Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.2424328714365185
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 5.017840978258259e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016398323951298047
Energy: 0.10642759402409616
Energy: 1.0694346878913177
Energy: 0.01700309645077478
Energy: 0.10642759402472474
Energy: 1.1989345170317336
Energy: 0.01700309645077478
Energy: 1.198934517031105
Energy: 1.069434687891946
Energy: 0.01700309645077478
Energy: 0.016398323951298047
Energy: 0.10642759402350252
Energy: 0.017003096451368434
Energy: 1.198934517031105
Energy: 0.10642759402472474
Energy: 1.1989345170452477

minimum gb energy = 0.016398323951298047 eV
minimum distance =  2.51443195814446 Angstroms
sigma value = 1


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

Energy: 1.00981449672763
Energy: 0.8305198186307147
Energy: 0.8324365056519542
Energy: 0.7870993727653757
Energy: 0.8463579015361469
Energy: 0.870089892128671
Energy: 0.8469896250142146
Energy: 0.8700898921279087
Energy: 0.8176805710151154
Energy: 0.8143202362757387
Energy: 0.857408046104808
Energy: 0.8143202362726895
Energy: 0.8465600276036335
Energy: 0.8506898660185439
Energy: 0.8468013522016339
Energy: 0.8506898660215932
Energy: 0.922808284302268
Energy: 0.8489530836462368
Energy: 0.8476715723700262
Energy: 0.8489530836454745
Energy: 0.8459705899058462
Energy: 0.9945302796863154
Energy: 0.8471230542811681
Energy: 0.9945302796886023
Energy: 0.8465594741181072
Energy: 0.9960131744231906
Energy: 0.9196353707236643
Energy: 0.9960131744231906
Energy: 0.9211882713838017
Energy: 1.073139636073012
Energy: 0.8543318838199218
Energy: 1.073139636073012
Energy: 0.8542705066885755
Energy: 1.0693036801181337
Energy: 0.8524039518987222
Energy: 1.0693036801181337
Energy: 0.9168019809389569
Energy: 1.0690094981671112
Energy: 0.9270234876786728
Energy: 1.0690094981671112
Energy: 0.9158067764200507
Energy: 1.0687191121309547
Energy: 0.8541252336603363
Energy: 1.0687191121309547
Energy: 0.9208203086532588
Energy: 1.067413905898141
Energy: 0.8556011912588887
Energy: 1.0674139058996652
Energy: 0.8468628599221738
Energy: 0.9966077448806437
Energy: 0.9156486542693183
Energy: 0.9966077448814059
Energy: 0.8473671692325445
Energy: 0.9960967191163831
Energy: 0.9131138325349307
Energy: 0.9960967191171453
Energy: 0.9186124466391318
Energy: 0.8479844773924564
Energy: 0.8471883122577452
Energy: 0.8479844773924564
Energy: 0.8473802847554737
Energy: 0.8483424372755141
Energy: 0.8461798340394383
Energy: 0.8483424372755141
Energy: 0.8155179780125277
Energy: 0.8134298647369562
Energy: 0.7849845631107061
Energy: 0.8134298647377185
Energy: 0.8466477759768216
Energy: 0.8469447258796072
Energy: 0.9077618422626584
Energy: 0.8469447258788451
Energy: 0.8578336905608823
Energy: 0.8187468616339433
Energy: 0.8201822571312595
Energy: 0.818746861633181
Energy: 0.8486486076405523
Energy: 0.8466189491140071
Energy: 0.846280169295579
Energy: 0.8466189491140071
Energy: 0.8494481825276992
Energy: 0.8465943826502792
Energy: 0.9226411468331454
Energy: 0.8465943826502792
Energy: 0.8465024328318789
Energy: 0.8491924575106538
Energy: 0.8456316755332459
Energy: 0.8491924575106538
Energy: 0.9197448498014664
Energy: 0.9967430051347097
Energy: 0.9140477374654639
Energy: 0.9967430051339474
Energy: 0.8535598215348748
Energy: 0.9952506083134345
Energy: 0.9237205607833732
Energy: 0.9952506083126722
Energy: 0.8527939201890967
Energy: 1.0702798048804858
Energy: 0.8545774898229475
Energy: 1.0702798048797235
Energy: 0.929478381348232
Energy: 1.0680277536792164
Energy: 0.9193396398589025
Energy: 1.0680277536792164
Energy: 0.854055650582331
Energy: 1.0698727678990168
Energy: 0.9154878655388925
Energy: 1.069872767897492
Energy: 0.9132020954465818
Energy: 1.068233428043377
Energy: 0.9219882780930397
Energy: 1.068233428043377
Energy: 0.9152729762157561
Energy: 0.997256075979197
Energy: 0.8471199905652715
Energy: 0.9972560759784347
Energy: 0.9128086835018285
Energy: 0.9996017866582433
Energy: 0.8478511742125577
Energy: 0.9996017866582433
Energy: 0.848342136442628
Energy: 0.847913793502619
Energy: 0.9189087386028054
Energy: 0.847913793502619
Energy: 0.8462019302137199
Energy: 0.847455886258333
Energy: 0.8481425463352175
Energy: 0.8474558862590954
Energy: 0.7863715168215322
Energy: 0.813466866191961
Energy: 0.8147637762778152
Energy: 0.8134668661904364

minimum gb energy = 0.7849845631107061 eV
minimum distance =  2.28243674199939 Angstroms
sigma value = 1


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

Energy: 1.9325152717952598
Energy: 0.8864027728693314
Energy: 0.888565947068034
Energy: 0.8395765480303355
Energy: 0.9078245929570908
Energy: 0.9286156220786085
Energy: 0.9081691288750531
Energy: 0.9286156220786085
Energy: 0.8707119854618706
Energy: 0.8681771372519805
Energy: 0.9853093264504732
Energy: 0.868177137254588
Energy: 0.9064294678822838
Energy: 0.9102399107357185
Energy: 0.9079159361957042
Energy: 0.9102399107374568
Energy: 0.9124713603798473
Energy: 0.9086297150808401
Energy: 0.9075978630448878
Energy: 0.9086297150834478
Energy: 0.9071281341159786
Energy: 1.089531355406758
Energy: 0.9079769226860597
Energy: 1.0895313554058887
Energy: 0.9070407945535325
Energy: 1.0748235531328263
Energy: 0.9129403533484947
Energy: 1.0748235531328263
Energy: 0.9914035263800007
Energy: 1.0743124661432149
Energy: 0.9734017225706902
Energy: 1.0743124661458223
Energy: 0.9122377393913641
Energy: 1.1435258445634806
Energy: 0.8348469695159235
Energy: 1.1435258445634806
Energy: 0.9123979513512995
Energy: 1.1431575777750742
Energy: 0.991620641487276
Energy: 1.1431575777759433
Energy: 0.9775253750349854
Energy: 1.078795038208111
Energy: 0.9065628264671839
Energy: 1.0787950382115878
Energy: 0.9796892568607655
Energy: 1.0743288584811452
Energy: 0.908543481574296
Energy: 1.0743288584820145
Energy: 0.9086959446399395
Energy: 0.910512228874574
Energy: 0.9816120088553139
Energy: 0.9105122288754431
Energy: 0.9073548330556087
Energy: 0.9111821425607189
Energy: 0.9035563894434683
Energy: 0.9111821425615881
Energy: 0.8358074497464044
Energy: 0.8658616709293294
Energy: 0.8691408536121124
Energy: 0.8658616709328063
Energy: 0.9777514200842913
Energy: 0.9075163433498092
Energy: 0.9077816142737198
Energy: 0.9075163433480707
Energy: 0.8726300375157868
Energy: 0.8720157276453704
Energy: 0.9159841917612922
Energy: 0.8720157276479779
Energy: 0.9066261959779697
Energy: 0.9074528912774054
Energy: 0.9092630776026265
Energy: 0.9074528912782747
Energy: 0.9805856834788876
Energy: 0.9076186235378557
Energy: 0.9088432685230359
Energy: 0.9076186235395941
Energy: 0.9066669069327045
Energy: 0.9103788485637309
Energy: 0.9083247668257226
Energy: 0.9103788485637309
Energy: 0.9074356832228787
Energy: 1.0746664683315938
Energy: 0.9126673653447461
Energy: 1.0746664683281169
Energy: 0.9899970271239074
Energy: 1.074314130011102
Energy: 0.9106035276212858
Energy: 1.0743141300137096
Energy: 0.9131360639659364
Energy: 1.1445219473696124
Energy: 0.8361788008719421
Energy: 1.1445219473696124
Energy: 0.910040308733568
Energy: 1.1428426399990965
Energy: 0.9854419841329161
Energy: 1.142842639996489
Energy: 0.9775267628743252
Energy: 1.0755918817456391
Energy: 0.90672899406724
Energy: 1.075591881743901
Energy: 0.9798238915474522
Energy: 1.0735349878178357
Energy: 0.9092833857993631
Energy: 1.0735349878187048
Energy: 0.9089482136869695
Energy: 0.910370085566859
Energy: 0.9812428820173908
Energy: 0.9103700855677284
Energy: 0.9076352579361266
Energy: 0.9102955250942634
Energy: 0.9049063168204559
Energy: 0.9102955250951326
Energy: 0.8361893200265939
Energy: 0.9075421914787504
Energy: 0.8673415878806985
Energy: 0.9075421914796195

minimum gb energy = 0.8348469695159235 eV
minimum distance =  2.25521629035412 Angstroms
sigma value = 25


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

Energy: 1.832544561543291
Energy: 0.9547708182058627
Energy: 0.9554122256145428
Energy: 0.9006094381571913
Energy: 0.9821058214957371
Energy: 0.9983348584413129
Energy: 0.9811353071843167
Energy: 0.9983348584413129
Energy: 0.9300091751841288
Energy: 0.9292090450060384
Energy: 0.9893825275012595
Energy: 0.9292090450070488
Energy: 0.9804075465239587
Energy: 0.9833232143282878
Energy: 0.9815052600138653
Energy: 0.9833232143282878
Energy: 0.9823180357498104
Energy: 0.9840026406043366
Energy: 0.9817204763731319
Energy: 0.984002640605347
Energy: 0.9807628215486588
Energy: 1.1803870726832144
Energy: 0.9825164112470166
Energy: 1.180387072682204
Energy: 0.9806040375860732
Energy: 1.1723008003761721
Energy: 0.9825491311335168
Energy: 1.1723008003771827
Energy: 1.076136332549029
Energy: 1.1686198245655814
Energy: 1.0451663242223757
Energy: 1.1686198245665917
Energy: 0.9805483220741845
Energy: 1.1709742010323387
Energy: 0.8961925649774563
Energy: 1.1709742010323387
Energy: 0.9817001782900971
Energy: 1.1737466943265362
Energy: 0.9819777043010844
Energy: 1.1737466943275463
Energy: 1.0478247454112568
Energy: 0.9832936991942351
Energy: 0.9817976033256189
Energy: 0.9832936991942351
Energy: 0.9741132655632133
Energy: 0.9828445507558845
Energy: 0.9819785331666377
Energy: 0.9828445507558845
Energy: 0.9319060236470486
Energy: 0.929803778814632
Energy: 1.0556329478553665
Energy: 0.9298037788136218
Energy: 0.9816115624042455
Energy: 0.9809315287951107
Energy: 1.0650096277772718
Energy: 0.9809315287941002
Energy: 0.9875478915192819
Energy: 0.9359058661548834
Energy: 0.9382925453066303
Energy: 0.935905866153873
Energy: 1.016460261703083
Energy: 0.9809570297936159
Energy: 0.9286583963873365
Energy: 0.9809570297946263
Energy: 0.9827622874449182
Energy: 0.9817526103633938
Energy: 0.9815946749881881
Energy: 0.9817526103633938
Energy: 0.9824597268212419
Energy: 0.9816940773513965
Energy: 0.981267898175045
Energy: 0.9816940773513965
Energy: 0.9821678630342638
Energy: 1.1714506002445246
Energy: 0.9808403721780077
Energy: 1.1714506002465455
Energy: 0.9096975047033917
Energy: 1.170834943313324
Energy: 0.981254794563892
Energy: 1.1708349433143346
Energy: 0.8929046916241224
Energy: 1.1739069547788672
Energy: 0.9800039138244709
Energy: 1.173906954780888
Energy: 0.9869726780933705
Energy: 1.174403879215807
Energy: 0.9807751195958969
Energy: 1.174403879215807
Energy: 0.9828631061201517
Energy: 0.9835382874507572
Energy: 1.0485596722697568
Energy: 0.9835382874507572
Energy: 0.9819236638440293
Energy: 0.9820105001175337
Energy: 0.9737480332848519
Energy: 0.9820105001175337
Energy: 0.8969086446801599
Energy: 0.9806870488965493
Energy: 0.931023701282005
Energy: 0.980687048895539

minimum gb energy = 0.8929046916241224 eV
minimum distance =  2.25672881163391 Angstroms
sigma value = 9


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

Energy: 1.148952786472107
Energy: 1.01212018862325
Energy: 1.04566221054388
Energy: 1.0006916680627997
Energy: 1.0259553884925683
Energy: 1.090677853984832
Energy: 1.0503000483066685
Energy: 1.090677853984832
Energy: 1.0160940608885591
Energy: 1.0168837172767935
Energy: 1.0362697705463362
Energy: 1.0168837172767935
Energy: 1.015512373759481
Energy: 1.1932075631429349
Energy: 1.061540362904029
Energy: 1.1932075631441401
Energy: 1.0323398222180407
Energy: 1.084193097246562
Energy: 1.0831894471937835
Energy: 1.084193097246562
Energy: 1.0850056549982428
Energy: 1.3391685206616724
Energy: 1.0570396485356337
Energy: 1.3391685206628776
Energy: 1.1456175568228726
Energy: 1.2866681270024962
Energy: 1.0710733128340055
Energy: 1.2866681270024962
Energy: 1.1535082635004947
Energy: 1.2875923519610648
Energy: 1.071526635649923
Energy: 1.2875923519610648
Energy: 1.1506580484794333
Energy: 1.1513159239036739
Energy: 0.9951443342433215
Energy: 1.1513159239036739
Energy: 1.1433283784133053
Energy: 1.196795537466547
Energy: 1.0187825905555958
Energy: 1.196795537466547
Energy: 1.058749060938072
Energy: 0.9749219941660064
Energy: 0.9756174992544379
Energy: 0.9749219941671844
Energy: 1.0725032056422332
Energy: 0.9621056565604298
Energy: 0.9751877719009294
Energy: 0.9621056565604298
Energy: 1.075981637929878
Energy: 1.0779202088308941
Energy: 1.0374857712548606
Energy: 1.0779202088200461
Energy: 1.0768714611764247
Energy: 1.191474983248601
Energy: 1.0771605992890867
Energy: 1.1914749832498062
Energy: 1.078186916255554
Energy: 1.1115685228573282
Energy: 0.9755197157477714
Energy: 1.111568522856123
Energy: 1.1043775923923882
Energy: 1.1116040766860926
Energy: 0.9753300091060196
Energy: 1.111604076687298
Energy: 1.145475966508918
Energy: 1.3252615435572572
Energy: 1.1679898795690598
Energy: 1.325261543556052
Energy: 1.1456531625099586
Energy: 1.3262045513634309
Energy: 1.123057338198472
Energy: 1.3262045513634309
Energy: 1.0900775965582594
Energy: 1.0896957532839018
Energy: 0.9886290709059802
Energy: 1.0896957532839018
Energy: 1.0884195560105758
Energy: 1.0911574763128722
Energy: 0.9893737398825707
Energy: 1.0911574763116672
Energy: 0.9948108559179508
Energy: 1.0419205785498786
Energy: 1.01378635288617
Energy: 1.0419205785486731

minimum gb energy = 0.9621056565604298 eV
minimum distance =  2.25081049109479 Angstroms
sigma value = 25


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

Energy: 1.3400527431182352
Energy: 1.115374797659455
Energy: 1.1578565849147193
Energy: 1.0701073475414615
Energy: 1.126244854137618
Energy: 1.1436251216466864
Energy: 1.1245707168208587
Energy: 1.1436251216466864
Energy: 1.1135640383494916
Energy: 1.1130819658811713
Energy: 1.1172338680411056
Energy: 1.1130819658826618
Energy: 1.11147203918126
Energy: 1.1442936569829478
Energy: 1.0876626245068817
Energy: 1.1442936569829478
Energy: 1.0899853041081993
Energy: 1.2627251653594678
Energy: 1.0881154735107024
Energy: 1.2627251653594678
Energy: 1.0607082677186783
Energy: 1.2620360973492126
Energy: 1.0876314670360956
Energy: 1.2620360973492126
Energy: 1.0570674410860432
Energy: 1.262282978316791
Energy: 1.0904258323061122
Energy: 1.262282978316791
Energy: 1.0573800084209604
Energy: 1.2626365758199876
Energy: 1.0917995356935541
Energy: 1.262636575821478
Energy: 1.1140003112454118
Energy: 1.1141595330732703
Energy: 1.1575724340242182
Energy: 1.1141595330732703
Energy: 1.1246351948966824
Energy: 1.112463442475898
Energy: 1.157023938126166
Energy: 1.112463442475898
Energy: 1.1175191129715454
Energy: 1.112229212260549
Energy: 1.1268575202192053
Energy: 1.112229212260549
Energy: 1.1187735146969473
Energy: 1.0612606508440163
Energy: 1.1134208144339024
Energy: 1.0612606508440163
Energy: 1.0878500810074818
Energy: 1.2692119354201719
Energy: 1.0904793169472826
Energy: 1.2692119354201719
Energy: 1.0879944575387612
Energy: 1.2628518389734869
Energy: 1.0625058737072857
Energy: 1.2628518389749772
Energy: 1.08835477604598
Energy: 1.2619802833441778
Energy: 1.0567075203001417
Energy: 1.2619802833441778
Energy: 1.0876676287112035
Energy: 1.261955970793855
Energy: 1.0570343950903494
Energy: 1.261955970793855
Energy: 1.1567436848708628
Energy: 1.113925985004475
Energy: 1.1124998723236907
Energy: 1.113925985005966

minimum gb energy = 1.0567075203001417 eV
minimum distance =  2.28575727629987 Angstroms
sigma value = 17


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

Energy: 2.041748413383737
Energy: 1.195735171498304
Energy: 1.2464882597048255
Energy: 1.1681942084996415
Energy: 1.2383013203309479
Energy: 1.3445068941024103
Energy: 1.214443626626002
Energy: 1.344506894101566
Energy: 1.1309036339970906
Energy: 1.1313082010859683
Energy: 1.1954549794456248
Energy: 1.1313082010842799
Energy: 1.1309129796871833
Energy: 1.3423878471355197
Energy: 1.1299007500979137
Energy: 1.3423878471363642
Energy: 1.2214612811000318
Energy: 1.39631796418078
Energy: 1.2658052706522127
Energy: 1.3963179641816241
Energy: 1.1326515005635167
Energy: 1.397876238618003
Energy: 1.1296904468867346
Energy: 1.397876238618003
Energy: 1.1563030919390316
Energy: 1.1300478104694787
Energy: 1.1334096867703274
Energy: 1.1300478104694787
Energy: 1.2254795008263029
Energy: 1.1298997043876748
Energy: 1.1570098045792363
Energy: 1.1298997043868306
Energy: 1.2152356207267423
Energy: 1.19234513091778
Energy: 1.2000147581397953
Energy: 1.192345130915247
Energy: 1.19374579911572
Energy: 1.1922413502916076
Energy: 1.2191192054215576
Energy: 1.1922413502924518
Energy: 1.2239820194152478
Energy: 1.1930864009426558
Energy: 1.1257599672150245
Energy: 1.1930864009426558
Energy: 1.191863107437718
Energy: 1.1925864330524136
Energy: 1.1877410133435542
Energy: 1.1925864330524136
Energy: 1.153293544635623
Energy: 1.1961224664899985
Energy: 1.1888406342805407
Energy: 1.1961224664916872
Energy: 1.153596958383106
Energy: 1.19361026474074
Energy: 1.125975394748538
Energy: 1.1936102647415843
Energy: 1.191681416168897
Energy: 1.19080192540468
Energy: 1.231249007633367
Energy: 1.19080192540468
Energy: 1.2162052664886112
Energy: 1.1909849095074445
Energy: 1.231132015239291
Energy: 1.1909849095091332
Energy: 1.1954850655557734
Energy: 1.1306588608629342
Energy: 1.1581927986114617
Energy: 1.1306588608629342
Energy: 1.195645948987786
Energy: 1.130406146680891
Energy: 1.1312535261237637
Energy: 1.130406146680891
Energy: 1.1302160435133985
Energy: 1.3963266947548005
Energy: 1.2239440746140389
Energy: 1.3963266947539563
Energy: 1.2744442899297117
Energy: 1.3990090620649815
Energy: 1.1340554476419435
Energy: 1.3990090620658255
Energy: 1.1319457629813874
Energy: 1.130607691693821
Energy: 1.2255635181799867
Energy: 1.130607691693821
Energy: 1.1590885229404049
Energy: 1.1573076007147485
Energy: 1.1562916523779099
Energy: 1.1573076007139043
Energy: 1.1771185634342245
Energy: 1.1919802593622972
Energy: 1.214804897597149
Energy: 1.1919802593622972
Energy: 1.2002114137882938
Energy: 1.1922656948494519
Energy: 1.1924334246893633
Energy: 1.1922656948494519
Energy: 1.1886425178291191
Energy: 1.1941657469418365
Energy: 1.192407302253242
Energy: 1.1941657469409923
Energy: 1.1877839794167742
Energy: 1.1932479725857805
Energy: 1.2233948689286067
Energy: 1.1932479725849363
Energy: 1.1250149847148168
Energy: 1.2701081806032288
Energy: 1.1550223932475348
Energy: 1.270108180606606
Energy: 1.1888231649935688
Energy: 1.192359721792193
Energy: 1.153553838855952
Energy: 1.192359721792193
Energy: 1.1898570461310147
Energy: 1.3418096117389335
Energy: 1.1533719969930043
Energy: 1.3418096117406217
Energy: 1.2317472444890816
Energy: 1.1922467893915494
Energy: 1.1910173198399416
Energy: 1.192246789390705

minimum gb energy = 1.1250149847148168 eV
minimum distance =  2.28851032906395 Angstroms
sigma value = 53


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

Energy: 1.8487856759206671
Energy: 1.178532275215879
Energy: 1.247668823424599
Energy: 1.1229845710849276
Energy: 1.1796762596950514
Energy: 1.1772056742835588
Energy: 1.1805042322879287
Energy: 1.1772056742835588
Energy: 1.177791132462655
Energy: 1.1788388452746463
Energy: 1.1986495968428201
Energy: 1.1788388452746463
Energy: 1.179573366184096
Energy: 1.1809907640105115
Energy: 1.1775855673946576
Energy: 1.1809907640124553
Energy: 1.197182993424472
Energy: 1.1805791214716062
Energy: 1.1052859550763996
Energy: 1.1805791214716062
Energy: 1.176792363764052
Energy: 1.181935030390102
Energy: 1.1054131083171745
Energy: 1.181935030390102
Energy: 1.2346312909194483
Energy: 1.1773659937958663
Energy: 1.1809602198678983
Energy: 1.1773659937958663
Energy: 1.2340958668308226
Energy: 1.1778096377678227
Energy: 1.1769894641757237
Energy: 1.1778096377678227
Energy: 1.1796574003605969
Energy: 1.178094513431257
Energy: 1.1998845677931251
Energy: 1.178094513431257
Energy: 1.1782826573839429
Energy: 1.1772199984988756
Energy: 1.1779539543878013
Energy: 1.1772199985008192
Energy: 1.197003803620953
Energy: 1.1831681215001997
Energy: 1.1060682340796943
Energy: 1.1831681215001997
Energy: 1.1799008886060325
Energy: 1.1803011280223583
Energy: 1.1089468231711512
Energy: 1.1803011280223583
Energy: 1.234320170555535
Energy: 1.1771048133643212
Energy: 1.1769705559302683
Energy: 1.1771048133662647

minimum gb energy = 1.1052859550763996 eV
minimum distance =  2.28661748923247 Angstroms
sigma value = 9


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

Energy: 1.3228282540623049
Energy: 1.2297886473483122
Energy: 1.3181411395087408
Energy: 1.1956454758390915
Energy: 1.2275232453828084
Energy: 1.1675369279393826
Energy: 1.3218668992590075
Energy: 1.1675369279365053
Energy: 1.1677149591457063
Energy: 1.1690520540360791
Energy: 1.2290170070250896
Energy: 1.1690520540353595
Energy: 1.171820225578756
Energy: 1.1689054313370815
Energy: 1.2764219634687826
Energy: 1.1689054313370815
Energy: 1.169643552253279
Energy: 1.1674602075243778
Energy: 1.2744757039604102
Energy: 1.1674602075243778
Energy: 1.2242097384818782
Energy: 1.1673874843429315
Energy: 1.2742373157554459
Energy: 1.167387484343651
Energy: 1.3189275232941533
Energy: 1.2283422906183277
Energy: 1.3154146405548721
Energy: 1.2283422906190473
Energy: 1.3189241161419927
Energy: 1.2271121248820813
Energy: 1.2289095236173937
Energy: 1.2271121248820813
Energy: 1.1606809223978924
Energy: 1.3816006703137762
Energy: 1.202127343696118
Energy: 1.381600670169974
Energy: 1.1950318988052913
Energy: 1.354356950066609
Energy: 1.232141113170677
Energy: 1.354356950066609
Energy: 1.1571098272043014
Energy: 1.1569986000094612
Energy: 1.346154378034374
Energy: 1.156998600006584
Energy: 1.2566676973007656
Energy: 1.2152163796609903
Energy: 1.2786005787692458
Energy: 1.2152163796595516
Energy: 1.3158628046856293
Energy: 1.1575196602458409
Energy: 1.3332757616288562
Energy: 1.1575196602465603
Energy: 1.3159519539755997
Energy: 1.1580894028999391
Energy: 1.1616978759692251
Energy: 1.1580894028999391
Energy: 1.2265564757559146
Energy: 1.35416342635811
Energy: 1.1986789742401567
Energy: 1.35416342635811
Energy: 1.1764975013566756
Energy: 1.3795755449402232
Energy: 1.19846935651856
Energy: 1.3795755449402232
Energy: 1.233570239391045
Energy: 1.380832435295188
Energy: 1.160946262577341
Energy: 1.3808324352966268
Energy: 1.2266652897644803
Energy: 1.2292981294320475
Energy: 1.2821944163341326
Energy: 1.2292981294327672
Energy: 1.3195456409626651
Energy: 1.2272510606046334
Energy: 1.304718691603724
Energy: 1.227251060603914
Energy: 1.2293889194124032
Energy: 1.1689926278345035
Energy: 1.1681452001529185
Energy: 1.1689926278337845
Energy: 1.3172416303713637
Energy: 1.168161286215088
Energy: 1.1706892167961511
Energy: 1.168161286215088
Energy: 1.274118705298298
Energy: 1.1669572977253253
Energy: 1.1676343428611389
Energy: 1.1669572977253253
Energy: 1.2744503112658196
Energy: 1.1678314735074289
Energy: 1.223105847231698
Energy: 1.167831473508868
Energy: 1.3149374253713653
Energy: 1.2277744396062285
Energy: 1.3189225872249728
Energy: 1.2277744396062285
Energy: 1.2292620025187262
Energy: 1.2275165218037751
Energy: 1.318842160760368
Energy: 1.2275165218030555
Energy: 1.2006138451243198
Energy: 1.4263369735605413
Energy: 1.1589765863633446
Energy: 1.4263369735576639
Energy: 1.232889445492872
Energy: 1.3541114899740514
Energy: 1.1943799269399424
Energy: 1.3541114899726128
Energy: 1.34612298520957
Energy: 1.157359322584537
Energy: 1.158097487403348
Energy: 1.1573593225852565
Energy: 1.278380535976099
Energy: 1.1731335855091554
Energy: 1.2026794202814899
Energy: 1.1731335855091554
Energy: 1.3343807987070264
Energy: 1.1577076484601267
Energy: 1.3165126824307292
Energy: 1.1577076484608457
Energy: 1.1619521104092698
Energy: 1.1585546432576956
Energy: 1.2319677034828693
Energy: 1.1585546432569764
Energy: 1.166046660025398
Energy: 1.3336066348786038
Energy: 1.2276847947839618
Energy: 1.3336066348786038
Energy: 1.1992894724681553
Energy: 1.3778233122089072
Energy: 1.176237029853428
Energy: 1.3778233122089072
Energy: 1.1595690134771799
Energy: 1.380787948317512
Energy: 1.184304594767341
Energy: 1.380787948317512
Energy: 1.282087404111567
Energy: 1.2286603973354215
Energy: 1.2353748202699666
Energy: 1.2286603973361407

minimum gb energy = 1.156998600006584 eV
minimum distance =  2.28800742647305 Angstroms
sigma value = 73


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

Energy: 1.2823609712544146
Energy: 1.1826212838839651
Energy: 1.180434590257222
Energy: 1.160918387037565
Energy: 1.137823964910375
Energy: 1.1665526891429454
Energy: 1.2033934351822726
Energy: 1.166552689141804
Energy: 1.1401799755567787
Energy: 1.1669596710396473
Energy: 1.204538492829546
Energy: 1.1669596710396473
Energy: 1.1667055655861942
Energy: 1.1669432863548368
Energy: 1.2423938415453872
Energy: 1.1669432863548368
Energy: 1.1745305294898987
Energy: 1.1729353166450904
Energy: 1.2728111685189534
Energy: 1.1729353166450904
Energy: 1.193795095982747
Energy: 1.1730410716552884
Energy: 1.2726369951018324
Energy: 1.1730410716552884
Energy: 1.2270013360636485
Energy: 1.2120593623364107
Energy: 1.2698481764210197
Energy: 1.2120593623364107
Energy: 1.227531219204367
Energy: 1.2110203292302861
Energy: 1.2123009980095878
Energy: 1.2110203292302861
Energy: 1.1735801774733798
Energy: 1.5313721053178795
Energy: 1.2108903817729995
Energy: 1.5313721053178795
Energy: 1.1993646443862644
Energy: 1.3834189596446507
Energy: 1.2124624181591757
Energy: 1.3834189596446507
Energy: 1.174742071282313
Energy: 1.107770179296293
Energy: 1.110226285266318
Energy: 1.1077701792951518
Energy: 1.1869562107518234
Energy: 1.109916642993469
Energy: 1.2413585148270816
Energy: 1.1099166429946106
Energy: 1.2040892422444474
Energy: 1.306423681835038
Energy: 1.2088480323993913
Energy: 1.306423681835038
Energy: 1.2040760844090808
Energy: 1.156369364175065
Energy: 1.155039928935415
Energy: 1.1563693641762063
Energy: 1.229498924792176
Energy: 1.2007793027449978
Energy: 1.1577291460237418
Energy: 1.2007793027449978
Energy: 1.2724680549985148
Energy: 1.199152719247628
Energy: 1.160756945009605
Energy: 1.199152719247628
Energy: 1.2724098497060892
Energy: 1.1975140140940883
Energy: 1.2058229668759626
Energy: 1.1975140140940883
Energy: 1.2122232155490291
Energy: 1.2581736580346201
Energy: 1.2274476060307928
Energy: 1.2581736580357612
Energy: 1.190419374050824
Energy: 1.1887609576344826
Energy: 1.2273405414079057
Energy: 1.1887609576356242
Energy: 1.243672815109704
Energy: 1.2986983402160528
Energy: 1.1810203921154674
Energy: 1.2986983402149115
Energy: 1.1884309186504776
Energy: 1.3958306199193948
Energy: 1.2004131606759003
Energy: 1.3958306199182535
Energy: 1.2812738599437952
Energy: 1.180419906485604
Energy: 1.1838050407160865
Energy: 1.180419906485604

minimum gb energy = 1.1077701792951518 eV
minimum distance =  2.27259360360074 Angstroms
sigma value = 7


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

Energy: 1.3918606392913262
Energy: 1.1860714783311272
Energy: 1.182650320002102
Energy: 1.1486358991487657
Energy: 1.2100892722702719
Energy: 1.363060523439286
Energy: 1.2845482286180274
Energy: 1.3630605195988124
Energy: 1.143479628685962
Energy: 1.2016569033702156
Energy: 1.2507763437156674
Energy: 1.2016569033726363
Energy: 1.152596989227464
Energy: 1.15341619856106
Energy: 1.2813038950491222
Energy: 1.1534161985634812
Energy: 1.1487429872762613
Energy: 1.14542746286397
Energy: 1.2383571941552
Energy: 1.1454274628623557
Energy: 1.3097715552647977
Energy: 1.1452580297772799
Energy: 1.2443876160818514
Energy: 1.145258029778087
Energy: 1.2823172344337457
Energy: 1.1458073716619854
Energy: 1.307380635409173
Energy: 1.1458073716619854
Energy: 1.2823602766638265
Energy: 1.1443790907920401
Energy: 1.1452362033117038
Energy: 1.1443790907912332
Energy: 1.3180820615035762
Energy: 1.199640169916335
Energy: 1.1998308031006581
Energy: 1.1996401699147214
Energy: 1.2337236669294305
Energy: 1.4601274380597986
Energy: 1.1424261193551726
Energy: 1.4601274380581843
Energy: 1.2807987475306712
Energy: 1.1823744866064414
Energy: 1.3079747155025603
Energy: 1.1823744866048274
Energy: 1.1898826112970495
Energy: 1.1839360505424394
Energy: 1.2852403832963677
Energy: 1.1839360505416323
Energy: 1.18771762442556
Energy: 1.363263199386454
Energy: 1.1857669987973944
Energy: 1.363263199386454
Energy: 1.1828339132362327
Energy: 1.2965300592403377
Energy: 1.2416491998048054
Energy: 1.2965300592379168
Energy: 1.185569175030267
Energy: 1.3628709894607973
Energy: 1.1341827361085768
Energy: 1.3628709894648325
Energy: 1.3235468172130112
Energy: 1.1839484518987866
Energy: 1.1901670479456665
Energy: 1.1839484518971726
Energy: 1.3229818000420637
Energy: 1.1814501645699536
Energy: 1.2820413438643885
Energy: 1.1814501645699536
Energy: 1.1432749838790721
Energy: 1.460261877250989
Energy: 1.2523819004191317
Energy: 1.460261877250182
Energy: 1.200262385625908
Energy: 1.2002351532146633
Energy: 1.2828223376736791
Energy: 1.200235153213893
Energy: 1.1444291703385834
Energy: 1.1439082824471938
Energy: 1.3200424919419813
Energy: 1.1439082824455797
Energy: 1.3068097908378853
Energy: 1.1457655824799962
Energy: 1.2380889542390505
Energy: 1.1457655824775752
Energy: 1.281922777361531
Energy: 1.1453448933425818
Energy: 1.309381464085391
Energy: 1.145344893343389
Energy: 1.2818857024987491
Energy: 1.1453253908293628
Energy: 1.1466550644382614
Energy: 1.145325390832591
Energy: 1.3162671588378199
Energy: 1.2010840522909016
Energy: 1.147522669756126
Energy: 1.2010840522917086
Energy: 1.233873897790502
Energy: 1.2018239828623445
Energy: 1.144054130743485
Energy: 1.2018239828639585
Energy: 1.2382576494500686
Energy: 1.3627839122065617
Energy: 1.2101276217672867
Energy: 1.3627839122057548
Energy: 1.182637921791755
Energy: 1.1849214885052866
Energy: 1.863434997468076
Energy: 1.1849214885069004
Energy: 1.184920428924869
Energy: 1.3638461689946444
Energy: 1.1810108118259446
Energy: 1.3638461689914165
Energy: 1.2499255247079137
Energy: 1.2992224429863157
Energy: 1.1874111722867493
Energy: 1.2992224429863157
Energy: 1.1826730640515686
Energy: 1.4131887020275224
Energy: 1.2406059798890454
Energy: 1.4131887020291365
Energy: 1.3234122866437918
Energy: 1.1819516503341247
Energy: 1.186959101664883
Energy: 1.1819516503341247

minimum gb energy = 1.1341827361085768 eV
minimum distance =  2.28590623342035 Angstroms
sigma value = 29


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

Energy: 1.193365648803419
Energy: 1.3590229531244493
Energy: 1.0823040190268285
Energy: 1.1951520603116406
Energy: 1.0800656108822446
Energy: 1.155861360457151
Energy: 1.0791835748104794
Energy: 1.155861360457151
Energy: 1.080928093879526
Energy: 1.156775859732719
Energy: 1.1396347527106025
Energy: 1.156775859733531
Energy: 1.0797908293767775
Energy: 1.0809283657812492
Energy: 1.0793306733416748
Energy: 1.080928365780718
Energy: 1.0800285303419697
Energy: 1.081018557690654
Energy: 1.0818709773440203
Energy: 1.081018557690654
Energy: 1.0787822738473472
Energy: 1.1564897025148777
Energy: 1.0803745000470202
Energy: 1.1564897025148777
Energy: 1.140032816831201
Energy: 1.1566979991115878
Energy: 1.0793726136952972
Energy: 1.1566979991107444
Energy: 1.079094506500547
Energy: 1.0835032062251206
Energy: 1.0774599502708335
Energy: 1.0835032062256826
Energy: 1.075910232166103
Energy: 1.139979592084876
Energy: 1.0805471519031205
Energy: 1.1399795920843137

minimum gb energy = 1.075910232166103 eV
minimum distance =  2.26671314974265 Angstroms
sigma value = 5


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

Energy: 1.4043556519794962
Energy: 1.0911431102429507
Energy: 1.2732816662737851
Energy: 1.0817830360186738
Energy: 1.3486956982267733
Energy: 1.0714230025764286
Energy: 1.2363742179741135
Energy: 1.0714230025764286
Energy: 1.2364774436329318
Energy: 1.1665877778651874
Energy: 1.2424851948958573
Energy: 1.1665877778651874
Energy: 1.090644433439432
Energy: 1.0968665910801758
Energy: 1.2406315496788802
Energy: 1.0968665910794135
Energy: 1.2395261168287974
Energy: 1.0734102210244343
Energy: 1.3517076834263846
Energy: 1.0734102210251966
Energy: 1.075620747752158
Energy: 1.0739488446168024
Energy: 1.3505633927921545
Energy: 1.073948844618327
Energy: 1.1072943005126545
Energy: 1.1081259602253886
Energy: 1.3412373087326062
Energy: 1.1081259602261506
Energy: 1.0717237851537633
Energy: 1.0721575589096684
Energy: 1.394956327474087
Energy: 1.0721575589096684
Energy: 1.3026271043210558
Energy: 1.1263140686671338
Energy: 1.3843666358785365
Energy: 1.1263140686678963
Energy: 1.2730480343730681
Energy: 1.0677373691388063
Energy: 1.072148393610814
Energy: 1.0677373691395684
Energy: 1.3015307348445881
Energy: 1.0683759867114113
Energy: 1.068418319715708
Energy: 1.0683759867121738
Energy: 1.3883018617484566
Energy: 1.0693826336607546
Energy: 1.0709434740127184
Energy: 1.0693826336607546
Energy: 1.392223971044066
Energy: 1.0581521412044568
Energy: 1.3433382231740627
Energy: 1.058152141202932
Energy: 1.2997962042490823
Energy: 1.1127156577947093
Energy: 1.2430815854481492
Energy: 1.112715657796996
Energy: 1.0740262081926002
Energy: 1.0774293967105355
Energy: 1.2393638900973782
Energy: 1.077429396709773
Energy: 1.0713865593769416
Energy: 1.0716922121227632
Energy: 1.3458369318324332
Energy: 1.0716922121235253
Energy: 1.071140442448585
Energy: 1.0887706708161715
Energy: 1.0948778981814824
Energy: 1.0887706708161715
Energy: 1.2355263879138692
Energy: 1.0710551927662817
Energy: 1.30664200907194
Energy: 1.0710551927655194
Energy: 1.2672168154343244
Energy: 1.1671681650981156
Energy: 1.235976334615696
Energy: 1.1671681650958285
Energy: 1.237638418346667
Energy: 1.0991982108535616
Energy: 1.1337245078178082
Energy: 1.0991982108535616
Energy: 1.3485477381362017
Energy: 1.0732406025873886
Energy: 1.2384845692764772
Energy: 1.0732406025873886
Energy: 1.3519050775150039
Energy: 1.0737357358975588
Energy: 1.0785001232507414
Energy: 1.0737357358975588
Energy: 1.3424673310903432
Energy: 1.107279271323387
Energy: 1.074625617247364
Energy: 1.107279271324149
Energy: 1.392061243801198
Energy: 1.0732977457287913
Energy: 1.0717528870669502
Energy: 1.0732977457287913
Energy: 1.3871727044069662
Energy: 1.114340146773751
Energy: 1.3014106142027775
Energy: 1.114340146773751
Energy: 1.0693050938357558
Energy: 1.0684567213875313
Energy: 1.272749925919857
Energy: 1.0684567213875313
Energy: 1.068583946684529
Energy: 1.068314321124596
Energy: 1.3021903489416302
Energy: 1.068314321124596
Energy: 1.068592453863739
Energy: 1.0682127088835156
Energy: 1.3035056186695464
Energy: 1.068212708884278
Energy: 1.1908915153920177
Energy: 1.0587363698740004
Energy: 1.3949696637992626
Energy: 1.058736369874763
Energy: 1.2409146737988583
Energy: 1.1130851606217598
Energy: 1.30038608098081
Energy: 1.1130851606217598
Energy: 1.2409270410010105
Energy: 1.0730000029746374
Energy: 1.073000555424583
Energy: 1.0730000029746374
Energy: 1.3442974391508091
Energy: 1.0729244721909934
Energy: 1.0733089583443187
Energy: 1.0729244721917557
Energy: 1.0915146312218045
Energy: 1.0777336855968527
Energy: 1.080810427253455
Energy: 1.0777336855976152

minimum gb energy = 1.058152141202932 eV
minimum distance =  2.30079718767578 Angstroms
sigma value = 1


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

Energy: 1.4763878865156206
Energy: 1.0349988195275959
Energy: 1.2134008672123275
Energy: 1.00266955699532
Energy: 1.3972481174769666
Energy: 1.0161718110615237
Energy: 1.2433778312002317
Energy: 1.0161718110625775
Energy: 1.2431865552296226
Energy: 1.1224146671720268
Energy: 1.241912352049586
Energy: 1.122414667170973
Energy: 1.059281615396843
Energy: 1.3279524004532375
Energy: 1.24580373174895
Energy: 1.3279524004532375
Energy: 1.2469128403451115
Energy: 1.0190255640778951
Energy: 1.4005804615974082
Energy: 1.019025564074733
Energy: 1.0210711271536463
Energy: 1.0194538225322602
Energy: 1.4014631548861478
Energy: 1.0194538225322602
Energy: 1.0316607862536746
Energy: 1.0324936543280325
Energy: 1.3977378574389465
Energy: 1.0324936543269785
Energy: 1.0168831145254795
Energy: 1.0169253949550645
Energy: 1.4498170520921487
Energy: 1.0169253949561183
Energy: 1.4000915929885296
Energy: 1.0754950218069204
Energy: 1.4536805949743594
Energy: 1.0754950218069204
Energy: 1.2667731417956551
Energy: 1.0168819256008175
Energy: 1.0181904239630422
Energy: 1.0168819256008175
Energy: 1.3980309349426803
Energy: 1.0331159912635204
Energy: 1.0313223583854072
Energy: 1.0331159912635204
Energy: 1.4569658194024802
Energy: 1.0184744853943433
Energy: 1.0192527154447608
Energy: 1.0184744853953973
Energy: 1.4526270792367768
Energy: 1.0200588684647998
Energy: 1.2418756692271677
Energy: 1.0200588684647998
Energy: 1.3989600495451286
Energy: 1.0179435596034994
Energy: 1.2419421075104748
Energy: 1.0179435596045534
Energy: 1.0333337931819162
Energy: 1.1214743658184958
Energy: 1.2437993060094419
Energy: 1.121474365816388
Energy: 1.0318494199233408
Energy: 1.3113708470360856
Energy: 1.4023786992416152
Energy: 1.311370847035032
Energy: 1.0351955417200596
Energy: 1.0326201556878947
Energy: 1.2459549370617236
Energy: 1.0326201556868404
Energy: 1.0166473255789497
Energy: 1.016963846777512
Energy: 1.4026164843898232
Energy: 1.016963846777512
Energy: 1.0314674904450287
Energy: 1.03229748867519
Energy: 1.4516600516828164
Energy: 1.032297488677298
Energy: 1.0208461361383554
Energy: 1.078447407538718
Energy: 1.449901974121221
Energy: 1.078447407538718
Energy: 1.247368951505909
Energy: 1.0361427494690227
Energy: 1.3982290826241348
Energy: 1.036142749467969
Energy: 1.2493777927824223
Energy: 1.0170927126885787
Energy: 1.0173645875977642
Energy: 1.0170927126864706
Energy: 1.3989272501682048
Energy: 1.0199661490860747
Energy: 1.0189555782671336
Energy: 1.0199661490850205
Energy: 1.4526680381900248
Energy: 1.0208637544326702
Energy: 1.0198435601996105
Energy: 1.0208637544326702

minimum gb energy = 1.00266955699532 eV
minimum distance =  2.28893695595813 Angstroms
sigma value = 17


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

Energy: 1.557175372375677
Energy: 1.0222353600895728
Energy: 1.2342435431053977
Energy: 0.9999900994644362
Energy: 1.2543465267369385
Energy: 1.0103221257455253
Energy: 1.155358146758666
Energy: 1.010322125746177
Energy: 1.2845705229203324
Energy: 1.2386644924560544
Energy: 1.1635303180621335
Energy: 1.2386644924547514
Energy: 1.2930185386062794
Energy: 1.065076476512201
Energy: 1.162571841895802
Energy: 1.0650764765128524
Energy: 1.2832779721564758
Energy: 0.9963508230225673
Energy: 1.421007192664002
Energy: 0.9963508230225673
Energy: 0.9972014510690062
Energy: 0.9971835418839022
Energy: 1.5118827827918135
Energy: 0.9971835418839022
Energy: 0.9962828292890333
Energy: 0.996672530277864
Energy: 1.349424863273379
Energy: 0.996672530279167
Energy: 0.9978541319260749
Energy: 0.9971612621384749
Energy: 1.5523803500547197
Energy: 0.9971612621391263
Energy: 1.4120041273215411
Energy: 0.9973844390070123
Energy: 1.4740710345621337
Energy: 0.9973844390063608
Energy: 1.1700699278280315
Energy: 1.0608992783705309
Energy: 1.158640806640264
Energy: 1.0608992783698794
Energy: 1.412006934726697
Energy: 1.0197079225169554
Energy: 1.0380341646735631
Energy: 1.0197079225169554
Energy: 1.510252426852618
Energy: 1.0126358006278824
Energy: 1.159502807085367
Energy: 1.0126358006278824
Energy: 1.419667685573076
Energy: 1.0193024789214091
Energy: 1.0212165319346906
Energy: 1.0193024789201062
Energy: 1.3891769023157694
Energy: 1.018090282462256
Energy: 1.0160691352448041
Energy: 1.0180902824616045
Energy: 1.2908075478296797
Energy: 1.0141121260038501
Energy: 1.010830911921337
Energy: 1.0141121260038501
Energy: 1.5458732604499503
Energy: 1.018228311132099
Energy: 1.5033038114282609
Energy: 1.0182283111314476
Energy: 1.0146361878910268
Energy: 1.0111923095067545
Energy: 1.424243018161678
Energy: 1.0111923095093605
Energy: 1.018937826422674
Energy: 1.01962130290592
Energy: 1.506364579345678
Energy: 1.01962130290592
Energy: 1.0102764722406794
Energy: 1.0101259867104633
Energy: 1.4722639990873767
Energy: 1.010125986709812
Energy: 1.1600225207805184
Energy: 1.0200033965990942
Energy: 1.5550784923053769
Energy: 1.0200033965990942
Energy: 1.1566401263931083
Energy: 1.01139953692787
Energy: 1.2541863536681097
Energy: 1.011399536929173
Energy: 1.158713313879475
Energy: 1.2394897718138473
Energy: 1.2864961147171392
Energy: 1.2394897718138473
Energy: 1.166070064883344
Energy: 1.064663367454693
Energy: 1.290647956390378
Energy: 1.0646633674540416
Energy: 1.4241326730395931
Energy: 0.996530265472711
Energy: 1.1468802805425378
Energy: 0.9965302654733623
Energy: 1.5092710267750837
Energy: 0.997221376484447
Energy: 0.9979966654225901
Energy: 0.9972213764837955
Energy: 1.349523687928866
Energy: 0.996113716379716
Energy: 0.9955163023676702
Energy: 0.9961137163803675
Energy: 1.555437737113517
Energy: 0.9979218808447783
Energy: 0.9993982430689963
Energy: 0.9979218808441268
Energy: 1.470216053861542
Energy: 0.9969991462088857
Energy: 1.413352181789922
Energy: 0.9969991462075828
Energy: 1.1574074315683864
Energy: 1.0595149568556197
Energy: 1.1683158013619321
Energy: 1.0595149568562712
Energy: 1.0372795684243916
Energy: 1.020344714943069
Energy: 1.4134366775080718
Energy: 1.0203447149450235
Energy: 1.163248281394831
Energy: 1.0180435767185094
Energy: 1.5120372230276067
Energy: 1.0180435767185094
Energy: 1.0197510452102128
Energy: 1.0202722214289828
Energy: 1.5136243849450524
Energy: 1.0202722214289828
Energy: 1.0186139760650978
Energy: 1.0192801483805114
Energy: 1.3896144264868613
Energy: 1.01928014837986
Energy: 1.0114042377060122
Energy: 1.0106623477000385
Energy: 1.2940331229076008
Energy: 1.0106623477013414
Energy: 1.504979173256471
Energy: 1.0197339368896723
Energy: 1.5426053526202819
Energy: 1.0197339368922782
Energy: 1.4265268636734805
Energy: 1.0116245979459306
Energy: 1.012885563143048
Energy: 1.0116245979459306
Energy: 1.5040731059202084
Energy: 1.0195961377329559
Energy: 1.018663578587161
Energy: 1.0195961377329559
Energy: 1.4757073899772402
Energy: 1.010568183894961
Energy: 1.011556350008745
Energy: 1.010568183894961

minimum gb energy = 0.9955163023676702 eV
minimum distance =  2.29978134475007 Angstroms
sigma value = 89


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

Energy: 2.0293943390636504
Energy: 0.9074218172043493
Energy: 0.9088677439357394
Energy: 0.9115997662077276
Energy: 0.9120356058466641
Energy: 0.9861501501991788
Energy: 0.9120281102698456
Energy: 0.9861501501991788
Energy: 0.9073980073157698
Energy: 0.9862266805857126
Energy: 0.915995221881395
Energy: 0.9862266805857126
Energy: 0.9043564796643422
Energy: 0.9867388862420667
Energy: 0.9103589657908049
Energy: 0.9867388862420667
Energy: 0.9076982935973119
Energy: 0.9056669760312228
Energy: 1.2613578170745041
Energy: 0.9056669760312228
Energy: 0.9049087886619378
Energy: 0.9056948371000489
Energy: 1.2604985267880986
Energy: 0.9056948371000489
Energy: 0.904317967166503
Energy: 0.9056681008983544
Energy: 0.9105745241944789
Energy: 0.9056681008983544
Energy: 0.9070689584057393
Energy: 0.9059696044529801
Energy: 1.5926251305466868
Energy: 0.9059696044529801
Energy: 0.912212887474298
Energy: 0.9056228927663789
Energy: 1.595635396518756
Energy: 0.9056228927646742
Energy: 1.256339619937296
Energy: 0.9872291095071131
Energy: 0.9089625925773565
Energy: 0.9872291095071131
Energy: 0.912257081356399
Energy: 0.9881416518637809
Energy: 0.9046073432080064
Energy: 0.9881416518637809
Energy: 1.2593033170250882
Energy: 0.9055769877484731
Energy: 0.9080082735099465
Energy: 0.9055769877484731
Energy: 1.2618449798545945
Energy: 0.9054400647883506
Energy: 0.9063346244117989
Energy: 0.9054400647883506
Energy: 0.9097609674165821
Energy: 0.905214980694623
Energy: 0.9048059427658249
Energy: 0.905214980694623
Energy: 1.5913802969904782
Energy: 0.9062766405074241
Energy: 0.9058958314213766
Energy: 0.9062766405074241

minimum gb energy = 0.904317967166503 eV
minimum distance =  2.29086052407573 Angstroms
sigma value = 13


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

Energy: 1.4811486487089096
Energy: 0.8409794291910109
Energy: 1.1069450899299704
Energy: 0.8312628713484013
Energy: 1.3172176181845388
Energy: 0.8386198849944232
Energy: 1.0121351734835717
Energy: 0.83861988499871
Energy: 1.466385635654479
Energy: 0.8369368484156243
Energy: 1.007372665444001
Energy: 0.8369368484184823
Energy: 1.1900171939194468
Energy: 0.8391612137718969
Energy: 1.164817525798689
Energy: 0.8391612137726111
Energy: 1.1665504407853688
Energy: 0.8374786298835599
Energy: 1.3203465814600235
Energy: 0.8374786298857033
Energy: 1.0083919226873055
Energy: 0.8381509261096801
Energy: 1.3186265000657038
Energy: 0.8381509261089657
Energy: 1.0086572255953228
Energy: 0.8369832850765162
Energy: 1.1628493723010538
Energy: 0.8369832850786596
Energy: 1.0101805051939787
Energy: 0.8373434956480028
Energy: 1.6220814182319465
Energy: 0.8373434956465738
Energy: 0.836364183349897
Energy: 0.8417998514868068
Energy: 1.4508236870486784
Energy: 0.8417998514875212
Energy: 0.835436462480733
Energy: 0.8364405333460542
Energy: 1.3227560164782184
Energy: 0.8364405333431963
Energy: 0.8379755886617869
Energy: 0.8416071879150644
Energy: 1.4794840893057823
Energy: 0.8416071879179222
Energy: 1.3183708457687844
Energy: 0.8836831167880861
Energy: 1.3226867636939517
Energy: 0.8836831167888006
Energy: 1.3219387914365972
Energy: 0.8810741316617282
Energy: 1.3166615230781407
Energy: 0.8810741316638716
Energy: 1.3232567093967584
Energy: 0.884979251406663
Energy: 1.1879231184808843
Energy: 0.8849792514030906
Energy: 1.6173082094591738
Energy: 0.8397621731854626
Energy: 1.1639356163580934
Energy: 0.8397621731847481
Energy: 1.615628817664642
Energy: 0.8377677361475941
Energy: 0.8422640960200102
Energy: 0.837767736150452
Energy: 1.4413596621570453
Energy: 0.8365569799998223
Energy: 0.8410057477079664
Energy: 0.8365569799941065
Energy: 1.4763354477120112
Energy: 0.8394412616151586
Energy: 0.837694946103052
Energy: 0.8394412616115863
Energy: 1.756423703416072
Energy: 0.8414158520742648
Energy: 1.0050177224490218
Energy: 0.8414158520764083
Energy: 1.3238543311715447
Energy: 0.8363350696291431
Energy: 1.015819057602619
Energy: 0.836335069626285
Energy: 1.1937236204262212
Energy: 0.8380812448723883
Energy: 1.0072361869243067
Energy: 0.8380812448766102
Energy: 1.3254450862374032
Energy: 0.8358574060370872
Energy: 1.3187194484985092
Energy: 0.8358574060378016
Energy: 1.0113270176199352
Energy: 0.8399269659640997
Energy: 1.3208615660763272
Energy: 0.8399269659612418
Energy: 0.8424487355135473
Energy: 0.8362394487663496
Energy: 1.1643713887647142
Energy: 0.8362394487677786
Energy: 1.0082319903358334
Energy: 0.8372692079765068
Energy: 1.6197391824512468
Energy: 0.8372692079757924
Energy: 0.8364022046988492
Energy: 0.8360631188917343
Energy: 1.6168661263473139
Energy: 0.8360631188888765
Energy: 0.8358776674736865
Energy: 0.835572032986383
Energy: 1.3227870201117393
Energy: 0.8355720329899552
Energy: 0.84351917703084
Energy: 0.8397066351293145
Energy: 1.4756402821969994
Energy: 0.839706635130029
Energy: 1.3165132287457812
Energy: 0.8362412253792131
Energy: 1.1822091653641287
Energy: 0.8362412253792131
Energy: 1.018591163100322
Energy: 0.8840459513862636
Energy: 1.3173647402276039
Energy: 0.8840459513841202
Energy: 1.3188108566339132
Energy: 0.887456739480366
Energy: 1.1909920093851276
Energy: 0.8874567394796514
Energy: 1.6143443003520563
Energy: 0.8373073482700085
Energy: 1.1640589930701746
Energy: 0.837307348262864
Energy: 1.6177312069354433
Energy: 0.8398171653922768
Energy: 0.83845894656252
Energy: 0.8398171653929913
Energy: 1.4437069047291136
Energy: 0.8355909693043753
Energy: 0.8353592894074305
Energy: 0.8355909693050897
Energy: 1.7605191131684037
Energy: 0.8374036635544841
Energy: 0.8387775110311422
Energy: 0.8374036635537696

minimum gb energy = 0.8312628713484013 eV
minimum distance =  2.29173796047898 Angstroms
sigma value = 37


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

Energy: 1.3231488449094244
Energy: 0.7286966108424007
Energy: 0.730257671429377
Energy: 0.7426584244589604
Energy: 1.3147452719584998
Energy: 0.7270537616674295
Energy: 1.019562722094536
Energy: 0.7270537616674295
Energy: 1.3078509401813476
Energy: 0.7265909527151809
Energy: 1.0207806394238972
Energy: 0.7265909527151809
Energy: 1.3073889426366294
Energy: 0.8160668342321172
Energy: 1.0204918585409741
Energy: 0.816066834230888
Energy: 1.3135770913668747
Energy: 0.8156866851825373
Energy: 1.0259849507383638
Energy: 0.8156866851825373
Energy: 0.7327604017446028
Energy: 0.7293200853979341
Energy: 1.3141903251697482
Energy: 0.7293200853979341
Energy: 0.7306986667649039
Energy: 0.7262192846540009
Energy: 1.3131082863434362
Energy: 0.7262192846540009
Energy: 0.7316928917553192
Energy: 0.7310809270159094
Energy: 1.5612753665865173
Energy: 0.7310809270171387
Energy: 0.7263460058967897
Energy: 0.7289114155907842
Energy: 1.5630817063696447
Energy: 0.7289114155907842
Energy: 0.7259890421670716
Energy: 0.7279586311581023
Energy: 1.30958359160847
Energy: 0.7279586311581023
Energy: 0.7302576601084801
Energy: 0.7426584244589604
Energy: 1.3231488449008197
Energy: 0.7286966105659685
Energy: 1.0195627220933068
Energy: 0.7270537616662004
Energy: 1.3147452719584998
Energy: 0.7270537616662004
Energy: 1.0207806394238972
Energy: 0.7265909527151809
Energy: 1.3078509401813476
Energy: 0.7265909527151809
Energy: 1.0204918585434326
Energy: 0.8160668342321172
Energy: 1.3073889426366294
Energy: 0.8160668342321172
Energy: 1.025984950739593
Energy: 0.8156866851825373
Energy: 1.3135770913668747
Energy: 0.8156866851825373
Energy: 1.3141903251685192
Energy: 0.7293200853979341
Energy: 0.7327604017446028
Energy: 0.7293200853979341
Energy: 1.3131082863422072
Energy: 0.7262192846540009
Energy: 0.7306986667649039
Energy: 0.7262192846540009
Energy: 1.5612753665877463
Energy: 0.7310809270159094
Energy: 0.7316928917553192
Energy: 0.7310809270171387
Energy: 1.5630817063696447
Energy: 0.7289114155907842
Energy: 0.7263460058967897
Energy: 0.7289114155907842
Energy: 1.3095835916158451
Energy: 0.7279586311581023
Energy: 0.7259890421670716
Energy: 0.7279586311581023

minimum gb energy = 0.7259890421670716 eV
minimum distance =  2.29523446692163 Angstroms
sigma value = 25


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

Energy: 1.6456587875156212
Energy: 0.6442101986165936
Energy: 0.6441315144102702
Energy: 0.64835386577162
Energy: 1.5429775113273518
Energy: 0.6426484034222575
Energy: 0.8844514319331969
Energy: 0.6426484034193779
Energy: 1.6331538111300303
Energy: 0.6418584163891031
Energy: 0.8831445179288697
Energy: 0.6418584163881432
Energy: 1.2236435939415318
Energy: 0.6436870270521438
Energy: 1.0176163285154523
Energy: 0.6436870270540636
Energy: 1.5409868628286163
Energy: 0.6424631002884046
Energy: 1.3266522006273895
Energy: 0.6424631002903243
Energy: 1.2182372873268434
Energy: 0.7088491774835681
Energy: 1.3254420916811922
Energy: 0.7088491774835681
Energy: 1.2205205319102954
Energy: 0.6386667581815819
Energy: 1.430116445435942
Energy: 0.6386667581815819
Energy: 1.2251271345753514
Energy: 0.6409890887527666
Energy: 1.4322662654778429
Energy: 0.6409890887518067
Energy: 0.8791202876427207
Energy: 0.6387382142341025
Energy: 1.7355017176203305
Energy: 0.6387382142331426
Energy: 0.8795642774289995
Energy: 0.6391118408375495
Energy: 1.526830621034704
Energy: 0.6391118408394693
Energy: 0.7630352115391984
Energy: 0.6406820337335088
Energy: 1.4375568610647758
Energy: 0.640682033732549
Energy: 0.7742303006959692
Energy: 0.6394260297395107
Energy: 1.526588477815755
Energy: 0.6394260297404706
Energy: 0.7589160816797424
Energy: 0.6371274763308533
Energy: 1.5302690767147462
Energy: 0.637127476331813
Energy: 1.0006145830191677
Energy: 0.6401904217918141
Energy: 1.5352237718679969
Energy: 0.6401904217918141
Energy: 0.9973403761709609
Energy: 0.6351991857716475
Energy: 1.532772553602764
Energy: 0.6351991857726073
Energy: 0.9942326712972385
Energy: 0.6362763157655646
Energy: 1.6345190376248662
Energy: 0.6362763157655646
Energy: 1.3159099458344279
Energy: 0.6370437216228306
Energy: 1.637980814213179
Energy: 0.6370437216161116
Energy: 1.0065944583518234
Energy: 0.7074794268944996
Energy: 1.2224329026970095
Energy: 0.7074794268944996
Energy: 1.3126203823020441
Energy: 0.7060244591921095
Energy: 1.21963506496151
Energy: 0.7060244591939857
Energy: 1.5432660742264888
Energy: 0.7059049885336177
Energy: 1.21896845356455
Energy: 0.7059049885345775
Energy: 1.4253021813389388
Energy: 0.7061041248760397
Energy: 0.8823718021955106
Energy: 0.7061041248769995
Energy: 1.5428810082010826
Energy: 0.6414657008700656
Energy: 0.764952014259451
Energy: 0.6414657008691059
Energy: 1.839939708483062
Energy: 0.6440498014021938
Energy: 0.8788508069394357
Energy: 0.6440498014031537
Energy: 1.4348015680891724
Energy: 0.6483732409982904
Energy: 0.6489127627634041
Energy: 0.6483732409973306
Energy: 1.542056919869041
Energy: 0.6405698765792435
Energy: 0.6422342880894711
Energy: 0.6405698765792435
Energy: 1.6364182027199339
Energy: 0.6433725719981866
Energy: 0.6475958446962744
Energy: 0.6433725719981866

minimum gb energy = 0.6351991857716475 eV
minimum distance =  2.29265872485105 Angstroms
sigma value = 41


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

Energy: 1.6818907405161072
Energy: 0.579831920059622
Energy: 0.8841568887071555
Energy: 0.5799071128182727
Energy: 1.6749043346349177
Energy: 0.5716853600559874
Energy: 0.7701253830155074
Energy: 0.5716853600552003
Energy: 1.669534927902533
Energy: 0.5701181098890001
Energy: 0.7726113551140783
Energy: 0.5701181098890001
Energy: 1.3237834757683922
Energy: 0.5739147943004543
Energy: 1.149131538177885
Energy: 0.5739147943012413
Energy: 1.6755567313780546
Energy: 0.5685277843044219
Energy: 1.1464115432616275
Energy: 0.5685277843052088
Energy: 1.3167301178930644
Energy: 0.6247631311123953
Energy: 1.1436833930372918
Energy: 0.6247631311194776
Energy: 1.3207933544634383
Energy: 0.6245938221584955
Energy: 1.494492612403031
Energy: 0.6245938221577085
Energy: 1.3221205101508873
Energy: 0.6272425342616825
Energy: 1.1492238721662662
Energy: 0.6272425342632565
Energy: 0.9710769043906835
Energy: 0.5691739920150167
Energy: 1.4929026285180682
Energy: 0.5691739920150167
Energy: 0.9705801276597992
Energy: 0.5688531228559878
Energy: 1.6746002904116444
Energy: 0.5688531228544139
Energy: 0.7767563043805779
Energy: 0.5762574652356266
Energy: 1.5034181560513031
Energy: 0.5762574652340527
Energy: 0.7721376017266411
Energy: 0.5692686594276851
Energy: 1.6746548333266804
Energy: 0.569268659428472
Energy: 0.7714399230823247
Energy: 0.5728017759324033
Energy: 1.844295885261108
Energy: 0.5728017759331903
Energy: 0.5751606307420414
Energy: 0.575997250566711
Energy: 1.500967043731462
Energy: 0.575997250566711
Energy: 0.5699411531813273
Energy: 0.5693055886072432
Energy: 1.6727817099300608
Energy: 0.5693055886064563
Energy: 0.5745201706633274
Energy: 0.5716565673641713
Energy: 1.6736843560094021
Energy: 0.5716565673641713
Energy: 0.7745720583526778
Energy: 0.5727598708151208
Energy: 1.676074198896215
Energy: 0.5727598708159077
Energy: 0.7739510724291461
Energy: 0.5701410438944944
Energy: 1.6720059882436018
Energy: 0.5701410438952813
Energy: 0.7724849480094866
Energy: 0.5717860941965908
Energy: 1.3210037678005415
Energy: 0.5717860941973778
Energy: 1.1448285381450056
Energy: 0.5702544335126543
Energy: 1.3191177109413006
Energy: 0.5702544335118674
Energy: 1.1494839872684135
Energy: 0.5692791274782907
Energy: 1.4939657179226813
Energy: 0.5692791274625523
Energy: 1.1452375067183762
Energy: 0.627621206380709
Energy: 1.3214885122495719
Energy: 0.6276212063830698
Energy: 1.4929758121947383
Energy: 0.6230774078551192
Energy: 1.3157349466648076
Energy: 0.6230774078559062
Energy: 1.1494233642933722
Energy: 0.6286825960541784
Energy: 1.1450423189314178
Energy: 0.6286825960549653
Energy: 1.4952869078667061
Energy: 0.5692275119147568
Energy: 0.975724241166193
Energy: 0.5692275119155437
Energy: 1.4954344038421505
Energy: 0.5700374120317147
Energy: 1.1440422394238152
Energy: 0.5700374120309277
Energy: 1.4984336063671992
Energy: 0.5720903338952241
Energy: 0.7762095780906993
Energy: 0.5720903338936502
Energy: 1.6727773822201066
Energy: 0.5697625539578176
Energy: 0.7734768534808162
Energy: 0.5697625539570307
Energy: 1.49815782900336
Energy: 0.5736785762640215
Energy: 0.7759381881426514
Energy: 0.5736785762616607
Energy: 1.4968382239968085
Energy: 0.5716219509554699
Energy: 0.574741843523282
Energy: 0.5716219509546829
Energy: 1.6723689296685147
Energy: 0.5692867707635026
Energy: 0.570146113792039
Energy: 0.5692867707635026
Energy: 1.6781389610275934
Energy: 0.5753605498015685
Energy: 0.5757413984811106
Energy: 0.5753605498023554

minimum gb energy = 0.5685277843044219 eV
minimum distance =  2.30477445959172 Angstroms
sigma value = 15


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

Energy: 1.4742898449326143
Energy: 0.5318027490113356
Energy: 0.8490185333274475
Energy: 0.5303361659069394
Energy: 1.7755632768527168
Energy: 0.5230567552340376
Energy: 0.6930520192946534
Energy: 0.5230567552367041
Energy: 1.76896464546939
Energy: 0.5224444950656325
Energy: 0.6972252009474438
Energy: 0.522444495064966
Energy: 1.472992749762185
Energy: 0.5261613640168201
Energy: 1.021937232375999
Energy: 0.5261613640141536
Energy: 1.7726849456838036
Energy: 0.5200003188647732
Energy: 1.0160798245055174
Energy: 0.5200003188781057
Energy: 1.4653339380160189
Energy: 0.521325906877089
Energy: 1.0133420959093933
Energy: 0.5213259068750892
Energy: 1.1656333387281632
Energy: 0.7850584415093289
Energy: 1.3147818648936338
Energy: 0.7850584415066623
Energy: 1.4695739297763837
Energy: 0.5726513205401699
Energy: 1.0190094148282223
Energy: 0.5726513205361701
Energy: 1.1625761578656506
Energy: 0.5698707434725938
Energy: 1.3123480367264047
Energy: 0.5698707434732604
Energy: 1.1614554564629522
Energy: 0.7834247270576051
Energy: 1.616109681483895
Energy: 0.7834247270576051
Energy: 1.0190999004307004
Energy: 0.5268999637354239
Energy: 1.3217149040332419
Energy: 0.5268999635608876
Energy: 0.8687220240601525
Energy: 0.5199212821110846
Energy: 1.6162784973144044
Energy: 0.5199212821164176
Energy: 1.0152173911691198
Energy: 0.5207620207494152
Energy: 1.6164792076677554
Energy: 0.5207620215330107
Energy: 0.6978744590747121
Energy: 0.5260988310591451
Energy: 1.3196868573222422
Energy: 0.5260988310564786
Energy: 0.6971581048273722
Energy: 0.5213715432357164
Energy: 1.7726847908966863
Energy: 0.5213715432343832
Energy: 0.6964341895639862
Energy: 0.5234422247412822
Energy: 1.6202905612551375
Energy: 0.5234422247412822
Energy: 0.5263569866672663
Energy: 0.5243833190798671
Energy: 1.6226276828749135
Energy: 0.5243833190758673
Energy: 0.5209190329616268
Energy: 0.5211971742056764
Energy: 1.7715783495460065
Energy: 0.5211971742056764
Energy: 0.5284925540489142
Energy: 0.5238745773308046
Energy: 1.4701687494461846
Energy: 0.5238745773301379
Energy: 0.6970382479858526
Energy: 0.5243275383198086
Energy: 1.7737617712038092
Energy: 0.5243275383198086
Energy: 0.6968729044247285
Energy: 0.5216633846424581
Energy: 1.7720889113261313
Energy: 0.5216633846431249
Energy: 0.6991854496818032
Energy: 0.5258610856116
Energy: 1.470929932514807
Energy: 0.5258610856129332
Energy: 1.0141114426710898
Energy: 0.5208348902810168
Energy: 1.4645700609935515
Energy: 0.5208348902790169
Energy: 1.0177351702740771
Energy: 0.5202541728519111
Energy: 1.6187676160822946
Energy: 0.5202541728499113
Energy: 1.019496135077823
Energy: 0.523427205813374
Energy: 1.1688440467049612
Energy: 0.5234272058173738
Energy: 1.3141447955227643
Energy: 0.7830469753432382
Energy: 1.6182943600862685
Energy: 0.7830469753425716
Energy: 1.0157455524560786
Energy: 0.5693150421525869
Energy: 1.314495216606587
Energy: 0.5693150421552534
Energy: 1.3189152163257363
Energy: 0.5710522511608402
Energy: 1.1688302140665303
Energy: 0.5710522511828392
Energy: 1.3172006891177466
Energy: 0.7844347485265076
Energy: 1.3154452601112905
Energy: 0.784434748525841
Energy: 1.3139453759183368
Energy: 0.5211424880548594
Energy: 1.0154070376626991
Energy: 0.5211424880415269
Energy: 1.624092127595017
Energy: 0.519873374356211
Energy: 0.8688684672957426
Energy: 0.5198733743548777
Energy: 1.319421892083023
Energy: 0.5251970987204007
Energy: 1.020603023471852
Energy: 0.5251970987224005
Energy: 1.6172276644837849
Energy: 0.5215078889839676
Energy: 0.6963050403780524
Energy: 0.5215078889839676
Energy: 1.7744312915257554
Energy: 0.5222646568336688
Energy: 0.6958758414060945
Energy: 0.5222646568330022
Energy: 1.628441359751489
Energy: 0.5298818990624685
Energy: 0.7029771177472591
Energy: 0.5298818990644684
Energy: 1.773126267117991
Energy: 0.5233509755363128
Energy: 0.5236848774823789
Energy: 0.5233509755356461
Energy: 1.7677976012590688
Energy: 0.5229562111166066
Energy: 0.5224525645458761
Energy: 0.5229562111166066

minimum gb energy = 0.5198733743548777 eV
minimum distance =  2.30312654002498 Angstroms
sigma value = 85


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

Energy: 1.638957937314402
Energy: 0.446494000657166
Energy: 0.447424122084096
Energy: 0.4462921014461792
Energy: 1.819206667848688
Energy: 0.4474434454675175
Energy: 0.6061567940441807
Energy: 0.447443445469252
Energy: 1.6258527571772912
Energy: 0.4462195253744383
Energy: 0.6053080634393044
Energy: 0.4462195253732819
Energy: 1.3571526139538357
Energy: 0.450553614682842
Energy: 0.8984528066770229
Energy: 0.450553614682842
Energy: 1.6925267319197161
Energy: 0.4466305973991138
Energy: 0.8955445888631524
Energy: 0.4466305973991138
Energy: 1.3575401769271418
Energy: 0.44739956750111637
Energy: 0.8941056704022351
Energy: 0.44739956754563553
Energy: 1.3600564293802073
Energy: 0.447736030799763
Energy: 1.1622507001689304
Energy: 0.44773603079860663
Energy: 1.4301263728037932
Energy: 0.44724917608907
Energy: 0.9584306687719595
Energy: 0.4472491757301835
Energy: 1.3620152685985973
Energy: 0.7065292619019625
Energy: 1.159630913957442
Energy: 0.7065292619031188
Energy: 1.3616229130225408
Energy: 0.9141471424009727
Energy: 1.4252893732122667
Energy: 0.9141471424009727
Energy: 1.1639008261396089
Energy: 0.4446333806194232
Energy: 1.2232069125217548
Energy: 0.44463332405722145
Energy: 1.0947331513030776
Energy: 0.44497487371624334
Energy: 1.425354337640963
Energy: 0.4449748737081489
Energy: 1.160844871729256
Energy: 0.4450824140560266
Energy: 1.4923703337491496
Energy: 0.4450824140646991
Energy: 0.8977365570145062
Energy: 0.4465665971781829
Energy: 1.2217745012872419
Energy: 0.44656659717413566
Energy: 0.8287085367758318
Energy: 0.4446171175156825
Energy: 1.6867227773577418
Energy: 0.44461711751510435
Energy: 0.8963635612045886
Energy: 0.44611975246123803
Energy: 1.4926198785736784
Energy: 0.4461197524623944
Energy: 0.5999964172141002
Energy: 0.4466680517745088
Energy: 1.494658087706008
Energy: 0.44666805177393065
Energy: 0.5974762101740889
Energy: 0.4452105784602333
Energy: 1.75449947577336
Energy: 0.4452105784602333
Energy: 0.595074198148564
Energy: 0.4445356075138043
Energy: 1.7639963953333788
Energy: 0.44453560751669513
Energy: 0.5246008974241326
Energy: 0.4443736737906212
Energy: 1.7630737774261371
Energy: 0.44437367378946485
Energy: 0.524380914156854
Energy: 0.4430933077944521
Energy: 1.8184840902625379
Energy: 0.44309330779618655
Energy: 0.5225147352589297
Energy: 0.44377122992766566
Energy: 1.5563404128131564
Energy: 0.443771229928822
Energy: 0.6815651377065414
Energy: 0.4448208336465307
Energy: 1.8238689892809128
Energy: 0.4448208336465307
Energy: 0.685833047362015
Energy: 0.44432801884766704
Energy: 1.8147528943026168
Energy: 0.44432801884766704
Energy: 0.6793469853354535
Energy: 0.448144046153254
Energy: 1.3511542485642842
Energy: 0.4481440461544103
Energy: 0.8864849350677585
Energy: 0.4446598716335909
Energy: 1.8213443938599356
Energy: 0.4446598716335909
Energy: 0.8872418319687027
Energy: 0.44484643608978286
Energy: 1.622398085505297
Energy: 0.44484643608978286
Energy: 1.1657660567934882
Energy: 0.44723254631143816
Energy: 1.364212341930343
Energy: 0.4472325463097036
Energy: 1.164743082971998
Energy: 0.44444336742346807
Energy: 1.624899185164059
Energy: 0.4444433674228899
Energy: 1.1629017889691426
Energy: 0.44440680483335626
Energy: 1.3585876591780113
Energy: 0.44440680483335626
Energy: 1.4284853239527293
Energy: 0.7127766056725761
Energy: 1.0886788491906425
Energy: 0.7127766056714198
Energy: 1.2275834352073878
Energy: 0.6393703617371771
Energy: 1.3659142927139611
Energy: 0.6393703617371771
Energy: 1.4268794394120492
Energy: 0.7011901871636951
Energy: 1.0915753942510182
Energy: 0.7011901871625387
Energy: 1.687726937720202
Energy: 0.4468674517838817
Energy: 1.0926103329308472
Energy: 0.4468674517838817
Energy: 1.2181827669197294
Energy: 0.4492661638773918
Energy: 1.103240883735671
Energy: 0.44926616382075735
Energy: 1.6879207706757124
Energy: 0.4465277848487492
Energy: 0.8952238294969085
Energy: 0.44652778485106187
Energy: 1.7553866780202767
Energy: 0.44715168673877065
Energy: 0.8938485460289839
Energy: 0.44715168673877065
Energy: 1.4899407347646245
Energy: 0.44622327421988034
Energy: 0.6046273396499786
Energy: 0.44622327421930214
Energy: 1.8174413584562692
Energy: 0.4462970884629082
Energy: 0.6044052986427042
Energy: 0.4462970884634864
Energy: 1.7610594953191259
Energy: 0.44825304405003175
Energy: 0.6054245747450694
Energy: 0.4482530440494536
Energy: 1.491673271890069
Energy: 0.4473377295984295
Energy: 0.44672958951199154
Energy: 0.4473377295984295
Energy: 1.8168947550861587
Energy: 0.4455713546089773
Energy: 0.44700837724005216
Energy: 0.4455713546089773
Energy: 1.6284323384410937
Energy: 0.4491401087053751
Energy: 0.44571000154395013
Energy: 0.4491401087053751

minimum gb energy = 0.4430933077944521 eV
minimum distance =  2.29187206931524 Angstroms
sigma value = 113


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

Energy: 0.01855258570424856
Energy: 0.45798929214716727
Energy: 1.4369609157926202
Energy: 0.019114665480537883
Energy: 1.0838729574982715
Energy: 0.10844563081955692
Energy: 1.0799424132823607
Energy: 0.10844563081911245
Energy: 0.01943060002272647
Energy: 0.1105972865664983
Energy: 1.0785926494726552
Energy: 0.11059728656694276
Energy: 0.020311028400610897
Energy: 0.11219620105119577
Energy: 1.082700517180202
Energy: 0.11219620105119577
Energy: 1.0823279394478074
Energy: 0.11050215434721089
Energy: 1.0820736687828927
Energy: 0.11050215434676641
Energy: 0.026241028448227694
Energy: 0.10800940650700412
Energy: 1.0790280249405477
Energy: 0.1080094065074486

minimum gb energy = 0.01855258570424856 eV
minimum distance =  2.51702493695825 Angstroms
sigma value = 1