.787685880899012
Energy: 1.9682830190149052
Energy: 1.775779452609125
Energy: 1.968283019015604
Energy: 1.7843704732426777
Energy: 2.2881944550424107
Energy: 2.016372073257701
Energy: 2.2881944550396147
Energy: 1.78437047324128
Energy: 2.2881944550396147
Energy: 1.944687356708761
Energy: 1.8198102359136255
Energy: 2.0162205738795604
Energy: 1.8198102359129267
Energy: 1.9446873567108578
Energy: 1.8198102359129267
Energy: 1.9546503125066748
Energy: 1.814296335467913
Energy: 1.7498053864703236
Energy: 1.814296335467214
Energy: 1.9546503125052768
Energy: 1.814296335467214
Energy: 1.9439256954666653
Energy: 1.8159798192683305
Energy: 1.7486138046793323
Energy: 1.815979819266933
Energy: 1.9439256954680628
Energy: 1.8159798192676313
Energy: 1.9535281454938462
Energy: 2.1091892082415487
Energy: 2.0260317863566257
Energy: 2.1091892082457417
Energy: 1.9535281454938462
Energy: 2.1091892082457417
Energy: 1.7824090621822162
Energy: 2.0653627302323874
Energy: 2.0164190304066882
Energy: 2.0653627302302904
Energy: 1.7824090621808186
Energy: 2.0653627302302904
Energy: 1.7761792013341218
Energy: 2.051934040040427
Energy: 1.7804545840647255
Energy: 2.051934040038331
Energy: 1.7761792013341218
Energy: 2.051934040038331
Energy: 2.469810336473713
Energy: 2.0598632893888085
Energy: 1.7814402085559773
Energy: 2.059863289391604
Energy: 2.4698103364716166
Energy: 2.059863289390905
Energy: 2.3298943704219646
Energy: 1.7809752004181596
Energy: 1.9445017431169591
Energy: 1.780975200422353
Energy: 2.329894370423362
Energy: 1.780975200422353
Energy: 1.7851588501375162
Energy: 1.9406856529725551
Energy: 1.781600278212602
Energy: 1.9406856529725551
Energy: 1.7851588501403117
Energy: 1.9406856529725551
Energy: 1.778339665283805
Energy: 1.7759496404689141
Energy: 2.414596751998343
Energy: 1.7759496404668171
Energy: 1.778339665283106
Energy: 1.7759496404668171
Energy: 1.9405863894463875
Energy: 2.106549668215606
Energy: 2.017432464727183
Energy: 2.106549668217004
Energy: 1.9405863894456885
Energy: 2.106549668217004
Energy: 1.938261632191246
Energy: 2.033315571617271
Energy: 1.8385517884244411
Energy: 2.0333155716207645
Energy: 1.9382616321926438
Energy: 2.0333155716207645
Energy: 1.9408416650598603
Energy: 1.8145786354799414
Energy: 1.7504774002625856
Energy: 1.8145786354764468
Energy: 1.9408416650605596
Energy: 1.8145786354764468
Energy: 1.9381861497906065
Energy: 1.8200058219873128
Energy: 2.4169309181307908
Energy: 1.8200058219894097
Energy: 1.9381861497899076
Energy: 1.8200058219894097
Energy: 1.977742710754818
Energy: 2.158257348618729
Energy: 2.011622421910953
Energy: 2.1582573486194274
Energy: 1.977742710755517
Energy: 2.158257348617331
Energy: 1.7880937262186876
Energy: 1.777547023153883
Energy: 2.1299860635059247
Energy: 1.7775470231510875
Energy: 1.7880937262207846
Energy: 1.7775470231517863
Energy: 1.8197140921857697
Energy: 1.9463551718718457
Energy: 1.7859757476929448
Energy: 1.9463551718725447
Energy: 1.8197140921878667
Energy: 1.9463551718725447
Energy: 2.3111006329347985
Energy: 2.298228570205797
Energy: 1.8164230518689937
Energy: 2.2982285702064953
Energy: 2.3111006329347985
Energy: 2.2982285702064953
Energy: 2.045951802558078
Energy: 1.9402695252121307
Energy: 1.7859931607354933
Energy: 1.940269525212798
Energy: 2.045951802557379
Energy: 1.940269525212798

minimum gb energy = 1.746747175133291 eV
minimum distance =  2.30884154265385 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.8784532674142458
Energy: 2.6050480909578457
Energy: 2.0014786823826394
Energy: 2.6050480909578457
Energy: 1.8784532674152417
Energy: 2.6050480909578457
Energy: 2.390314582049786
Energy: 1.7842533826444964
Energy: 1.7826906610870117
Energy: 1.7842533826454923
Energy: 2.390314582049786
Energy: 1.7842533826454923
Energy: 1.793184154852217
Energy: 1.8974370348217773
Energy: 2.087468421074149
Energy: 1.8974370348207816
Energy: 1.793184154852217
Energy: 1.89743703481879
Energy: 2.4624289872485297
Energy: 2.259953294380368
Energy: 1.7743768793242654
Energy: 2.259953294384352
Energy: 2.462428987247534
Energy: 2.2599532943813636
Energy: 1.771393037443746
Energy: 2.228511229813133
Energy: 2.390650229355109
Energy: 2.228511229813133
Energy: 1.7713930374447417
Energy: 2.2285112298101457
Energy: 1.7887416025634746
Energy: 1.7831614714315067
Energy: 1.782601931233467
Energy: 1.7831614714305108
Energy: 1.7887416025624787
Energy: 1.7831614714315067
Energy: 1.7932793651562147
Energy: 1.7837374955448986
Energy: 1.7809179549447147
Energy: 1.7837374955458944
Energy: 1.7932793651542231
Energy: 1.7837374955458944
Energy: 1.7837106343868632
Energy: 2.228491612389995
Energy: 2.3459415887616317
Energy: 2.228491612391987
Energy: 1.7837106343888547
Energy: 2.228491612391987
Energy: 1.7816421160788223
Energy: 1.9417582293018523
Energy: 2.3920154484521436
Energy: 1.9417582293008564
Energy: 1.7816421160788223
Energy: 1.9417582293008564
Energy: 1.7814492925570498
Energy: 1.78327987113627
Energy: 1.789749209999893
Energy: 1.78327987113627
Energy: 1.7814492925570498
Energy: 1.78327987113627
Energy: 1.7721580392066638
Energy: 1.783596393371525
Energy: 1.7837217644015617
Energy: 1.7835963933735166
Energy: 1.7721580392066638
Energy: 1.7835963933735166
Energy: 1.7869921775150046
Energy: 1.9718777211032692
Energy: 1.786899778261279
Energy: 1.971877721105261
Energy: 1.7869921775150046
Energy: 1.971877721105261
Energy: 1.7835062081218314
Energy: 1.7835213613686878
Energy: 1.772154158695193
Energy: 1.783521361367692
Energy: 1.7835062081228272
Energy: 1.783521361367692
Energy: 1.7896760641662512
Energy: 1.783304580204632
Energy: 1.781457285728179
Energy: 1.783304580204632
Energy: 1.7896760641652554
Energy: 1.783304580204632
Energy: 2.390301612931842
Energy: 1.9415491382149628
Energy: 1.781663335474052
Energy: 1.9415491382159589
Energy: 2.390301612931842
Energy: 1.9415491382159589
Energy: 2.346161076606351
Energy: 2.2285422405655333
Energy: 1.7837562928786739
Energy: 2.2285422405645376
Energy: 2.346161076606351
Energy: 2.2285422405645376
Energy: 1.7780854153155268
Energy: 1.783799508746927
Energy: 1.7660717957179441
Energy: 1.7837995087479228
Energy: 1.7780854153165226
Energy: 1.7837995087479228
Energy: 1.782592284266302
Energy: 1.7830480249663467
Energy: 1.788658134204675
Energy: 1.7830480249673426
Energy: 1.782592284266302
Energy: 1.7830480249673426
Energy: 2.390726842726019
Energy: 2.223119573794684
Energy: 1.7714263927540108
Energy: 2.2231195737966756
Energy: 2.390726842726019
Energy: 2.223119573794684
Energy: 1.7743738070011057
Energy: 2.2538228901943835
Energy: 2.462430814011734
Energy: 2.2538228901943835
Energy: 1.7743738070030972
Energy: 2.2538228901923922
Energy: 2.0877683074449958
Energy: 1.8974370348217773
Energy: 1.7668489634652074
Energy: 1.8974370348217773
Energy: 2.0877683074459914
Energy: 1.8974370348217773
Energy: 1.7827356973557966
Energy: 1.784211350850826
Energy: 2.390332911945594
Energy: 1.784211350850826
Energy: 1.7827356973548008
Energy: 1.784211350850826
Energy: 2.1980455024866794
Energy: 2.6050480909568496
Energy: 1.8784532674181837
Energy: 2.6050480909568496
Energy: 2.1980455024846877
Energy: 2.6050480909578457

minimum gb energy = 1.7660717957179441 eV
minimum distance =  2.42207861746502 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.15431302710938
Energy: 1.7966266751486972
Energy: 2.571070353340239
Energy: 1.7966266751474336
Energy: 2.1543130271087483
Energy: 1.7966266751474336
Energy: 2.435696988360436
Energy: 2.088609411431074
Energy: 1.7544975567769363
Energy: 2.088609411429179
Energy: 2.435696988360436
Energy: 2.088609411429179
Energy: 1.7567138797873292
Energy: 1.8514577795749294
Energy: 2.3262441586911415
Energy: 1.8514577795724023
Energy: 1.7567138797892246
Energy: 1.8514577795724023
Energy: 1.8506160692154472
Energy: 2.066947249043104
Energy: 1.7893137244291661
Energy: 2.066947249043104
Energy: 1.8506160692154472
Energy: 2.066947249043104
Energy: 2.0755934767530997
Energy: 2.2703113202053897
Energy: 2.0539619331402212
Energy: 2.270311320207917
Energy: 2.0755934767524677
Energy: 2.2703113202085485
Energy: 2.0914775831057764
Energy: 1.7799576601359817
Energy: 1.7590043831246365
Energy: 1.77995766013535
Energy: 2.091477583103882
Energy: 1.77995766013535
Energy: 1.7569857543746212
Energy: 1.7776195501549106
Energy: 1.7753959909335482
Energy: 1.777619550155542
Energy: 1.7569857543758844
Energy: 1.7776195501542789
Energy: 1.7779733271626657
Energy: 1.7580536062279966
Energy: 2.0904834111155166
Energy: 1.7580536062279966
Energy: 1.7779733271658245
Energy: 1.7580536062286283
Energy: 2.055462542354509
Energy: 2.1265824212526474
Energy: 2.082011781970017
Energy: 2.1265824212501205
Energy: 2.055462542354509
Energy: 2.1265824212501205
Energy: 1.7980773048358873
Energy: 1.8484179294080312
Energy: 1.7575678877763676
Energy: 1.8484179294080312
Energy: 1.7980773048384142
Energy: 2.0975756998875594
Energy: 1.7631235123312892
Energy: 1.9335439412026405
Energy: 1.7766957296686263
Energy: 1.9335439412057995
Energy: 1.7631235123325524
Energy: 1.9335439412045357
Energy: 1.7538926596473439
Energy: 1.9606379706430228
Energy: 2.4362286911824182
Energy: 1.9606379706430228
Energy: 1.7538926596473439
Energy: 1.9606379706430228
Energy: 2.1126524220696066
Energy: 2.301850219133181
Energy: 2.1547252786050173
Energy: 2.3018502191325494
Energy: 2.112652422068343
Energy: 2.301850219133181
Energy: 1.7545078493490198
Energy: 2.083680033386254
Energy: 1.763915348120565
Energy: 2.083680033382464
Energy: 1.7545078493490198
Energy: 2.083680033383727
Energy: 2.1571713485270054
Energy: 1.8496702325428371
Energy: 1.7595647610960574
Energy: 1.849670232543469
Energy: 2.1571713485276374
Energy: 1.8496702325428371
Energy: 1.789201058931697
Energy: 2.0528151300028004
Energy: 2.4070974371086225
Energy: 2.0528151300028004
Energy: 1.789201058931697
Energy: 2.052815130002169
Energy: 2.502314832225876
Energy: 2.2877963205080545
Energy: 2.075319554773477
Energy: 2.2877963205099494
Energy: 2.5023148322239805
Energy: 2.2877963205099494
Energy: 1.7578094281937124
Energy: 1.777428309693004
Energy: 2.2896611852398383
Energy: 1.7774283096917405
Energy: 1.7578094281962398
Energy: 1.7774283096923724
Energy: 1.9116388933731507
Energy: 1.7779669814045942
Energy: 1.7607372140685749
Energy: 1.7779669814045942
Energy: 1.9116388933737825
Energy: 1.7779669814045942
Energy: 2.0753280289968217
Energy: 1.7603115935855669
Energy: 1.7764051211828404
Energy: 1.7603115935849352
Energy: 2.0753280289961906
Energy: 1.7603115935849352
Energy: 2.408705375014666
Energy: 2.087927487694076
Energy: 1.7884226695110823
Energy: 2.0879274876959713
Energy: 2.408705375014034
Energy: 2.0879274876966027
Energy: 1.7633214998435562
Energy: 1.7784545348138643
Energy: 2.0533804168679386
Energy: 1.7784545348126006
Energy: 1.7633214998479785
Energy: 1.7784545348126006
Energy: 1.7782857510632013
Energy: 2.0835064326942767
Energy: 1.7609561464245147
Energy: 2.0835064326949086
Energy: 1.778285751063833
Energy: 2.0835064326936448
Energy: 2.169969599593276
Energy: 1.754055986346278
Energy: 1.7622496898349584
Energy: 1.754055986346278
Energy: 2.169969599593276
Energy: 1.7540559863456462
Energy: 2.4506920779300594
Energy: 1.9584820647560435
Energy: 1.7639494915404972
Energy: 1.9584820647560435
Energy: 2.4506920779313224
Energy: 1.9584820647554118
Energy: 1.7768136076849583
Energy: 2.297670630030626
Energy: 1.7521334823090227
Energy: 2.297670630033153
Energy: 1.7768136076855903
Energy: 2.2976706300312575
Energy: 1.7645764991907975
Energy: 1.7766674810456462
Energy: 2.075381475443584
Energy: 1.7766674810450143
Energy: 1.7645764991920607
Energy: 1.7766674810450143
Energy: 2.0908778077018466
Energy: 2.090674547314364
Energy: 1.7983203283795108
Energy: 2.0906745473156274
Energy: 2.0908778076999512
Energy: 2.0906745473162593
Energy: 2.0755601235103174
Energy: 1.7590800210021147
Energy: 1.776387265767847
Energy: 1.7590800210021147
Energy: 2.0755601235103174
Energy: 1.759080021001483
Energy: 1.7776409962188724
Energy: 1.7780078590933477
Energy: 1.7630609973276805
Energy: 1.7780078590920843
Energy: 1.7776409962163455
Energy: 1.7780078590920843
Energy: 1.7566754981200698
Energy: 2.0252820625119425
Energy: 2.4084627845893953
Energy: 2.0252820625119425
Energy: 1.756675498124492
Energy: 2.0252820625119425
Energy: 2.054776152631036
Energy: 1.7842100799303726
Energy: 2.075315774540743
Energy: 1.7842100799310043
Energy: 2.054776152634195
Energy: 1.784210079931636
Energy: 1.7879828658318906
Energy: 2.05369726456901
Energy: 2.359259751369138
Energy: 2.05369726456901
Energy: 1.7879828658325225
Energy: 2.053697264570274
Energy: 2.2895993613915366
Energy: 1.8517417895284438
Energy: 1.7578447930019558
Energy: 1.8517417895290753
Energy: 2.289599361394064
Energy: 1.8517417895284438
Energy: 1.7514377360539823
Energy: 2.0839546919880814
Energy: 2.270103033227914
Energy: 2.0839546919893452
Energy: 1.751437736055246
Energy: 2.0839546919893452
Energy: 2.112174936885706
Energy: 1.7969543185756947
Energy: 2.1591606526499443
Energy: 1.7969543185763264
Energy: 2.1121749368831786
Energy: 1.7969543185744314
Energy: 1.7610465817544474
Energy: 2.0773540257369683
Energy: 2.43818106766448
Energy: 2.0773540257369683
Energy: 1.761046581757606
Energy: 2.0773540257363368

minimum gb energy = 1.7514377360539823 eV
minimum distance =  2.33449623522105 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.6491529030595309
Energy: 1.5689563534900097
Energy: 2.545565911345579
Energy: 1.56895635348656
Energy: 1.6491529030595309
Energy: 1.56895635348656
Energy: 2.293519306183853
Energy: 1.5782325045540586
Energy: 1.5749524656415619
Energy: 1.5782325045523338
Energy: 2.293519306183853
Energy: 1.5782325045523338
Energy: 1.6500405065454637
Energy: 1.9052197671782547
Energy: 1.8420075050580076
Energy: 1.9052197671782547
Energy: 1.6500405065471884
Energy: 1.9052197671782547
Energy: 2.3912285280240315
Energy: 1.5786787266003177
Energy: 1.5750119425567903
Energy: 1.5786787265968678
Energy: 2.3912285280240315
Energy: 1.5786787265968678
Energy: 1.6511685902335396
Energy: 1.5775615645868444
Energy: 1.5703432080847728
Energy: 1.5775615645885694
Energy: 1.6511685902352646
Energy: 1.5775615645902943
Energy: 1.6509032774504686
Energy: 1.6938969478418013
Energy: 1.5739750588126196
Energy: 1.6938969478418013
Energy: 1.6509032774521935
Energy: 1.6938969478418013
Energy: 2.314457941050302
Energy: 1.5774568230299513
Energy: 1.569682221509107
Energy: 1.577456823033401
Energy: 2.314457941050302
Energy: 1.577456823033401
Energy: 1.650797385440542
Energy: 1.5705330050121649
Energy: 1.5732311876151606
Energy: 1.57053300501389
Energy: 1.650797385440542
Energy: 1.5705330050155755
Energy: 2.2364329423834173
Energy: 1.7014663633075304
Energy: 1.5692148271483168
Energy: 1.7014663633058054
Energy: 2.2364329423834173
Energy: 1.7014663633058054
Energy: 1.6496908368069865
Energy: 1.5693597519077933
Energy: 1.5712485872266033
Energy: 1.5693597519077933
Energy: 1.6496908368069865
Energy: 1.569359751911243
Energy: 2.26838298664158
Energy: 1.5702978591898353
Energy: 1.5687748911066564
Energy: 1.5702978591846608
Energy: 2.268382986639855
Energy: 1.5702978591846608
Energy: 1.6492751853518761
Energy: 1.9052488455225058
Energy: 2.297963672323637
Energy: 1.9052488455259555
Energy: 1.6492751853518761
Energy: 1.9052488455259555
Energy: 2.2684340198945585
Energy: 1.5700774192487494
Energy: 1.5687735273843797
Energy: 1.5700774192504743
Energy: 2.2684340198945585
Energy: 1.5700774192504743
Energy: 1.6497056486478616
Energy: 1.5693724870565018
Energy: 1.5712582022724484
Energy: 1.5693724870582266
Energy: 1.6497056486461368
Energy: 1.5693724870616763

minimum gb energy = 1.5687735273843797 eV
minimum distance =  2.50939137792209 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.286579047484901
Energy: 1.8878210255204082
Energy: 2.45006221646729
Energy: 1.887821025521166
Energy: 2.2865790474841434
Energy: 1.887821025521166
Energy: 2.2181181058908703
Energy: 2.100384773224033
Energy: 1.8828212110858928
Energy: 2.100384773224791
Energy: 2.2181181058908703
Energy: 2.100384773224791
Energy: 1.9435900510305646
Energy: 2.2201474785429416
Energy: 1.924257777727224
Energy: 2.2201474785444573
Energy: 1.943590051029807
Energy: 2.2201474785444573
Energy: 1.9471506152999185
Energy: 1.927087692384548
Energy: 1.9156840793044847
Energy: 1.92708769238379
Energy: 1.947150615298403
Energy: 1.92708769238379
Energy: 2.079401183324427
Energy: 2.198747418679195
Energy: 1.9289471844905675
Energy: 2.1987474186807106
Energy: 2.0794011833251846
Energy: 2.1987474186807106
Energy: 1.938059931983142
Energy: 2.2638008790658004
Energy: 2.0872576157165006
Energy: 2.263800879065043
Energy: 1.938059931983142
Energy: 2.263800879065043
Energy: 1.9404120329441554
Energy: 2.079074322713804
Energy: 1.9377126259558952
Energy: 2.079074322713804
Energy: 1.9404120329441554
Energy: 2.079074322713804
Energy: 1.9160345127196936
Energy: 1.927371669655375
Energy: 2.006764930125466
Energy: 1.927371669654652
Energy: 1.9160345127196936
Energy: 1.927371669654652
Energy: 2.1110446695319216
Energy: 2.074444948619463
Energy: 1.882274516146397
Energy: 2.0744449486202208
Energy: 2.1110446695311635
Energy: 2.0744449486209784
Energy: 1.883514018330832
Energy: 2.3555972119498128
Energy: 2.0242265812772104
Energy: 2.3555972119505704
Energy: 1.883514018330832
Energy: 2.3555972119505704
Energy: 2.009450364022025
Energy: 1.9161592413711832
Energy: 2.2599289787143113
Energy: 1.916159241371941
Energy: 2.009450364022025
Energy: 1.916159241371941
Energy: 1.9237825279832659
Energy: 2.264265875882994
Energy: 2.152864613003014
Energy: 2.264265875882994
Energy: 1.9237825279817506
Energy: 2.264265875882994
Energy: 1.8831975900793154
Energy: 2.215981681296524
Energy: 2.132920616244569
Energy: 2.215981681296524
Energy: 1.883197590080073
Energy: 2.215981681296524
Energy: 1.9300697500268076
Energy: 2.100688684245153
Energy: 1.931014183998989
Energy: 2.100688684245153
Energy: 1.9300697500268076
Energy: 2.100688684245153
Energy: 1.8824558016117314
Energy: 2.3058522614291195
Energy: 2.0878959131553105
Energy: 2.305852261429877
Energy: 1.8824558016117314
Energy: 2.305852261429877
Energy: 2.2219313614730605
Energy: 2.2553379922611843
Energy: 1.9387188239539765
Energy: 2.2553379922604266
Energy: 2.2219313614730605
Energy: 2.2553379922604266
Energy: 1.9379192315969693
Energy: 2.0792514385402967
Energy: 2.087584283039778
Energy: 2.0792514385410543
Energy: 1.9379192315992428
Energy: 2.0792514385410543
Energy: 2.0871583891005803
Energy: 2.305811874070292
Energy: 1.8839053589132368
Energy: 2.305811874069534
Energy: 2.0871583891013374
Energy: 2.305811874069534
Energy: 1.9289808010816092
Energy: 2.2127314025210305
Energy: 1.9296179474421018
Energy: 2.2127314025210305
Energy: 1.9289808010831249
Energy: 2.2127314025210305
Energy: 1.916363289264466
Energy: 2.2197286517732766
Energy: 1.8833099418785404
Energy: 2.2197286517740342
Energy: 1.9163632892652234
Energy: 2.2197286517732766
Energy: 2.1527337691009083
Energy: 2.2095633158907635
Energy: 1.8830424498635787
Energy: 2.209563315890006
Energy: 2.152733769099393
Energy: 2.209563315890006
Energy: 2.286798120906984
Energy: 1.9165608866231116
Energy: 2.1159033400209153
Energy: 1.9165608866231116
Energy: 2.286798120908499
Energy: 1.9165608866231116
Energy: 2.1184944876471006
Energy: 2.355429391743061
Energy: 1.8820602722360276
Energy: 2.355429391743061
Energy: 2.118494487646343
Energy: 2.355429391743061
Energy: 1.9165854912272917
Energy: 2.0744411859162453
Energy: 2.110382891594201
Energy: 2.0744411859154877
Energy: 1.9165854912257763
Energy: 2.0744411859162453
Energy: 2.0064688380730784
Energy: 1.9274730112587979
Energy: 1.944155451001722
Energy: 1.92747301125804
Energy: 2.0064688380730784
Energy: 1.9274730112587979
Energy: 1.9379152015622396
Energy: 2.221661668763362
Energy: 1.9463655784513327
Energy: 2.22166166876412
Energy: 1.9379152015645127
Energy: 2.22166166876412
Energy: 2.0797675612604496
Energy: 2.267120741237349
Energy: 2.079499229972066
Energy: 2.267120741237349
Energy: 2.079767561259692
Energy: 2.267120741237349
Energy: 1.929001430046248
Energy: 2.2234780037821764
Energy: 1.9379918665857088
Energy: 2.2234780037829345
Energy: 1.929001430046248
Energy: 2.2234780037829345
Energy: 1.9171150125009475
Energy: 1.9270876573384834
Energy: 1.927591522452547
Energy: 1.927087657336968
Energy: 1.9171150125009475
Energy: 1.927087657336968
Energy: 1.924443650047857
Energy: 2.2219624051412046
Energy: 1.916192145202873
Energy: 2.221962405139689
Energy: 1.9244436500493725
Energy: 2.221962405140447
Energy: 1.8825582458801395
Energy: 2.3793328597595846
Energy: 2.216789844569873
Energy: 2.3793328597603427
Energy: 1.8825582458824126
Energy: 2.3793328597603427

minimum gb energy = 1.8820602722360276 eV
minimum distance =  2.25716521565852 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.9695200359793914
Energy: 1.970344653153627
Energy: 2.2869198309913523
Energy: 1.970344653153627
Energy: 1.9695200359793914
Energy: 1.970344653153627
Energy: 2.041989812941241
Energy: 2.0629730016353895
Energy: 1.9973781251090355
Energy: 2.0629730016353895
Energy: 2.041989812939893
Energy: 2.1280235500487317
Energy: 1.9472212309805301
Energy: 2.12459996120511
Energy: 1.9472802748278952
Energy: 2.12459996120511
Energy: 1.9472212309791814
Energy: 2.12459996120511
Energy: 1.9684408598144858
Energy: 2.3611992725234967
Energy: 1.9684851926410245
Energy: 2.2603749839442164
Energy: 1.9684408598144858
Energy: 2.261611184325095
Energy: 1.9472668772336412
Energy: 2.1245170397756943
Energy: 1.974761827240855
Energy: 2.124517039774346
Energy: 1.9472668772322925
Energy: 2.1245170397756943
Energy: 1.997639925184034
Energy: 2.0632784739635563
Energy: 2.0420622379465567
Energy: 2.0632784739635563
Energy: 1.997639925184034
Energy: 2.0632784739635563
Energy: 2.1691251996062655
Energy: 1.970344653153627
Energy: 1.9695200359793914
Energy: 1.9703446531549755
Energy: 2.1691251996062655
Energy: 1.9703446531549755
Energy: 1.997378125110384
Energy: 2.0629730016340413
Energy: 2.041989812939893
Energy: 2.0629730016340413
Energy: 1.997378125110384
Energy: 2.062973001632693
Energy: 1.9472802748292435
Energy: 2.12459996120511
Energy: 1.9472212309778332
Energy: 2.124599961203762
Energy: 1.9472802748292435
Energy: 2.124599961203762
Energy: 1.9684851926423728
Energy: 2.2603749839455647
Energy: 1.9684408598131375
Energy: 2.361199272524845
Energy: 1.9684851926423728
Energy: 2.2603749839442164
Energy: 1.974761827240855
Energy: 2.1245170397756943
Energy: 1.9472668772322925
Energy: 2.1245170397756943
Energy: 1.974761827240855
Energy: 2.1245170397756943
Energy: 2.0420622379465567
Energy: 2.0632784739635563
Energy: 1.997639925184034
Energy: 2.0632784739635563
Energy: 2.0420622379452085
Energy: 2.0632784739635563
Energy: 1.9695200359793914
Energy: 1.970344653153627
Energy: 2.1691251996076137
Energy: 1.970344653153627
Energy: 1.9695200359793914
Energy: 1.970344653153627
Energy: 2.041989812941241
Energy: 2.0629730016340413
Energy: 1.9973781251090355
Energy: 2.0629730016340413
Energy: 2.041989812941241
Energy: 2.0629730016353895
Energy: 1.9472212309791814
Energy: 2.124599961203762
Energy: 1.9472802748292435
Energy: 2.12459996120511
Energy: 1.9472212309805301
Energy: 2.124599961203762
Energy: 1.9684408598144858
Energy: 2.2603749839442164
Energy: 1.9684851926410245
Energy: 2.2603749839455647
Energy: 1.9684408598131375
Energy: 2.4464776369510224
Energy: 1.9472668772336412
Energy: 2.1245170397756943
Energy: 1.974761827240855
Energy: 2.1245170397756943
Energy: 1.9472668772336412
Energy: 2.1245170397756943

minimum gb energy = 1.9472212309778332 eV
minimum distance =  2.36022820420459 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.3338377355394373
Energy: 2.0539143739425367
Energy: 2.469438606578246
Energy: 2.053914373939234
Energy: 2.333837735537236
Energy: 2.053914373939234
Energy: 2.036368756762159
Energy: 2.2830783871121842
Energy: 1.9696842815308866
Energy: 2.2830783871099825
Energy: 2.036368756762159
Energy: 2.2830783871099825
Energy: 1.9935331112550005
Energy: 2.0622533384663635
Energy: 2.0037321283568383
Energy: 2.0622533384663635
Energy: 1.9935331112550005
Energy: 2.0622533384663635
Energy: 1.9983256405496317
Energy: 2.0638542388888736
Energy: 2.0712761727900246
Energy: 2.06385423888447
Energy: 1.9983256405518337
Energy: 2.06385423888447
Energy: 2.0388026383761253
Energy: 2.1879130311969863
Energy: 2.0049039058482174
Energy: 2.187913031198087
Energy: 2.0388026383761253
Energy: 2.187913031198087
Energy: 1.998153652202018
Energy: 2.061936456418421
Energy: 2.1602377579748544
Energy: 2.0619364564228246
Energy: 1.998153652200917
Energy: 2.0619364564228246
Energy: 1.9939242084063202
Energy: 2.0610734660564947
Energy: 1.969499275485141
Energy: 2.061073466053192
Energy: 1.9939242084074214
Energy: 2.061073466053192
Energy: 2.0405064598953127
Energy: 2.4044037607686097
Energy: 1.9723071501728549
Energy: 2.404403760769711
Energy: 2.040506459894212
Energy: 2.4044037607686097
Energy: 2.0364825544841527
Energy: 2.2573652763154977
Energy: 2.0725164475384266
Energy: 2.2573652763154977
Energy: 2.0364825544841527
Energy: 2.2573652763154977
Energy: 2.166862882350002
Energy: 2.0585396177949526
Energy: 1.9699866487531654
Energy: 2.05853961779165
Energy: 2.166862882350002
Energy: 2.058539617792751
Energy: 1.994369075474689
Energy: 2.0939286537985558
Energy: 2.0135610119372
Energy: 2.0939286537941517
Energy: 1.9943690754768906
Energy: 2.0939286537941517
Energy: 1.9940726208756938
Energy: 2.0625148922849244
Energy: 2.0862635679235453
Energy: 2.0625148922816217
Energy: 1.9940726208756938
Energy: 2.0625148922805203
Energy: 1.9941677465093737
Energy: 2.055805846754278
Energy: 2.0771140736079734
Energy: 2.0558058467553786
Energy: 1.9941677465071717
Energy: 2.0558058467553786
Energy: 1.9937093541123327
Energy: 2.064069826878811
Energy: 2.0685067407769906
Energy: 2.064069826881013
Energy: 1.993709354110131
Energy: 2.064069826881013
Energy: 2.1666607049772755
Energy: 2.0584852861836374
Energy: 1.969146260804087
Energy: 2.0584852861836374
Energy: 2.1666607049772755
Energy: 2.0584852861836374
Energy: 2.036624558235855
Energy: 2.29231911293839
Energy: 2.080553053892474
Energy: 2.29231911293839
Energy: 2.036624558236956
Energy: 2.29231911293839
Energy: 2.0367351875660478
Energy: 2.2949989680533194
Energy: 2.0844301683243707
Energy: 2.294998968058824
Energy: 2.036735187569351
Energy: 2.294998968058824
Energy: 2.234525014119737
Energy: 2.2406560808205533
Energy: 1.9733722892976011
Energy: 2.2406560808150986
Energy: 2.234525014119737
Energy: 2.2406560808150986
Energy: 1.9935489544826546
Energy: 2.060969822606352
Energy: 2.085654014537129
Energy: 2.0609698226041497
Energy: 1.9935489544848566
Energy: 2.060969822606352
Energy: 1.9939139175864755
Energy: 2.1880034853534163
Energy: 1.9714082531409387
Energy: 2.188003485351215
Energy: 1.9939139175864755
Energy: 2.188003485351215
Energy: 1.99339342378678
Energy: 2.061854813823596
Energy: 2.0715444698084187
Energy: 2.061854813823596
Energy: 1.9933934237889819
Energy: 2.061854813823596

minimum gb energy = 1.969146260804087 eV
minimum distance =  2.34835511385198 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.1967579232897276
Energy: 2.079670107858389
Energy: 2.3980414480227235
Energy: 2.0796701078574613
Energy: 2.1967579232897276
Energy: 2.079670107858389
Energy: 2.044233460723672
Energy: 2.0483890935753193
Energy: 2.049934445285693
Energy: 2.048389093574391
Energy: 2.0442334607227433
Energy: 2.048389093574391
Energy: 2.0453105420267783
Energy: 2.044632801669656
Energy: 2.053382295636042
Energy: 2.0446328016705837
Energy: 2.0453105420267783
Energy: 2.0446328016705837
Energy: 2.0349263920503864
Energy: 2.1340810352900075
Energy: 2.0809160030423843
Energy: 2.1340810352881507
Energy: 2.0349263920503864
Energy: 2.1340810352881507
Energy: 2.043910511412531
Energy: 2.2520098803408577
Energy: 2.037558761254697
Energy: 2.2520098803399295
Energy: 2.043910511413459
Energy: 2.2520098803399295
Energy: 2.0442394298780586
Energy: 2.049492893408137
Energy: 2.0517076991375176
Energy: 2.049492893406281
Energy: 2.044239429877131
Energy: 2.049492893406281
Energy: 2.0381259258328828
Energy: 2.161048221004714
Energy: 2.0378942739891537
Energy: 2.1610482210056423
Energy: 2.0381259258328828
Energy: 2.161048221004714
Energy: 2.039642539610258
Energy: 2.1796279634518787
Energy: 2.0380085810599637
Energy: 2.179627963450023
Energy: 2.03964253960933
Energy: 2.1796279634509514
Energy: 2.109863355871256
Energy: 2.2087889489013826
Energy: 2.046239225947802
Energy: 2.2087889489023103
Energy: 2.109863355873112
Energy: 2.2087889489023103
Energy: 2.045831867206602
Energy: 2.3786673097610116
Energy: 2.1643296536330063
Energy: 2.3786673097610116
Energy: 2.045831867206602
Energy: 2.3786673097610116
Energy: 2.045844805142385
Energy: 2.3786734662904405
Energy: 2.164412266214504
Energy: 2.3786734662904405
Energy: 2.0458448051433127
Energy: 2.3786734662904405
Energy: 2.1098596218679475
Energy: 2.1415352061045403
Energy: 2.0463199633994154
Energy: 2.1415352061026844
Energy: 2.1098596218679475
Energy: 2.1415352061026844
Energy: 2.039323299767101
Energy: 2.1796187380136574
Energy: 2.0384120003178134
Energy: 2.179618738014585
Energy: 2.039323299767101
Energy: 2.1796187380136574
Energy: 2.0380875800682414
Energy: 2.1610179017547977
Energy: 2.0378787841392345
Energy: 2.1610179017547977
Energy: 2.0380875800709837
Energy: 2.1610179017547977
Energy: 2.044242392563173
Energy: 2.0473116907754703
Energy: 2.0516116678850196
Energy: 2.047311690776399
Energy: 2.044242392563173
Energy: 2.0473116907754703
Energy: 2.0438178409393526
Energy: 2.2520098803399295
Energy: 2.037767654122918
Energy: 2.2520098803417854
Energy: 2.0438178409393526
Energy: 2.2520098803408577
Energy: 2.0349226851871562
Energy: 2.134081250692784
Energy: 2.0767071968581035
Energy: 2.134081250692784
Energy: 2.034922685185301
Energy: 2.134081250692784
Energy: 2.045296960087609
Energy: 2.0439708727843096
Energy: 2.050046991377736
Energy: 2.0439708727833814
Energy: 2.045296960087609
Energy: 2.0439708727833814
Energy: 2.0491212115510353
Energy: 2.0487127643928074
Energy: 2.050957282860026
Energy: 2.048712764393735
Energy: 2.049121211549179
Energy: 2.0487127643928074
Energy: 2.1967579232897276
Energy: 2.0796701078574613
Energy: 2.2251757748019774
Energy: 2.079670107858389
Energy: 2.1967579232897276
Energy: 2.0796701078574613
Energy: 2.0442334607227433
Energy: 2.048389093574391
Energy: 2.049934445283837
Energy: 2.048389093574391
Energy: 2.044233460721815
Energy: 2.0483890935753193
Energy: 2.045310542027706
Energy: 2.044632801671512
Energy: 2.05338229563697
Energy: 2.044632801669656
Energy: 2.0453105420267783
Energy: 2.0446328016705837
Energy: 2.0349263920503864
Energy: 2.1340810352881507
Energy: 2.0809160030442406
Energy: 2.1340810352900075
Energy: 2.03492639204853
Energy: 2.1340810352900075
Energy: 2.043910511411603
Energy: 2.2520098803408577
Energy: 2.037558761253769
Energy: 2.2520098803408577
Energy: 2.043910511411603
Energy: 2.252009880342714
Energy: 2.0442394298789868
Energy: 2.049492893406281
Energy: 2.051707699136589
Energy: 2.049492893408137
Energy: 2.044239429877131
Energy: 2.0494928934072094

minimum gb energy = 2.034922685185301 eV
minimum distance =  2.3758020479648 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.359197251275307
Energy: 2.0783040964445623
Energy: 2.3859530366114017
Energy: 2.078304096446164
Energy: 2.359197251275307
Energy: 2.078304096446164
Energy: 1.9879734137991256
Energy: 2.040577947281867
Energy: 2.0202920684385073
Energy: 2.0405779472906787
Energy: 1.987973413800728
Energy: 2.0405779472938828
Energy: 2.025005811609195
Energy: 2.201245522666355
Energy: 2.0203638881865738
Energy: 2.2012455226671563
Energy: 2.025005811609195
Energy: 2.201245522667957
Energy: 2.048767626398439
Energy: 2.2228967623892744
Energy: 1.999786522507834
Energy: 2.222896762390075
Energy: 2.048767626397638
Energy: 2.222896762390075
Energy: 1.9764321234319886
Energy: 1.9997153557647092
Energy: 1.999148131597924
Energy: 1.9997153557647092
Energy: 1.9764321234303859
Energy: 1.9997153557631067
Energy: 2.026451612363277
Energy: 2.1153268394120697
Energy: 1.999686579726506
Energy: 2.1153268394128713
Energy: 2.026451612362476
Energy: 2.1153268394128713
Energy: 2.030070227899982
Energy: 2.2211377647151793
Energy: 1.9994438058486783
Energy: 2.221137764715981
Energy: 2.030070227900783
Energy: 2.221137764715981
Energy: 1.988941256848712
Energy: 2.1345913278909228
Energy: 1.9997071932852617
Energy: 2.134591327890122
Energy: 1.988941256848712
Energy: 2.1345913278909228
Energy: 2.0305776423023625
Energy: 2.2019146124004947
Energy: 2.1399499530054285
Energy: 2.2019146123972906
Energy: 2.030577642303164
Energy: 2.2019146123972906
Energy: 1.9896589459674183
Energy: 2.1939191287949416
Energy: 2.0191753715528757
Energy: 2.193919128796544
Energy: 1.9896589459682197
Energy: 2.1939191287997484
Energy: 1.9828871127000058
Energy: 2.222972528647409
Energy: 2.0438450494964173
Energy: 2.222972528647409
Energy: 1.9828871126992051
Energy: 2.2229725286466087
Energy: 2.120441458643822
Energy: 2.075784003032136
Energy: 2.0195012635522236
Energy: 2.07578400303534
Energy: 2.120441458643022
Energy: 2.075784003034539
Energy: 2.120313964904399
Energy: 2.075774402004236
Energy: 2.019401667103696
Energy: 2.0757744020050373
Energy: 2.1203139649052
Energy: 2.0757744020050373
Energy: 2.0243477632641746
Energy: 2.2214527122526144
Energy: 2.113882058654794
Energy: 2.221452712256619
Energy: 2.024347763262572
Energy: 2.221452712256619
Energy: 1.9895692226500066
Energy: 2.2049974485792667
Energy: 2.0201469586258733
Energy: 2.2049974485768633
Energy: 1.9895692226508075
Energy: 2.2049974485776644
Energy: 1.9766276484144354
Energy: 2.1537206755616665
Energy: 2.0225709266346605
Energy: 2.1537206755608658
Energy: 1.9766276484128333
Energy: 2.1537206755616665
Energy: 2.0258588204890655
Energy: 2.1342832410628194
Energy: 2.020973006332002
Energy: 2.134283241058013
Energy: 2.0258588204874632
Energy: 2.1342832410588137
Energy: 1.9765458443547121
Energy: 2.1054442306923433
Energy: 2.0195319629514334
Energy: 2.105444230688338
Energy: 1.9765458443523087
Energy: 2.1054442306899404
Energy: 2.026203117880503
Energy: 2.13438688337948
Energy: 2.020965177820051
Energy: 2.1343868833770774
Energy: 2.0262031178789006
Energy: 2.1343868833770774
Energy: 1.9766114620738793
Energy: 2.1536490572545066
Energy: 2.0225578286614216
Energy: 2.153649057253706
Energy: 1.976611462072277
Energy: 2.153649057253706
Energy: 1.9823387994064705
Energy: 2.2048649970543868
Energy: 2.0201230588444465
Energy: 2.204864997055187
Energy: 1.9823387994064705
Energy: 2.2048649970543868
Energy: 2.0243147373458488
Energy: 2.221420058953505
Energy: 2.1138212242480057
Energy: 2.221420058954306
Energy: 2.0243147373458488
Energy: 2.221420058954306
Energy: 2.120327733454132
Energy: 2.0759373543835506
Energy: 2.019390195674353
Energy: 2.0759373543827495
Energy: 2.1203277334533315
Energy: 2.0759373543819484
Energy: 2.1204337984739836
Energy: 2.075728449002672
Energy: 2.019427484115892
Energy: 2.07572844900107
Energy: 2.1204337984715806
Energy: 2.07572844900107
Energy: 1.9829323041776894
Energy: 2.2229709538940003
Energy: 2.019361843540566
Energy: 2.2229709538940003
Energy: 1.9829323041776894
Energy: 2.222970953894801
Energy: 1.9896374743595997
Energy: 2.1938116441289726
Energy: 2.0191964641550832
Energy: 2.1938116441273703
Energy: 1.9896374743612018
Energy: 2.1938116441273703
Energy: 2.030567203759535
Energy: 2.20174936760896
Energy: 2.1698763416617717
Energy: 2.201749367604955
Energy: 2.030567203760336
Energy: 2.201749367604955
Energy: 1.9889410468994686
Energy: 2.134559126189421
Energy: 1.9997887697337786
Energy: 2.1345591261942274
Energy: 1.988941046898668
Energy: 2.1345591261942274
Energy: 2.0301211710051987
Energy: 2.221137764717583
Energy: 1.999362103114356
Energy: 2.221137764717583
Energy: 2.0301211710043976
Energy: 2.221137764717583

minimum gb energy = 1.9764321234303859 eV
minimum distance =  2.31981125266043 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.508568036691349
Energy: 2.1619781532013578
Energy: 2.1195402574546724
Energy: 2.1619781532020625
Energy: 2.508568036691349
Energy: 2.1619781532020625
Energy: 2.0309084220035687
Energy: 2.09259467761868
Energy: 2.0053582370133864
Energy: 2.092594677617976
Energy: 2.0309084220042726
Energy: 2.0925946776172717
Energy: 1.971808730544989
Energy: 2.09716132152847
Energy: 2.0027725982254
Energy: 2.09716132152847
Energy: 1.971808730544989
Energy: 2.09716132152847
Energy: 1.9417518898767534
Energy: 2.216154831829556
Energy: 1.9519444158343577
Energy: 2.184954544814546
Energy: 1.9417518898760493
Energy: 2.190986083404492
Energy: 1.9435681920333785
Energy: 1.9543103540144684
Energy: 1.9544340319341007
Energy: 1.9543103540137639
Energy: 1.943568192034787
Energy: 1.9543103540137639
Energy: 1.9933841322285208
Energy: 2.135841917780283
Energy: 1.986318136425711
Energy: 2.1358419177809878
Energy: 1.9933841322285208
Energy: 2.1358419177809878
Energy: 1.9486365689146121
Energy: 2.209379927031517
Energy: 1.96492434943152
Energy: 2.209379927031517
Energy: 1.9486365689146121
Energy: 2.209379927032221
Energy: 1.9522934491979216
Energy: 2.183482568242501
Energy: 1.9540228167357248
Energy: 2.145512880922061
Energy: 1.952293449198626
Energy: 2.2093458404766633
Energy: 1.9433944253544866
Energy: 2.13559987126887
Energy: 1.9932532337877247
Energy: 2.1355998712674613
Energy: 1.9433944253530784
Energy: 2.1355998712681656
Energy: 1.9426531990551643
Energy: 2.137582141167779
Energy: 1.9431139709668865
Energy: 2.137582141167075
Energy: 1.9426531990565727
Energy: 2.137582141167075
Energy: 2.0728843326366504
Energy: 2.143873346500465
Energy: 2.1600736445179343
Energy: 2.143873346500465
Energy: 2.072884332638764
Energy: 2.143873346500465
Energy: 2.0055082760962373
Energy: 2.0783561245049733
Energy: 1.9432279323550923
Energy: 2.0783561245035647
Energy: 2.0055082760962373
Energy: 2.0783561245035647
Energy: 2.002730008970052
Energy: 2.097608478014779
Energy: 1.9415719900838495
Energy: 2.097608478014779
Energy: 2.002730008970052
Energy: 2.097608478014779
Energy: 1.9497365783044045
Energy: 2.024536129024352
Energy: 2.0546609471531316
Energy: 2.042731634012687
Energy: 1.9497365783044045
Energy: 2.0245361290236477
Energy: 1.9874136223377763
Energy: 2.220925479412371
Energy: 2.0290512875071185
Energy: 2.220925479412371
Energy: 1.9874136223377763
Energy: 2.220925479411667
Energy: 2.0031761333712743
Energy: 2.096816487279911
Energy: 1.9719300894414036
Energy: 2.096816487280615
Energy: 2.0031761333712743
Energy: 2.096816487279911
Energy: 1.965059345329462
Energy: 2.184996388643136
Energy: 1.9414178726846172
Energy: 2.184996388643136
Energy: 1.965059345329462
Energy: 2.1849963886410237
Energy: 1.954381222020781
Energy: 2.089464633123274
Energy: 1.9415710435761933
Energy: 2.0894646331225695
Energy: 1.954381222020781
Energy: 2.0894646331218656
Energy: 1.9681479564946158
Energy: 2.1356651074230113
Energy: 1.9932458059501803
Energy: 2.1356651074237156
Energy: 1.9681479564946158
Energy: 2.1356651074237156
Energy: 1.96513828798082
Energy: 2.20883194387122
Energy: 1.9428157918957816
Energy: 2.20883194387122
Energy: 1.96513828798082
Energy: 2.208831943870516
Energy: 2.037124691520685
Energy: 2.090291459772912
Energy: 1.9540554932163208
Energy: 2.090291459772912
Energy: 2.037124691519277
Energy: 2.090291459773616
Energy: 1.9860766165397437
Energy: 2.1422709897824803
Energy: 1.9424726614578651
Energy: 2.1422709897824803
Energy: 1.9860766165390393
Energy: 2.1422709897824803
Energy: 1.968680512823284
Energy: 2.146943640163487
Energy: 1.9434179573970358
Energy: 2.146943640163487
Energy: 1.9686805128225802
Energy: 2.146943640164191
Energy: 1.9417273594893394
Energy: 2.08945593708996
Energy: 2.0721680970535568
Energy: 2.089455937090664
Energy: 1.9417273594907478
Energy: 2.089455937090664
Energy: 1.9431670450073377
Energy: 2.0689268503466542
Energy: 1.9871120083074088
Energy: 2.0689268503452456
Energy: 1.9431670450073377
Energy: 2.06892685034595
Energy: 1.9432006716662191
Energy: 2.096848431536767
Energy: 2.0035549444907286
Energy: 2.0968484315374707
Energy: 1.9432006716662191
Energy: 2.096848431536767
Energy: 2.0563901411274506
Energy: 2.0244360050738686
Energy: 1.9650022299921839
Energy: 2.0244360050731642
Energy: 2.056390141126042
Energy: 2.0244360050731642
Energy: 2.0547484034288828
Energy: 1.9868433672411936
Energy: 1.9651835960992032
Energy: 1.9868433672404895
Energy: 2.0547484034302914
Energy: 1.9868433672404895
Energy: 1.9712175835470653
Energy: 2.096765763867463
Energy: 2.2006110587044305
Energy: 2.0967657638660553
Energy: 1.9712175835463612
Energy: 2.096765763866759
Energy: 1.941676309269633
Energy: 1.945152940418734
Energy: 1.9650176570828848
Energy: 1.945152940419438
Energy: 1.941676309269633
Energy: 1.945152940418734
Energy: 1.9415246628099316
Energy: 1.9542904020565792
Energy: 2.002355149324247
Energy: 1.954290402055171
Energy: 1.9415246628113398
Energy: 1.9542904020565792
Energy: 1.9429570295816536
Energy: 2.1451715605368764
Energy: 1.9858498596719993
Energy: 2.1451715605368764
Energy: 1.9429570295816536
Energy: 2.1451715605368764
Energy: 1.9432269898678798
Energy: 2.144571955927066
Energy: 1.942269913061598
Energy: 2.144571955927066
Energy: 1.9432269898678798
Energy: 2.14457195592777

minimum gb energy = 1.9414178726846172 eV
minimum distance =  2.32570346898417 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.019910156698159293
Energy: 0.021189943649543387
Energy: 0.021189943649543387
Energy: 0.021189943650681033
Energy: 0.019910156698159293
Energy: 0.021189943649543387
Energy: 0.02018508341831101
Energy: 1.4495799367316455
Energy: 0.02018508341886358
Energy: 1.4495799367316455
Energy: 0.02018508341886358
Energy: 1.4495799367327833
Energy: 1.4495799367327833
Energy: 0.021189943649543387
Energy: 0.019910156698159293
Energy: 0.02118994365012846
Energy: 0.02118994365012846
Energy: 0.02118994365012846
Energy: 0.02018508341886358
Energy: 1.4495799367316455
Energy: 0.02018508341886358
Energy: 1.4495799367316455
Energy: 0.02018508341886358
Energy: 1.4495799367316455

minimum gb energy = 0.019910156698159293 eV
minimum distance =  2.66105028297759 Angstroms
sigma value = 1