Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8900000602006912
cohesive_energy=3.8903059725131426
mass=106.42
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=[1.464560876375838e-19, 2.1023761791347998e-19, 2.61484839728604e-19, 3.0524028360314396e-19, 3.43665285816366e-19, 3.7793103748772395e-19, 4.0875691592588397e-19, 4.36621971944412e-19, 4.618706735196179e-19, 4.8475456238304e-19, 5.05473910613928e-19, 5.24180924992512e-19, 5.41002177472878e-19, 5.56045013889504e-19, 5.69395951780626e-19, 5.81130293448042e-19, 5.913121259571119e-19, 6.000023320199279e-19, 6.07247374758876e-19, 6.130937172963419e-19, 6.175830162248099e-19, 6.207489172535939e-19, 6.22626668268642e-19, 6.23246710626e-19, 6.2256738773318395e-19, 6.20341964388558e-19, 6.1624359655878595e-19, 6.09874944438636e-19, 6.00748946331372e-19, 5.882695925291459e-19, 5.71699881780318e-19, 5.50121766873606e-19, 5.22394498045602e-19, 4.87072911972438e-19, 4.421158356223979e-19, 3.83266285678944e-19, 3.0412196431261195e-19, 1.97376946072362e-19, 5.430273287382539e-20, -1.3753532835713518e-19, -3.9941141961976194e-19, -7.68536894327022e-19, -1.2946820878728179e-18, -2.04884745779286e-18, -3.1351392374112e-18, -4.690820705492519e-18, -6.9108607366282794e-18, -1.005931406186802e-17, -1.44783895884678e-17, -2.04871928366214e-17, -2.8018063887075e-17, -3.9319016774994e-17, -5.71614966418716e-17, -8.78274778519584e-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: 0.012958290238156816
Energy: 0.09789041110324292
Energy: 0.7374566614101442
Energy: 0.01346900274219874
Energy: 0.09789041110324292
Energy: 0.8064692736688347
Energy: 0.09789041110324292
Energy: 0.806469273669888
Energy: 0.7374566614085794
Energy: 0.09789041110375453
Energy: 0.012958290238156816
Energy: 0.09789041110324292
Energy: 0.01346900274219874
Energy: 0.8064692736709412
Energy: 0.09789041110375453
Energy: 0.806469273669888

minimum gb energy = 0.012958290238156816 eV
minimum distance =  2.68187963358356 Angstroms
sigma value = 1


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

Energy: 1.422541883844796
Energy: 1.0093578989111978
Energy: 1.0104514542867817
Energy: 0.9348016442624091
Energy: 0.948955443110687
Energy: 1.013102667762832
Energy: 0.9453518031675173
Energy: 1.013102667762832
Energy: 1.0099383628018455
Energy: 1.009647946932803
Energy: 0.9459822531807179
Energy: 1.009647946932803
Energy: 0.9485126267843837
Energy: 0.9460984107151698
Energy: 0.9450724588533127
Energy: 0.9460984105641359
Energy: 1.3237587476417612
Energy: 0.9462863956501094
Energy: 0.9472890092071884
Energy: 0.9462863956527371
Energy: 0.9930662031792246
Energy: 1.0570420681302795
Energy: 0.9470544752847501
Energy: 1.0570420681302795
Energy: 1.0013801425629776
Energy: 1.012703734604198
Energy: 0.9928360190059019
Energy: 1.012703734604198
Energy: 0.9963353462422702
Energy: 1.0253175804153127
Energy: 1.026934518239552
Energy: 1.0253175804153127
Energy: 1.0169071088180266
Energy: 1.0478121137993683
Energy: 1.0172137129152758
Energy: 1.0478121137993683
Energy: 1.0312153836513989
Energy: 1.044250217388238
Energy: 1.0191030417087983
Energy: 1.044250217388238
Energy: 1.0155253046193529
Energy: 1.0475727431221895
Energy: 1.017498509908502
Energy: 1.0475727431221895
Energy: 0.9939082096161125
Energy: 1.0459617531916086
Energy: 1.0256951220832784
Energy: 1.0459617531909517
Energy: 0.9962819137805538
Energy: 1.011377227793001
Energy: 0.9618680124192459
Energy: 1.0113772277923443
Energy: 0.994484964945196
Energy: 1.0125658769376433
Energy: 0.9963448494472408
Energy: 1.0125658769376433
Energy: 0.9580848113524956
Energy: 0.9451778211513762
Energy: 0.9446250743709992
Energy: 0.9451778211507194
Energy: 0.9743981549737151
Energy: 0.94527552466808
Energy: 0.9462156549370537
Energy: 0.9452755246851303
Energy: 1.0098322531056314
Energy: 1.0090515172623586
Energy: 0.9311937332526015
Energy: 1.0090515172623586
Energy: 0.9461931486407303
Energy: 0.9455226044644117
Energy: 0.9615867860045056
Energy: 0.9455226044644117
Energy: 0.9457693329411856
Energy: 1.0099869369409247
Energy: 1.0103118373495732
Energy: 1.0099869369415815
Energy: 0.992361608499565
Energy: 0.9468383592009628
Energy: 0.94746287054265
Energy: 0.946838359199649
Energy: 0.947317860482088
Energy: 0.9472989312012567
Energy: 0.9916103120230735
Energy: 0.9472989312032274
Energy: 0.9462213210178895
Energy: 0.9471155900721828
Energy: 0.9962210622605758
Energy: 0.947115590070869
Energy: 0.9915976065182687
Energy: 1.0111458083482487
Energy: 0.9919332623006595
Energy: 1.011145808347592
Energy: 1.0260762356948878
Energy: 1.014166508143468
Energy: 0.9932101926687703
Energy: 1.0141665081460958
Energy: 1.0175492682235188
Energy: 1.048078115657452
Energy: 1.0179030480024165
Energy: 1.048078115657452
Energy: 1.0197482798300586
Energy: 1.045730577956778
Energy: 1.0335335306820168
Energy: 1.045730577956778
Energy: 1.018069066299707
Energy: 1.0477973415126913
Energy: 1.0163933178514728
Energy: 1.0477973415126913
Energy: 1.0246289765702348
Energy: 1.0461535902237318
Energy: 0.99411802147157
Energy: 1.0461535902237318
Energy: 0.9653514365240976
Energy: 1.011712826428771
Energy: 1.0085589064507297
Energy: 1.011712826428114
Energy: 0.9959645237659879
Energy: 1.0121585821214423
Energy: 0.9929155836117252
Energy: 1.012158582122099
Energy: 0.9442917291548322
Energy: 0.9447504273164252
Energy: 0.9582619219364296
Energy: 0.9447504273164252
Energy: 0.9469507708134759
Energy: 0.9494917426446267
Energy: 0.9311578001848436
Energy: 0.9494917426433128
Energy: 0.9301835755721494
Energy: 0.9467911806310969
Energy: 1.0103994689796987
Energy: 0.9467911805903672

minimum gb energy = 0.9301835755721494 eV
minimum distance =  2.49698114916048 Angstroms
sigma value = 1


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

Energy: 1.620011772337972
Energy: 1.056816505451553
Energy: 1.0559635625667148
Energy: 0.9736808226011316
Energy: 0.9909378886824736
Energy: 1.0573249534248788
Energy: 0.9898704922816286
Energy: 1.05732495342413
Energy: 1.0562016770986693
Energy: 1.0581555884659828
Energy: 1.4883828816199516
Energy: 1.0581555884659828
Energy: 0.9923571094353651
Energy: 0.9897524701392818
Energy: 0.9897273135220855
Energy: 0.9897524701063591
Energy: 0.9893917789561217
Energy: 0.9895167001551003
Energy: 0.9930351309219245
Energy: 0.9895167001543513
Energy: 1.0422181480182329
Energy: 1.0839072965172698
Energy: 0.9887697318442681
Energy: 1.0839072965180188
Energy: 1.0474840901409617
Energy: 1.0701039856689964
Energy: 1.0421217608959135
Energy: 1.0701039856689964
Energy: 1.0448259746879784
Energy: 1.0725698946687514
Energy: 1.0755398456857084
Energy: 1.0725698946687514
Energy: 1.0429914304557877
Energy: 1.109611964444534
Energy: 1.0623207573528461
Energy: 1.1096119644452829
Energy: 1.0750557207042377
Energy: 1.1119433693179066
Energy: 1.04671782088288
Energy: 1.1119433693179066
Energy: 1.0104280233084109
Energy: 1.0694226010190984
Energy: 1.0449021859394574
Energy: 1.0694226010190984
Energy: 1.0121167430784412
Energy: 1.0711213956857981
Energy: 1.043228348775878
Energy: 1.0711213956872963
Energy: 0.9893656392499465
Energy: 0.9895608616324966
Energy: 1.0094178702603036
Energy: 0.9895608616317476
Energy: 0.9929303599934063
Energy: 0.9896055892209589
Energy: 0.9674931452357989
Energy: 0.989605589223921
Energy: 0.9674956905497684
Energy: 1.0570308453626616
Energy: 1.0550084059386209
Energy: 1.0570308453566692
Energy: 1.008763268938989
Energy: 0.9899632538777466
Energy: 0.9895966011664534
Energy: 0.9899632538200726
Energy: 1.0574144930777163
Energy: 1.0576551861128602
Energy: 0.9902864312470663
Energy: 1.0576551861136094
Energy: 0.992448523599475
Energy: 0.9905842512672438
Energy: 0.9938345022758645
Energy: 0.9905842512657459
Energy: 0.9898914325641134
Energy: 0.9918749566635946
Energy: 0.9920401953245379
Energy: 0.9918749566650928
Energy: 0.992386101588984
Energy: 0.9913696351871347
Energy: 0.9914223589513756
Energy: 0.9913696351803937
Energy: 1.0434926439199108
Energy: 1.0704963963901086
Energy: 1.042788424557964
Energy: 1.0704963963908574
Energy: 1.0422100707969237
Energy: 1.071614416726748
Energy: 1.0756462539709077
Energy: 1.071614416725999
Energy: 1.0438848106891632
Energy: 1.1084065368099483
Energy: 1.0629235875189988
Energy: 1.1084065368106972
Energy: 1.0733158039246826
Energy: 1.1086740605530345
Energy: 1.043954181073991
Energy: 1.1086740605530345
Energy: 1.010496674466342
Energy: 1.0691472433859024
Energy: 1.0469060955948601
Energy: 1.0691472433859024
Energy: 1.0117440557615636
Energy: 1.069807870171596
Energy: 1.0433692149002416
Energy: 1.069807870171596
Energy: 0.9892711871422436
Energy: 0.989228194225599
Energy: 1.0091225690176522
Energy: 0.9892281942248501
Energy: 0.9896700754600424
Energy: 0.9889276213534197
Energy: 0.9675121261748744
Energy: 0.9889276213534197
Energy: 0.9669695017204468
Energy: 1.0022898435109757
Energy: 1.0561851978308652
Energy: 1.00228984402531

minimum gb energy = 0.9669695017204468 eV
minimum distance =  2.4970225782849 Angstroms
sigma value = 25


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

Energy: 1.5476894468265252
Energy: 1.1065212622936518
Energy: 1.1074746063855812
Energy: 1.0107143187594743
Energy: 1.0387727102924726
Energy: 1.1025963399989402
Energy: 1.0393243397793226
Energy: 1.1025963400006817
Energy: 1.1067019329366365
Energy: 1.1066114745277595
Energy: 1.03692367518767
Energy: 1.1066114745295006
Energy: 1.0410620199441718
Energy: 1.0385478076289973
Energy: 1.0395238867643113
Energy: 1.038547807615066
Energy: 1.0365792397856923
Energy: 1.0379437489864352
Energy: 1.0383386970487918
Energy: 1.0379437489855645
Energy: 1.0394763639509448
Energy: 1.0725007459419937
Energy: 1.0388479738565288
Energy: 1.0725007459428644
Energy: 1.0870499120996198
Energy: 1.1422513051148657
Energy: 1.081919855475118
Energy: 1.1422513051148657
Energy: 1.084073394584817
Energy: 1.1427828097382504
Energy: 1.0715914352163878
Energy: 1.1427828097382504
Energy: 1.0845364377065392
Energy: 1.1413290266614522
Energy: 1.0700725632650623
Energy: 1.1413290266614522
Energy: 1.0857768331463111
Energy: 1.1420981812846898
Energy: 1.0392221627463276
Energy: 1.1420981812846898
Energy: 1.0039827332255737
Energy: 1.0384307377886393
Energy: 1.036764238573721
Energy: 1.0384307377076631
Energy: 1.0041153289569416
Energy: 1.0388740354256656
Energy: 1.0389662044365382
Energy: 1.0388740354282777
Energy: 1.1060154517605643
Energy: 1.1062263518768836
Energy: 1.0027935836201682
Energy: 1.106226351876013
Energy: 1.0389923510294283
Energy: 1.038594860960548
Energy: 1.068841703858226
Energy: 1.038594860960548
Energy: 1.0364703197294256
Energy: 1.1076205426074266
Energy: 1.1098389878810377
Energy: 1.1076205426065562
Energy: 1.037776209789526
Energy: 1.0389302650815384
Energy: 1.0391624847158054
Energy: 1.0389302650815384
Energy: 1.0416383582677555
Energy: 1.0399289573834767
Energy: 1.03671902339349
Energy: 1.0399289573834767
Energy: 1.04081740761856
Energy: 1.0386984316346457
Energy: 1.0404347642881924
Energy: 1.0386984316329435
Energy: 1.082325733681499
Energy: 1.1438305643767253
Energy: 1.0857293430406538
Energy: 1.1438305643758548
Energy: 1.0420018955235026
Energy: 1.1417866369571172
Energy: 1.0870077398979854
Energy: 1.1417866369571172
Energy: 1.0679592022104591
Energy: 1.1419301879404935
Energy: 1.084459312573111
Energy: 1.1419301879404935
Energy: 1.070450634576075
Energy: 1.1414673543929619
Energy: 1.084642546204383
Energy: 1.1414673543938325
Energy: 1.0368869884453926
Energy: 1.0387242031707788
Energy: 1.0035674294905008
Energy: 1.0387242031707788
Energy: 1.039040891092934
Energy: 1.0385642722433621
Energy: 1.0038555549798767
Energy: 1.0385642722433621
Energy: 1.0029346224021745
Energy: 1.0392091344987542
Energy: 1.1078779037219992
Energy: 1.0392091343229495

minimum gb energy = 1.0027935836201682 eV
minimum distance =  2.49230590885911 Angstroms
sigma value = 9


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

Energy: 1.4371412079151948
Energy: 1.1586119737312244
Energy: 1.1597954655281921
Energy: 1.0455758022559263
Energy: 1.0921361938635588
Energy: 1.1443200734807415
Energy: 1.0925127401250672
Energy: 1.1443200734807415
Energy: 1.158740709543063
Energy: 1.158600682910156
Energy: 1.0821777604176444
Energy: 1.1586006829111948
Energy: 1.087604364111573
Energy: 1.143675787369968
Energy: 1.0925147483164888
Energy: 1.143675787369968
Energy: 1.0898408231369798
Energy: 1.097334893239334
Energy: 1.0915515070791826
Energy: 1.0973348932403728
Energy: 1.0864663960489032
Energy: 1.0924539860585065
Energy: 1.0943869115220517
Energy: 1.092453986066816
Energy: 1.1309120783260946
Energy: 1.2243076775181407
Energy: 1.0930893191583173
Energy: 1.2243076775181407
Energy: 1.093431478361978
Energy: 1.214437863677699
Energy: 1.095595652962999
Energy: 1.214437863677699
Energy: 1.09258116242048
Energy: 1.0970093840784838
Energy: 1.0350651422982216
Energy: 1.0970093840784838
Energy: 1.0917233970920106
Energy: 1.094702858143213
Energy: 1.035175009197324
Energy: 1.0947028581421745
Energy: 1.0337262494789614
Energy: 1.1582494490653201
Energy: 1.157757246724143
Energy: 1.1582494490653201
Energy: 1.1355934594091324
Energy: 1.0978222413300394
Energy: 1.0929866383021332
Energy: 1.097822241306173
Energy: 1.158769086999041
Energy: 1.1595469411802486
Energy: 1.1557827726888872
Energy: 1.1595469411812875
Energy: 1.0862487041037405
Energy: 1.0965838448856984
Energy: 1.0834455267755743
Energy: 1.0965838448856984
Energy: 1.0889283912553034
Energy: 1.0873511569754981
Energy: 1.092570591662745
Energy: 1.0873511569754981
Energy: 1.0844303118444403
Energy: 1.0947480648588654
Energy: 1.0920775589613947
Energy: 1.0947480648588654
Energy: 1.1338655185348598
Energy: 1.2261018832616293
Energy: 1.0930142987399263
Energy: 1.2261018832616293
Energy: 1.1311432200478357
Energy: 1.224739911227733
Energy: 1.0939184045868793
Energy: 1.2247399112287718
Energy: 1.095111480778423
Energy: 1.0977377519698084
Energy: 1.035197055802982
Energy: 1.0977377519687697
Energy: 1.0925234424551253
Energy: 1.0980288681933223
Energy: 1.0349288233883198
Energy: 1.0980288681933223
Energy: 1.03361601965153
Energy: 1.0853986673029892
Energy: 1.1606477678748033
Energy: 1.0853986673019504

minimum gb energy = 1.03361601965153 eV
minimum distance =  2.50838113840981 Angstroms
sigma value = 25


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

Energy: 1.2689799360935914
Energy: 1.2100402868089748
Energy: 1.2105634091767394
Energy: 1.0721155952660577
Energy: 1.0904339486672963
Energy: 1.1414702622119923
Energy: 1.0904088819829847
Energy: 1.1414702622107078
Energy: 1.209131883205089
Energy: 1.2098419614829463
Energy: 1.065853432912987
Energy: 1.2098419614829463
Energy: 1.067468245917374
Energy: 1.1421684343350615
Energy: 1.0906217860553564
Energy: 1.1421684343350615
Energy: 1.0855856049732115
Energy: 1.0901643814103557
Energy: 1.0930498271793714
Energy: 1.0901643841516404
Energy: 1.0661561769741605
Energy: 1.090361589644582
Energy: 1.0881208899219879
Energy: 1.0903615896304517
Energy: 1.0639136090176011
Energy: 1.090007635225798
Energy: 1.0898288230075053
Energy: 1.090007578205626
Energy: 1.062775827561413
Energy: 1.1449167082422373
Energy: 1.0911810147528327
Energy: 1.1449167082422373
Energy: 1.208856300358992
Energy: 1.2101119371219855
Energy: 1.3417491649386486
Energy: 1.2101119371245546
Energy: 1.0903163408254526
Energy: 1.2122231641856518
Energy: 1.0623257307936358
Energy: 1.2122231641856518
Energy: 1.2061747648405843
Energy: 1.2108856054282737
Energy: 1.2126270529756873
Energy: 1.2108856054282737
Energy: 1.2071338798395215
Energy: 1.1437963300185048
Energy: 1.2113294230010565
Energy: 1.1437963300185048
Energy: 1.0891486900455676
Energy: 1.2180480435215193
Energy: 1.0855641853620965
Energy: 1.2180480435202348
Energy: 1.091125008537494
Energy: 1.0899786296701743
Energy: 1.0685975025919683
Energy: 1.089978630692208
Energy: 1.0913357197536597
Energy: 1.0899204892648626
Energy: 1.0635635576882727
Energy: 1.089920489263578
Energy: 1.089378498748298
Energy: 1.2135055380795368
Energy: 1.0625114130757125
Energy: 1.2135055380782522
Energy: 1.3431010993157007
Energy: 1.0685151847471015
Energy: 1.2133084116899067
Energy: 1.0685151847445324

minimum gb energy = 1.0623257307936358 eV
minimum distance =  2.55541352588807 Angstroms
sigma value = 17


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

Energy: 1.7902058303495731
Energy: 1.3254872506593842
Energy: 1.3237519881415405
Energy: 1.2408178947090451
Energy: 1.1107612442206853
Energy: 1.174733435677622
Energy: 1.1702899728906864
Energy: 1.174733435677622
Energy: 1.1658171134712907
Energy: 1.1628139984937005
Energy: 1.2419580043452316
Energy: 1.1628139984937005
Energy: 1.1646952431532147
Energy: 1.2358472583219045
Energy: 1.1703334026568373
Energy: 1.235847258321177
Energy: 1.164199029078863
Energy: 1.1990978041586084
Energy: 1.0890174382011266
Energy: 1.1990978043382032
Energy: 1.1734849463545283
Energy: 1.2127757855437025
Energy: 1.1628377274248236
Energy: 1.212775785794593
Energy: 1.231703856115665
Energy: 1.1633201743250154
Energy: 1.1607627318575533
Energy: 1.1633201743250154
Energy: 1.2532682867829705
Energy: 1.1708571289048382
Energy: 1.111840227658936
Energy: 1.1708571289055658
Energy: 1.3302524105922886
Energy: 1.326303703656739
Energy: 1.240920951440414
Energy: 1.3263037036574665
Energy: 1.3257067272161251
Energy: 1.2356401619279587
Energy: 1.1704587636119714
Energy: 1.2356401619279587
Energy: 1.1616176296366783
Energy: 1.1122793725162419
Energy: 1.1061813285521422
Energy: 1.1122793725155145
Energy: 1.2490144861653134
Energy: 1.1088085929429783
Energy: 1.1119834271215054
Energy: 1.1088085879123353
Energy: 1.2348562602086537
Energy: 1.1103498142365764
Energy: 1.1449439362555456
Energy: 1.110349814226391
Energy: 1.233198452091108
Energy: 1.1499845908727078
Energy: 1.106822164986946
Energy: 1.1499845908712527
Energy: 1.3300882933047586
Energy: 1.2338896216040662
Energy: 1.249139276223327
Energy: 1.2338896216047937
Energy: 1.3250758146200048
Energy: 1.2544026404662272
Energy: 1.2488967181463853
Energy: 1.2544026404691369
Energy: 1.2432257967643103
Energy: 1.1713470648362105
Energy: 1.163437695658579
Energy: 1.171347064834028
Energy: 1.2441217050501914
Energy: 1.171721403635597
Energy: 1.1616333845598315
Energy: 1.171721403635597
Energy: 1.163309040051168
Energy: 1.199637019034156
Energy: 1.1643073789093237
Energy: 1.199637019034156
Energy: 1.2036376843070318
Energy: 1.1540922741503639
Energy: 1.1631822061422812
Energy: 1.1540922740703712
Energy: 1.168514288071419
Energy: 1.171857102201516
Energy: 1.251260059705445
Energy: 1.1718571022007886
Energy: 1.1635395826450303
Energy: 1.1634665438680234
Energy: 1.230885996712971
Energy: 1.1634665438672958
Energy: 1.1695190012780776
Energy: 1.235657482926917
Energy: 1.1714380288756323
Energy: 1.2356574829276445
Energy: 1.2407539189946741
Energy: 1.3258912889523835
Energy: 1.3254981392418392
Energy: 1.3258912889538386
Energy: 1.1114658188869933
Energy: 1.172087367991433
Energy: 1.244367537492455
Energy: 1.172087367991433
Energy: 1.112515523187436
Energy: 1.1101919053376879
Energy: 1.1620360394183185
Energy: 1.1101919053376879
Energy: 1.1059960178290162
Energy: 1.108335006507627
Energy: 1.2538621555737397
Energy: 1.1083350065068993
Energy: 1.1112419339104354
Energy: 1.1133450628379078
Energy: 1.2325018437990094
Energy: 1.1133450628371802
Energy: 1.1101876490948854
Energy: 1.1749254431979936
Energy: 1.2337159757461171
Energy: 1.1749254431965386
Energy: 1.249562522218222
Energy: 1.3261428349425657
Energy: 1.3225196153117196
Energy: 1.3261428349425657

minimum gb energy = 1.0890174382011266 eV
minimum distance =  2.50271886374356 Angstroms
sigma value = 53


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

Energy: 1.6255450093829276
Energy: 1.2277179683295407
Energy: 1.2252126544294162
Energy: 1.0380175180467408
Energy: 1.2297950856006266
Energy: 1.1006060755038376
Energy: 1.2323106014641476
Energy: 1.1006060755021627
Energy: 1.2247922878347486
Energy: 1.2272721992974174
Energy: 1.2204208319742285
Energy: 1.2272721992957427
Energy: 1.2322543063426397
Energy: 1.1005033618272413
Energy: 1.2317168248708459
Energy: 1.1005033618272413
Energy: 1.2668398551542757
Energy: 1.1004173861022244
Energy: 1.0335294097317926
Energy: 1.1004173861005497
Energy: 1.2300486421422365
Energy: 1.1013042565404187
Energy: 1.035102015513732
Energy: 1.1013042565404187
Energy: 1.4025189258500506
Energy: 1.2267662011163531
Energy: 1.2233663292900592
Energy: 1.2267662011230527
Energy: 1.4023320927202712
Energy: 1.1014881912527112
Energy: 1.2274562841465848
Energy: 1.1014881912527112
Energy: 1.2250848173832385
Energy: 1.2287201333294264
Energy: 1.220642976418028
Energy: 1.2287201333294264
Energy: 1.229480786499538
Energy: 1.101713450652513
Energy: 1.2313749518704618
Energy: 1.101713450652513
Energy: 1.2535264568934974
Energy: 1.1031212578978127
Energy: 1.036679603629489
Energy: 1.1031212578978127
Energy: 1.2307258783980268
Energy: 1.100488661662083
Energy: 1.0314459280831358
Energy: 1.100488661660408
Energy: 1.4039723610186592
Energy: 1.1022206295664791
Energy: 1.228781710254956
Energy: 1.1022206295681538

minimum gb energy = 1.0314459280831358 eV
minimum distance =  2.54100512005038 Angstroms
sigma value = 9


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

Energy: 1.5761309827677537
Energy: 1.373718282167736
Energy: 1.3744017826078314
Energy: 1.2782392419589996
Energy: 1.1334323538421927
Energy: 1.129107250632431
Energy: 1.3774929836173508
Energy: 1.129107250527726
Energy: 1.127876325572103
Energy: 1.1280233730105078
Energy: 1.3747077310457134
Energy: 1.128023373009888
Energy: 1.1269535893267693
Energy: 1.1324500284674366
Energy: 1.479355223651755
Energy: 1.132450028487893
Energy: 1.128117717666589
Energy: 1.1292962207836894
Energy: 1.4675338464482213
Energy: 1.1292962207843094
Energy: 1.1305630439610137
Energy: 1.1304824589122147
Energy: 1.4812005212071488
Energy: 1.1304824589363904
Energy: 1.3748003622790914
Energy: 1.36896422594819
Energy: 1.3789064728859526
Energy: 1.3689642259494297
Energy: 1.3749909806014005
Energy: 1.2491611412633659
Energy: 1.3702672706669266
Energy: 1.2491611412646058
Energy: 1.199438290276113
Energy: 1.2695927140305587
Energy: 1.2101889453148775
Energy: 1.269592714029319
Energy: 1.1319267301591414
Energy: 1.2200267046624373
Energy: 1.3760862078596858
Energy: 1.2200267046785545
Energy: 1.2020735960877431
Energy: 1.2019960931103013
Energy: 1.2716016482323627
Energy: 1.2019960931059623
Energy: 1.2091550096277333
Energy: 1.2045797273085523
Energy: 1.4692606746711998
Energy: 1.204579727280714
Energy: 1.3935045207974748
Energy: 1.175163906977589
Energy: 1.2123801555254168
Energy: 1.1751639069763493
Energy: 1.3797312212894157
Energy: 1.1996751044000058
Energy: 1.201513645762271
Energy: 1.1996751044006257
Energy: 1.3705891116805735
Energy: 1.177649375965522
Energy: 1.205201051999266
Energy: 1.177649375965522
Energy: 1.2870142850529078
Energy: 1.275214446810391
Energy: 1.202920959467503
Energy: 1.275214446810391
Energy: 1.375035651704296
Energy: 1.129969586781853
Energy: 1.2030745502289024
Energy: 1.129969586782473
Energy: 1.3711435786113806
Energy: 1.371469748742261
Energy: 1.4779489648087303
Energy: 1.3714697487428804
Energy: 1.3790777240494825
Energy: 1.1304331260251341
Energy: 1.2052829560963467
Energy: 1.1304331260195553
Energy: 1.374496421950527
Energy: 1.1333438161428073
Energy: 1.127665638165773
Energy: 1.1333438161576848
Energy: 1.3873057900758907
Energy: 1.1296293097262955
Energy: 1.126731088163812
Energy: 1.129629309722576
Energy: 1.483077741206171
Energy: 1.1320825076339134
Energy: 1.128149562889252
Energy: 1.1320825075620626
Energy: 1.470643061362738
Energy: 1.1293944067845014
Energy: 1.1295920395502446
Energy: 1.1293944067876007
Energy: 1.3818273071889637
Energy: 1.3688793105769823
Energy: 1.376564228054341
Energy: 1.3688793105769823
Energy: 1.370219009268869
Energy: 1.2503995492424473
Energy: 1.3759969538295285
Energy: 1.2503995492424473
Energy: 1.207123968354871
Energy: 1.2600466280217717
Energy: 1.1990321549451235
Energy: 1.2600466280267306
Energy: 1.3802779599032544
Energy: 1.2211240252011877
Energy: 1.133926093333738
Energy: 1.2211240202070848
Energy: 1.2715734791698898
Energy: 1.1820004990064452
Energy: 1.1984074151204993
Energy: 1.1820004990064452
Energy: 1.4736946924552536
Energy: 1.2028195365837797
Energy: 1.2064001218692944
Energy: 1.2028195365843994
Energy: 1.2144080571628995
Energy: 1.1761098417717573
Energy: 1.3817338142709539
Energy: 1.1761098417717573
Energy: 1.2033361453188056
Energy: 1.201204144367868
Energy: 1.3720294820498125
Energy: 1.201204144367248
Energy: 1.2013009746252576
Energy: 1.1805269355045382
Energy: 1.3695702052728524
Energy: 1.1805269355144568
Energy: 1.204580894266422
Energy: 1.2748461308204644
Energy: 1.2691423274860973
Energy: 1.2748461308217043
Energy: 1.201537538106285
Energy: 1.1310194772111744
Energy: 1.273285515750488
Energy: 1.1310194772774462
Energy: 1.4655016415899642
Energy: 1.3694427197922603
Energy: 1.3686783896206145
Energy: 1.3694427197928802

minimum gb energy = 1.126731088163812 eV
minimum distance =  2.48859919512579 Angstroms
sigma value = 73


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

Energy: 1.6577485796203602
Energy: 1.2986427817882542
Energy: 1.3148165633133544
Energy: 1.2089505395796796
Energy: 1.1614088802165856
Energy: 1.1573498516001295
Energy: 1.312252906234492
Energy: 1.1573498516001295
Energy: 1.1488761552564806
Energy: 1.1505948351497022
Energy: 1.3531460845070533
Energy: 1.1505948351506858
Energy: 1.1477995567949133
Energy: 1.1503582400966865
Energy: 1.4533524578735086
Energy: 1.1503582401438723
Energy: 1.1534485632147609
Energy: 1.1548203577945588
Energy: 1.376214265302506
Energy: 1.1548203577945588
Energy: 1.1566654973429324
Energy: 1.1560188161724543
Energy: 1.3764969663733817
Energy: 1.1560188161734375
Energy: 1.2356440174673147
Energy: 1.3458511290671715
Energy: 1.3592973880310868
Energy: 1.3458511290661883
Energy: 1.2339961214675212
Energy: 1.27348341069865
Energy: 1.351662873560657
Energy: 1.2734834106976665
Energy: 1.2205295993811214
Energy: 1.1274419870453791
Energy: 1.3571176861424967
Energy: 1.127441987039478
Energy: 1.201418468118353
Energy: 1.187794870881451
Energy: 1.3474376789750946
Energy: 1.1877948708804675
Energy: 1.2044478574932604
Energy: 1.129268233682829
Energy: 1.1391618882992587
Energy: 1.1292682336838127
Energy: 1.193131826111877
Energy: 1.127800033840456
Energy: 1.431690477529788
Energy: 1.127800033840456
Energy: 1.3546168566306045
Energy: 1.2048010613584448
Energy: 1.2043087770850238
Energy: 1.2048010613584448
Energy: 1.352197734405699
Energy: 1.2028662804963628
Energy: 1.1995844258134014
Energy: 1.2028662804963628
Energy: 1.3682821745576816
Energy: 1.2570038593307291
Energy: 1.1945454693493707
Energy: 1.2570038593307291
Energy: 1.3740636052583537
Energy: 1.1967601493252538
Energy: 1.196159800949477
Energy: 1.1967601493252538
Energy: 1.37687686783107
Energy: 1.2693820106157332
Energy: 1.2067968864115721
Energy: 1.2693820106157332
Energy: 1.3147760495553944
Energy: 1.314169985838757
Energy: 1.2303239316716352
Energy: 1.314169985838757
Energy: 1.3043019108583092
Energy: 1.231383959616605
Energy: 1.2135688028485476
Energy: 1.231383959616605
Energy: 1.3057562932621483
Energy: 1.2261817893187705
Energy: 1.2987145224859986
Energy: 1.226181789319754
Energy: 1.3050589649169544
Energy: 1.2280867202032857
Energy: 1.2043072667704249
Energy: 1.2280867202032857
Energy: 1.3792113071901786
Energy: 1.2996934888134914
Energy: 1.2986776199015932
Energy: 1.2996934887987388

minimum gb energy = 1.127441987039478 eV
minimum distance =  2.47322482199853 Angstroms
sigma value = 7


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

Energy: 1.8857872247823824
Energy: 1.2850606317067912
Energy: 1.3145823267175438
Energy: 1.1634780427267355
Energy: 1.1537232507804454
Energy: 1.1535205154505683
Energy: 1.295247333410357
Energy: 1.1535205154505683
Energy: 1.145044954642465
Energy: 1.146683311068453
Energy: 1.2816270941183656
Energy: 1.1466833110677574
Energy: 1.1448248207446174
Energy: 1.1462597216012858
Energy: 1.4209814472128492
Energy: 1.1462597216040675
Energy: 1.1459368092557018
Energy: 1.1469344579154437
Energy: 1.3900586707730265
Energy: 1.1469344579147485
Energy: 1.1574188745931668
Energy: 1.1530729338903938
Energy: 1.3889050348631946
Energy: 1.1530729338890031
Energy: 1.282562729942815
Energy: 1.1459336005752832
Energy: 1.15277267812823
Energy: 1.145933600575947
Energy: 1.2928862817563078
Energy: 1.1523432695381721
Energy: 1.1563278300384519
Energy: 1.1523432695381721
Energy: 1.2813789013350902
Energy: 1.148387812766574
Energy: 1.1477841071276407
Energy: 1.1483878127770055
Energy: 1.3914155321743382
Energy: 1.147222757397951
Energy: 1.1476605106810214
Energy: 1.147222757399342
Energy: 1.2918359118441771
Energy: 1.2225524808951604
Energy: 1.1538695264473453
Energy: 1.2225524808951604
Energy: 1.286911526931161
Energy: 1.2845479877781754
Energy: 1.2778440849689425
Energy: 1.2845479877872161
Energy: 1.2771276035783539
Energy: 1.216471112203242
Energy: 1.2839652087597266
Energy: 1.2164711122011558
Energy: 1.2782178865011986
Energy: 1.2141510442070016
Energy: 1.159700900261391
Energy: 1.2141510442070016
Energy: 1.287713170636227
Energy: 1.2147726263201437
Energy: 1.159009381690673
Energy: 1.2147726263201437
Energy: 1.1792130330694506
Energy: 1.2810037318510643
Energy: 1.2812547851407399
Energy: 1.2810037320220482
Energy: 1.1767326104138864
Energy: 1.2221585773787487
Energy: 1.29261626182544
Energy: 1.2221585773836168
Energy: 1.147521220500959
Energy: 1.1472359494292865
Energy: 1.2843469527323905
Energy: 1.147235949429982
Energy: 1.147943904951845
Energy: 1.1473358853997369
Energy: 1.2964404343757423
Energy: 1.1473358854059958
Energy: 1.159931597151665
Energy: 1.1518410640468864
Energy: 1.1782191847022807
Energy: 1.1518410640441046
Energy: 1.1530257831351736
Energy: 1.1458467363676503
Energy: 1.3931180617554586
Energy: 1.1458467363662594
Energy: 1.282060572729939
Energy: 1.1587096283879934
Energy: 1.1568408988207495
Energy: 1.1587096283879934
Energy: 1.294533625756842
Energy: 1.1464297402818844
Energy: 1.145294875243711
Energy: 1.1464297402818844
Energy: 1.4211022711161208
Energy: 1.1455727001503049
Energy: 1.1458749839457931
Energy: 1.145572700151
Energy: 1.4007837200118318
Energy: 1.145742209834169
Energy: 1.1452921075426636
Energy: 1.145742209834169
Energy: 1.390549085106816
Energy: 1.1538317773660998
Energy: 1.147117570671992
Energy: 1.1538317773647089
Energy: 1.3143364281131131
Energy: 1.2849680871631435
Energy: 1.6552460128357607
Energy: 1.2849680871596663
Energy: 1.2800983867635043
Energy: 1.2199325245744879
Energy: 1.2811722175743459
Energy: 1.2199325245751833
Energy: 1.2837044168762388
Energy: 1.2160772701484193
Energy: 1.2777057365885465
Energy: 1.216077270146333
Energy: 1.2896300352299215
Energy: 1.216385721087377
Energy: 1.1593563604897552
Energy: 1.216385721090854
Energy: 1.1773366439381376
Energy: 1.283414879941096
Energy: 1.2797387825244362
Energy: 1.2834148799125829

minimum gb energy = 1.1448248207446174 eV
minimum distance =  2.47698930438686 Angstroms
sigma value = 29


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

Energy: 1.0872500075167049
Energy: 1.273721353016571
Energy: 1.1038069226686846
Energy: 1.0869350419388337
Energy: 1.1028234112535513
Energy: 1.1698954981310625
Energy: 1.1008493295992259
Energy: 1.1698954981317622
Energy: 1.0935870855027552
Energy: 1.1562630681353412
Energy: 1.082167457524904
Energy: 1.1562630681355837
Energy: 1.0856282906372805
Energy: 1.0947007498239034
Energy: 1.094806639550021
Energy: 1.0947007498234458
Energy: 1.0920467525050779
Energy: 1.0987546673514315
Energy: 1.0839594391708094
Energy: 1.0987546673523736
Energy: 1.1060697988605064
Energy: 1.1605641432508043
Energy: 1.0856330833422885
Energy: 1.1605641432515308
Energy: 1.0809021277010662
Energy: 1.1542025396785325
Energy: 1.0942324428929078
Energy: 1.1542025396778326
Energy: 1.1003940222341049
Energy: 1.102331791535866
Energy: 1.0961244196506577
Energy: 1.1023317915392035
Energy: 1.0843044059085105
Energy: 1.1016209308929437
Energy: 1.098636365456435
Energy: 1.101620930892486

minimum gb energy = 1.0809021277010662 eV
minimum distance =  2.51777800421555 Angstroms
sigma value = 5


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

Energy: 1.5976937848926647
Energy: 1.0990211960465652
Energy: 1.260832142344673
Energy: 1.0840913017091376
Energy: 1.196708144550208
Energy: 1.101302267961711
Energy: 1.2801044012489928
Energy: 1.101302267961054
Energy: 1.2955252607556462
Energy: 1.1834539899400165
Energy: 1.2962303715781403
Energy: 1.1834539899400165
Energy: 1.2124539352274828
Energy: 1.1002219501352346
Energy: 1.2717580443876868
Energy: 1.1002219501352346
Energy: 1.2007217879192391
Energy: 1.1009028108250236
Energy: 1.2162304789434344
Energy: 1.1009028108250236
Energy: 1.098224841166022
Energy: 1.0987856759753714
Energy: 1.228375014369574
Energy: 1.0987856759753714
Energy: 1.0972578527199353
Energy: 1.0982473728702595
Energy: 1.2715627839143684
Energy: 1.0982473728702595
Energy: 1.1070783482854178
Energy: 1.1011160100434174
Energy: 1.3594813859568846
Energy: 1.1011160100434174
Energy: 1.1709164372017369
Energy: 1.1244119678918059
Energy: 1.3568013999538064
Energy: 1.1244119678918059
Energy: 1.3966941491704605
Energy: 1.0766967496866469
Energy: 1.0903256942640207
Energy: 1.0766967496859898
Energy: 1.1684790725932324
Energy: 1.076082477456008
Energy: 1.0766436568888702
Energy: 1.0760824774566649
Energy: 1.3720653453768148
Energy: 1.0846828269467566
Energy: 1.0726997944277585
Energy: 1.0846828269454425
Energy: 1.37696079512481
Energy: 1.0756141884785884
Energy: 1.0917914864579736
Energy: 1.0756141884779313
Energy: 1.1464951973539954
Energy: 1.0589504749456364
Energy: 1.3721247451296832
Energy: 1.0589504749456364
Energy: 1.1605744166977379
Energy: 1.064756247476388
Energy: 1.3699548367109318
Energy: 1.0647562474783587
Energy: 1.1603570909157128
Energy: 1.05814673602003
Energy: 1.1258087192905903
Energy: 1.0581467360206869
Energy: 1.1712872841373279
Energy: 1.1487508668243298
Energy: 1.123574380370271
Energy: 1.1487508668302122
Energy: 1.324499690497355
Energy: 1.0602206112177328
Energy: 1.1247749721154507
Energy: 1.0602206112183898
Energy: 1.3367718623861624
Energy: 1.147262175703172
Energy: 1.1277306408797974
Energy: 1.1472621757044859
Energy: 1.3201189212349875
Energy: 1.235140182112658
Energy: 1.2138546115444813
Energy: 1.2351401821441905
Energy: 1.2286418774558256
Energy: 1.1110953406927588
Energy: 1.126384059125483
Energy: 1.1110953406927588
Energy: 1.2176873146283507
Energy: 1.1081417077955762
Energy: 1.1068349857523887
Energy: 1.1081417078074007
Energy: 1.3063366692479428
Energy: 1.107874863196972
Energy: 1.1065293418412638
Energy: 1.107874863196315
Energy: 1.3776360718155485
Energy: 1.1086587189759036
Energy: 1.114745772545052
Energy: 1.1086587189752468
Energy: 1.3712564505559082
Energy: 1.1953684258834323
Energy: 1.1331394250724252
Energy: 1.1953684258840893
Energy: 1.0691646326395656
Energy: 1.0688646828469963
Energy: 1.3975343427163778
Energy: 1.0688646828463395
Energy: 1.0741566553229431
Energy: 1.0678901710943247
Energy: 1.1341177980863466
Energy: 1.0678901710949815
Energy: 1.0660399496444108
Energy: 1.0688458296060568
Energy: 1.1246654523233104
Energy: 1.0688458296060568
Energy: 1.0652919243765346
Energy: 1.06664469118415
Energy: 1.3807821884429035
Energy: 1.0666446911874348
Energy: 1.3718147208797944
Energy: 1.1157361258824805
Energy: 1.1313913061645569
Energy: 1.1157361258824805
Energy: 1.3734415693238582
Energy: 1.0973661437520943
Energy: 1.1002479775258698
Energy: 1.0973661437520943
Energy: 1.197439012581468
Energy: 1.0972986780166034
Energy: 1.099565500579027
Energy: 1.0972986780192315
Energy: 1.1093024681065007
Energy: 1.0985846226712328
Energy: 1.0980528460647736
Energy: 1.0985846226692617

minimum gb energy = 1.05814673602003 eV
minimum distance =  2.48001812400161 Angstroms
sigma value = 1


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

Energy: 1.5858931779703966
Energy: 1.045138423599079
Energy: 1.0466036136694834
Energy: 1.0056056101279944
Energy: 1.0457254003693286
Energy: 1.0459288093605938
Energy: 1.067475694800486
Energy: 1.045928809361502
Energy: 1.266551599650602
Energy: 1.1547127420766174
Energy: 1.2980504302624538
Energy: 1.1547127420775258
Energy: 1.0784112628117095
Energy: 1.1558310585682554
Energy: 1.048054202507958
Energy: 1.155831058567347
Energy: 1.046315998505181
Energy: 1.0438541979173765
Energy: 1.0823768315303015
Energy: 1.0438541979019351
Energy: 1.0431842813528474
Energy: 1.0452347356588252
Energy: 1.0438507588225159
Energy: 1.0452347356597333
Energy: 1.0421368804325941
Energy: 1.0428912695317698
Energy: 1.0478512566087252
Energy: 1.0428912695308616
Energy: 1.045510800659731
Energy: 1.0470150712828126
Energy: 1.0034666673151258
Energy: 1.0470150712828126
Energy: 1.2552551890946166
Energy: 1.085353376360666
Energy: 1.0107897308620528
Energy: 1.085353376360666
Energy: 1.0632974734273424
Energy: 1.0492717134945024
Energy: 1.051718039916157
Energy: 1.0492717134926859
Energy: 1.2561162217225004
Energy: 1.0433887488623521
Energy: 1.0432922188252987
Energy: 1.0433887488623521
Energy: 1.0031959581556649
Energy: 1.052855870763752
Energy: 1.0434995591806973
Energy: 1.0528558707555773
Energy: 1.0160080526788287
Energy: 1.0450655365282548
Energy: 1.044754188945043
Energy: 1.0450655365264379
Energy: 1.0469779062270461
Energy: 1.1565360474322672
Energy: 1.068682587239741
Energy: 1.1565360474331754
Energy: 1.080743277123817
Energy: 1.1537919137315018
Energy: 1.0667987706142448
Energy: 1.1537919137315018
Energy: 1.086146603845228
Energy: 1.0449724045628102
Energy: 1.0476423654383165
Energy: 1.0449724045637185
Energy: 1.0451481299985874
Energy: 1.0462664846287986
Energy: 1.0633714983504803
Energy: 1.0462664846260736
Energy: 1.0614465507348592
Energy: 1.04777830980105
Energy: 1.044050814355943
Energy: 1.04777830980105
Energy: 1.0423867923867367
Energy: 1.0457735265766253
Energy: 1.010543777583734
Energy: 1.0457735265802586
Energy: 1.0447348491574167
Energy: 1.0650796883455296
Energy: 1.0111008225272722
Energy: 1.065079689456809
Energy: 1.0627205386917693
Energy: 1.0773838511201406
Energy: 1.0467411983725308
Energy: 1.0773838511201406
Energy: 1.2912726417850104
Energy: 1.0450703758174646
Energy: 1.048340090771789
Energy: 1.0450703758165565
Energy: 1.0458084281782223
Energy: 1.043744896194418
Energy: 1.0437360659223036
Energy: 1.043744896194418
Energy: 1.002869185842019
Energy: 1.0457521397386913
Energy: 1.0447115878455755
Energy: 1.0457521397377831

minimum gb energy = 1.002869185842019 eV
minimum distance =  2.49685431342087 Angstroms
sigma value = 17


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

Energy: 1.686123010989379
Energy: 1.0357886357385104
Energy: 1.2268396168737723
Energy: 1.0094353976803268
Energy: 1.0353606546649627
Energy: 1.0364365881954019
Energy: 1.1771328762224438
Energy: 1.0364365881954019
Energy: 1.3166554426851662
Energy: 1.042053497350955
Energy: 1.208083967195667
Energy: 1.0420534973487092
Energy: 1.3606720989598746
Energy: 1.082808657011524
Energy: 1.1677946290627048
Energy: 1.082808657007594
Energy: 1.1466867956378355
Energy: 1.0101705923312962
Energy: 1.1817332116930246
Energy: 1.0101705923324191
Energy: 1.0108171844834866
Energy: 1.010683977627872
Energy: 1.1489112680302949
Energy: 1.0106839776233807
Energy: 1.010672380813556
Energy: 1.0098458387558247
Energy: 1.058786817695526
Energy: 1.0098458387547018
Energy: 1.019742533354018
Energy: 1.0134674244026198
Energy: 1.016054527305322
Energy: 1.0134674244031814
Energy: 1.153986559516433
Energy: 1.0114842244123414
Energy: 1.2843625226138067
Energy: 1.01148422441178
Energy: 1.2078695042416234
Energy: 1.0869842653771766
Energy: 1.171638029628026
Energy: 1.0869842653771766
Energy: 1.1500816808759384
Energy: 1.0364110891101286
Energy: 1.0541510978159438
Energy: 1.0364110885826074
Energy: 1.1465029198212275
Energy: 1.0412176092812895
Energy: 1.170033984103921
Energy: 1.0412176092824124
Energy: 1.1490800708846816
Energy: 1.0337304138439547
Energy: 1.0347675644007421
Energy: 1.033730413836656
Energy: 1.0351225827601849
Energy: 1.033337682285864
Energy: 1.0347953389037141
Energy: 1.0333376822853024
Energy: 1.3516713216180465
Energy: 1.0369809838703024
Energy: 1.038473416617602
Energy: 1.036980983870864
Energy: 1.0120324994018102
Energy: 1.0337285912844185
Energy: 1.03908626448829
Energy: 1.0337285912838572
Energy: 1.0336883833565178
Energy: 1.0424772407597953
Energy: 1.1911616774980671
Energy: 1.042477240766532
Energy: 1.0335569849314912
Energy: 1.0355906449854106
Energy: 1.1545552511507626
Energy: 1.0355906449657613
Energy: 1.0360778800271913
Energy: 1.0401366434127874
Energy: 1.1707151905391426
Energy: 1.0401366434116646
Energy: 1.0351341896855415
Energy: 1.1682979348359595
Energy: 1.016651697937395
Energy: 1.1682979348326419
Energy: 1.2096830179082254
Energy: 1.0350496231892086
Energy: 1.034188207386449
Energy: 1.035049623186963
Energy: 1.209023298240585
Energy: 1.0378196456934377
Energy: 1.347870841668741
Energy: 1.037819645695122
Energy: 1.1686502887846462
Energy: 1.0814811181258825
Energy: 1.3531656184710406
Energy: 1.0814811181236368
Energy: 1.184259617126155
Energy: 1.0111968229819868
Energy: 1.145618945503702
Energy: 1.0111968229825483
Energy: 1.1481809680672712
Energy: 1.009618421686204
Energy: 1.0091112903639803
Energy: 1.0096184216856425
Energy: 1.1700141701451845
Energy: 1.0110565352696685
Energy: 1.0141938939592554
Energy: 1.0110565352691072
Energy: 1.0185856287797754
Energy: 1.0126300905405534
Energy: 1.0201381133896754
Energy: 1.012630090541115
Energy: 1.1709291180063797
Energy: 1.0113518290127634
Energy: 1.1561917884108504
Energy: 1.0113518290127634
Energy: 1.1884250961562326
Energy: 1.0869745026760564
Energy: 1.2067641980595658
Energy: 1.0869745026698807
Energy: 1.0552385914030082
Energy: 1.0329685786671714
Energy: 1.1472702822815937
Energy: 1.0329685786699787
Energy: 1.169022605126868
Energy: 1.035087802690303
Energy: 1.1489323401179752
Energy: 1.0350878026914256
Energy: 1.0336728479075996
Energy: 1.0361652534920873
Energy: 1.148818495103077
Energy: 1.0361652534904031
Energy: 1.033268128204885
Energy: 1.0332300746978165
Energy: 1.036629859654352
Energy: 1.0332300746989391
Energy: 1.0423923087106404
Energy: 1.0391434859781243
Energy: 1.3565693979710358
Energy: 1.0391434859798083
Energy: 1.041387663977749
Energy: 1.0542624166387584
Energy: 1.0099006784944025
Energy: 1.054262416638197
Energy: 1.5254038167366328
Energy: 1.0399255496271635
Energy: 1.0349004033471958
Energy: 1.0399255496120563
Energy: 1.1511092533596226
Energy: 1.0333468729354587
Energy: 1.0348655153010198
Energy: 1.0333468729421955
Energy: 1.2845198449713424
Energy: 1.0390512983673195
Energy: 1.0340926388324716
Energy: 1.0390512983656353

minimum gb energy = 1.0091112903639803 eV
minimum distance =  2.49354415878925 Angstroms
sigma value = 89


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

Energy: 1.77513983452117
Energy: 0.9480242446283081
Energy: 0.9499891778886257
Energy: 0.9801643229035077
Energy: 0.9501978154452164
Energy: 1.0303980720271437
Energy: 0.9487243234869944
Energy: 1.0303980720271437
Energy: 0.9407445956892682
Energy: 1.0311790566652534
Energy: 0.9720104167552553
Energy: 1.0311790566652534
Energy: 0.9423707561122745
Energy: 1.0323259361226367
Energy: 0.9487192985819253
Energy: 1.0323259361211679
Energy: 0.9475060818263855
Energy: 0.9471933563140237
Energy: 0.9645713896307945
Energy: 0.9471933563081478
Energy: 0.9467244559822947
Energy: 0.9471937629188898
Energy: 0.9632007001769837
Energy: 0.9471937629188898
Energy: 0.946777052693216
Energy: 0.9457398829340358
Energy: 0.9495817933250633
Energy: 0.9457398829340358
Energy: 0.9493218051912008
Energy: 0.9502497076758466
Energy: 0.9405594793860063
Energy: 0.9502497076758466
Energy: 0.9517171839374934
Energy: 0.9488006478392805
Energy: 0.9523669697900089
Energy: 0.9488006478407495
Energy: 0.9681696074988364
Energy: 1.0326608156784507
Energy: 0.9513878185399395
Energy: 1.0326608156798864
Energy: 0.9500004297192227
Energy: 1.021829189512096
Energy: 0.93939441236809
Energy: 1.021829189510627
Energy: 0.9625717792448508
Energy: 0.9518326105612289
Energy: 0.9513500693784709
Energy: 0.95183261055976
Energy: 0.9645052648390318
Energy: 0.9484014114186782
Energy: 0.9471587057922554
Energy: 0.9484014114186782
Energy: 0.9489536146331576
Energy: 0.9454474240065116
Energy: 0.9457817599840586
Energy: 0.9454474240079807
Energy: 0.9405182608824695
Energy: 0.9478252882101269
Energy: 0.9488848756183428
Energy: 0.947825288211596

minimum gb energy = 0.93939441236809 eV
minimum distance =  2.50908901355813 Angstroms
sigma value = 13


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

Energy: 1.573088775135278
Energy: 0.9089582908068281
Energy: 1.1414594262582656
Energy: 0.8987402755057788
Energy: 1.0488700381829141
Energy: 0.905433410758665
Energy: 1.0527436964407149
Energy: 0.905433410756818
Energy: 0.9092476253580704
Energy: 0.9029456643149767
Energy: 1.072193581749835
Energy: 0.9029456643008159
Energy: 1.2248144697792287
Energy: 0.9063652043747878
Energy: 1.0534121898973405
Energy: 0.9063652043433877
Energy: 1.0590025839169093
Energy: 0.9059007740498339
Energy: 1.3458749752671681
Energy: 0.9059007740486026
Energy: 1.0556192796395225
Energy: 0.9046341978132602
Energy: 1.3220220950886272
Energy: 0.9046341978169543
Energy: 1.0567785724874124
Energy: 0.9034471571082402
Energy: 1.0506407246218916
Energy: 0.903447157110703
Energy: 1.0555363652262648
Energy: 0.9033686301372578
Energy: 1.3165374424599394
Energy: 0.9033686301378735
Energy: 0.9019605055238369
Energy: 0.9072217980433178
Energy: 1.0477739956859813
Energy: 0.9072217980451088
Energy: 0.902358764407693
Energy: 0.9034687653117109
Energy: 1.0630263949251326
Energy: 0.9034687653123267
Energy: 0.9054750153765792
Energy: 0.9047263726881367
Energy: 1.5753900673984595
Energy: 0.904726372687521
Energy: 1.064825445027596
Energy: 0.903598492606189
Energy: 1.0559993402233852
Energy: 0.9035984926068046
Energy: 1.364156462937993
Energy: 0.9468688841750267
Energy: 1.0630364123729255
Energy: 0.9468688841756424
Energy: 1.0539994360590064
Energy: 0.9450261494131665
Energy: 1.2270843372081883
Energy: 0.9450261494150135
Energy: 1.0497868868610079
Energy: 0.9054901128671493
Energy: 1.0549066510557428
Energy: 0.9054901128523728
Energy: 1.0483816209698262
Energy: 0.9057137697630762
Energy: 0.9077432898621479
Energy: 0.9057137697643074
Energy: 1.0545890286706052
Energy: 0.9046161510203734
Energy: 0.90367530370216
Energy: 0.9046161510203734
Energy: 0.9077747519557677
Energy: 0.9031340453303431
Energy: 0.9060568230528027
Energy: 0.9031340453272647
Energy: 1.1990484112110968
Energy: 0.9046457025010536
Energy: 1.0499204575678804
Energy: 0.9046457024992064
Energy: 1.0639260393451513
Energy: 0.9030135244605382
Energy: 1.068349307194713
Energy: 0.9030135244611538
Energy: 1.2246939247618933
Energy: 0.9057873615451758
Energy: 1.050232289102736
Energy: 0.9057873615445601
Energy: 1.0640574042876816
Energy: 0.9619944849570147
Energy: 1.322826143868308
Energy: 0.9619944849551677
Energy: 1.0624931898540142
Energy: 0.9075893822881123
Energy: 1.346410276309239
Energy: 0.907589382284418
Energy: 0.9099470781214317
Energy: 0.9024571589620536
Energy: 1.0543079207979487
Energy: 0.9024571589675948
Energy: 1.0501899508880455
Energy: 0.9049996994520726
Energy: 1.3165593098142128
Energy: 0.9049996994496099
Energy: 0.9046095933256695
Energy: 0.9039290942004524
Energy: 1.0479638102790192
Energy: 0.9039290942004524
Energy: 0.9031291293041754
Energy: 0.9034849312892247
Energy: 1.0573538718975821
Energy: 0.9034849312904559
Energy: 0.9028251343820536
Energy: 0.907939910682576
Energy: 0.9113160872372085
Energy: 0.9079399106838074
Energy: 1.0609024746871232
Energy: 0.9024999815917898
Energy: 1.1867554760918475
Energy: 0.9024999815917898
Energy: 1.0672195195096332
Energy: 0.9443023199183614
Energy: 1.0587599777529195
Energy: 0.9443023199202085
Energy: 1.055739548266519
Energy: 0.945900357078406
Energy: 1.2257052401791622
Energy: 0.945900357078406
Energy: 1.048824395794387
Energy: 0.9044986411369278
Energy: 1.0570897546280162
Energy: 0.9044986411363121
Energy: 1.0483419195424244
Energy: 0.905642811361396
Energy: 0.9031054230644628
Energy: 0.905642811363243
Energy: 1.2258962062660066
Energy: 0.9035358294483768
Energy: 0.9035809322186359
Energy: 0.9035358294416043
Energy: 1.1856867581578574
Energy: 0.9043632048087985
Energy: 0.90802241839253
Energy: 0.9043632048118768

minimum gb energy = 0.8987402755057788 eV
minimum distance =  2.50619705343291 Angstroms
sigma value = 37


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

Energy: 1.5333636903496555
Energy: 0.8525507828465723
Energy: 0.8526681689496524
Energy: 0.8407121930259198
Energy: 1.3248198912637565
Energy: 0.8521374940120154
Energy: 1.098063609875916
Energy: 0.8521374940120154
Energy: 1.2088168932592842
Energy: 0.9400762258293272
Energy: 1.1064708579016993
Energy: 0.9400762258293272
Energy: 1.217048609441432
Energy: 1.0505758088475436
Energy: 1.1026603774595967
Energy: 1.0505758088486028
Energy: 1.0755058195617608
Energy: 0.834369786884266
Energy: 1.2170447149325314
Energy: 0.834369786884266
Energy: 1.0860382290387458
Energy: 0.8295061355853627
Energy: 1.3455062713143513
Energy: 0.8295061355843034
Energy: 0.9681405708315445
Energy: 0.8295569530983204
Energy: 1.3200285383210697
Energy: 0.8295569530972612
Energy: 0.9733952499549617
Energy: 0.826854197858396
Energy: 0.9704129905756295
Energy: 0.8268541978573367
Energy: 0.9619534556107625
Energy: 0.8309986998979659
Energy: 1.1999719458117233
Energy: 0.8309986998979659
Energy: 0.959199381912043
Energy: 0.8244945382818937
Energy: 1.3198094999887546
Energy: 0.8244945382818937
Energy: 1.0109000849951673
Energy: 1.010229514107007
Energy: 1.3750649312809047
Energy: 1.010229514107007
Energy: 1.2085854938634608
Energy: 0.8246731127385472
Energy: 1.3190595066080728
Energy: 0.8246731127385472
Energy: 1.2057557208250158
Energy: 0.910935636892032
Energy: 1.2091416880182353
Energy: 0.910935636887795
Energy: 1.2074176148144662
Energy: 0.9111076200056937
Energy: 1.2164503164133211
Energy: 0.9111076200056937
Energy: 1.2170447149325314
Energy: 0.9127136020335986
Energy: 1.0830701840917318
Energy: 0.9127136020346579
Energy: 1.3260332248771964
Energy: 0.9120641118931732
Energy: 1.1031934811248454
Energy: 0.9120641118931732
Energy: 1.3255245075721953
Energy: 0.9116706252017098
Energy: 0.968570390799188
Energy: 0.9116706251911172
Energy: 0.9701706271625026
Energy: 0.9678674086117134
Energy: 0.8625342414488975
Energy: 0.9678674086117134
Energy: 1.1999719459535925
Energy: 0.8510906173578047
Energy: 0.8510332038135205
Energy: 0.8510906173567454
Energy: 1.3326498575490127
Energy: 0.852754081165128
Energy: 0.8514003857110308
Energy: 0.852754081165128

minimum gb energy = 0.8244945382818937 eV
minimum distance =  2.49745858640849 Angstroms
sigma value = 25


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

Energy: 1.6214058072201625
Energy: 0.7399981229396011
Energy: 1.0123790977399114
Energy: 0.7486368599861547
Energy: 1.3109230822520639
Energy: 0.7393753724288674
Energy: 0.9426176962014554
Energy: 0.7393753724288674
Energy: 1.4694282691481855
Energy: 0.7393084167493774
Energy: 0.9465323218619666
Energy: 0.7393084167493774
Energy: 1.1520174511370243
Energy: 0.7399516992382047
Energy: 0.9431985423313092
Energy: 0.7399516992390317
Energy: 1.1610505924244676
Energy: 0.8091668227457134
Energy: 1.3103156398092233
Energy: 0.809166822744059
Energy: 1.1457738269019688
Energy: 0.8067565261766458
Energy: 1.3119912833992016
Energy: 0.8067565261766458
Energy: 1.1560408495253285
Energy: 0.808933315055845
Energy: 1.16200765527155
Energy: 0.808933315055845
Energy: 0.9426391566878312
Energy: 0.740193332610071
Energy: 1.3286304488183422
Energy: 0.7401933326108981
Energy: 0.9473137690913893
Energy: 0.7384668840258447
Energy: 1.3099502490709025
Energy: 0.7384668840266718
Energy: 0.9435670403219655
Energy: 0.7397786962738333
Energy: 1.3101598736954572
Energy: 0.7397786962738333
Energy: 0.7419374023803981
Energy: 0.7395732944276356
Energy: 1.3857284477225746
Energy: 0.7395732862251512
Energy: 0.7394411206790923
Energy: 0.739599820668511
Energy: 1.309856173795064
Energy: 0.739599820668511
Energy: 0.7412104462852056
Energy: 0.7388637891984717
Energy: 1.15033627928927
Energy: 0.738863789199299
Energy: 0.7490006383956972
Energy: 0.7392126083227437
Energy: 1.4949216646087093
Energy: 0.7392126083227437
Energy: 0.953081473236064
Energy: 0.7387426733929118
Energy: 1.1621289903103684
Energy: 0.7387426733929118
Energy: 0.9424227029449114
Energy: 0.7411782194481292
Energy: 1.4642182420061192
Energy: 0.7411782194473021
Energy: 1.1610670018787446
Energy: 0.7389122492872671
Energy: 1.4894821407333412
Energy: 0.7389122492872671
Energy: 0.9464532541894145
Energy: 0.8127075211066798
Energy: 1.1606692191258778
Energy: 0.8127075211066798
Energy: 1.30990060404543
Energy: 0.8079290160046202
Energy: 1.148091848525193
Energy: 0.8079290160054474
Energy: 1.1618185923354416
Energy: 0.8068091506805252
Energy: 1.1456296435060456
Energy: 0.8068091506780437
Energy: 1.3880631496609934
Energy: 0.7393273081273135
Energy: 0.9524891045647855
Energy: 0.7393273081273135
Energy: 1.310950157962103
Energy: 0.7378915479135452
Energy: 0.739615622187409
Energy: 0.7378915479135452
Energy: 1.307513953930159
Energy: 0.7381579125769999
Energy: 0.941967166875052
Energy: 0.7381579125786542
Energy: 1.3193898108105588
Energy: 0.745078368610637
Energy: 0.7395256134396361
Energy: 0.7450783686114641
Energy: 1.1635617183516895
Energy: 0.7387216447810999
Energy: 0.7392341519708044
Energy: 0.7387216447819271
Energy: 1.46183315972025
Energy: 0.7402259439521328
Energy: 0.7404050773558323
Energy: 0.7402259439504785

minimum gb energy = 0.7378915479135452 eV
minimum distance =  2.51121758165222 Angstroms
sigma value = 41


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

Energy: 1.7735318446043593
Energy: 0.6756072424977229
Energy: 0.9597553466331366
Energy: 0.6837921806342646
Energy: 1.3109364836990947
Energy: 0.6720150295719489
Energy: 0.8397069857539738
Energy: 0.6720150295719489
Energy: 1.5675481752613512
Energy: 0.6709916142586528
Energy: 0.8459265812148621
Energy: 0.6709916142586528
Energy: 1.3112099032998907
Energy: 0.6715367276514133
Energy: 1.027194860988177
Energy: 0.6715367276839632
Energy: 1.311151612094095
Energy: 0.6695203256316294
Energy: 1.1600999354398347
Energy: 0.6695203256323076
Energy: 1.3016163016117677
Energy: 0.8984747169809201
Energy: 1.157645587006158
Energy: 0.8984747169809201
Energy: 1.3119837158222714
Energy: 0.7297940482854431
Energy: 1.3117416972980118
Energy: 0.7297940482861213
Energy: 1.1687341613751234
Energy: 0.7267262996505459
Energy: 1.1598077742636612
Energy: 0.7267262996552618
Energy: 1.0102094142490532
Energy: 0.6729026139590706
Energy: 1.4339294783521543
Energy: 0.6729026139570362
Energy: 1.0086401869894315
Energy: 0.6695184116332175
Energy: 1.3109100322857687
Energy: 0.66951841163593
Energy: 0.8578174614558339
Energy: 0.6729046316259706
Energy: 1.5741202289749625
Energy: 0.6729046316286831
Energy: 0.8401689180567353
Energy: 0.6702174807377675
Energy: 1.3085446097299709
Energy: 0.670217480735055
Energy: 0.8424436125515136
Energy: 0.6710356076913583
Energy: 1.431565644800163
Energy: 0.6710356076913583
Energy: 0.6744396483340439
Energy: 0.6717630467416544
Energy: 1.4287606512669393
Energy: 0.6717630467443669
Energy: 0.6706452383377738
Energy: 0.6707529843603076
Energy: 1.3087027440941044
Energy: 0.6707529843609858
Energy: 0.6722262856830784
Energy: 0.6703931361737698
Energy: 1.5695901634128757
Energy: 0.6703931361724136
Energy: 0.8462515554346198
Energy: 0.6729142958383818
Energy: 1.3066611441569393
Energy: 0.672914295839738
Energy: 0.8373919143089011
Energy: 0.668859271752221
Energy: 1.3065707817983336
Energy: 0.668859271751543
Energy: 0.8431664760575358
Energy: 0.6721429107468546
Energy: 1.3041173361027467
Energy: 0.6721429107421077
Energy: 1.160151233413594
Energy: 0.6700555807305366
Energy: 1.3024461177772397
Energy: 0.6700555807312146
Energy: 1.1900888685030526
Energy: 0.6701969153268889
Energy: 1.3076679029381435
Energy: 0.6701969153262108
Energy: 1.1602841547088354
Energy: 0.7255737732642707
Energy: 1.3138353077213125
Energy: 0.7255737732649489
Energy: 1.4333790808636435
Energy: 0.7254460924298433
Energy: 1.2992128958166793
Energy: 0.7254460924318776
Energy: 1.159246989362088
Energy: 0.7270167049076076
Energy: 1.159559459173707
Energy: 0.7270167049164232
Energy: 1.3089376939246824
Energy: 0.6698096924143322
Energy: 1.0018613691050373
Energy: 0.6698096924177228
Energy: 1.435100095840753
Energy: 0.6718123128955426
Energy: 1.1573825053522557
Energy: 0.6718123128955426
Energy: 1.439348057448832
Energy: 0.6731114991347785
Energy: 0.8434801200017676
Energy: 0.6731114991347785
Energy: 1.3112686153646043
Energy: 0.6698307106478177
Energy: 0.8388402947647499
Energy: 0.6698307106559552
Energy: 1.4380760023585986
Energy: 0.6717069251209192
Energy: 0.8496584596405573
Energy: 0.6717069251215975
Energy: 1.4359056397934398
Energy: 0.6714213781998163
Energy: 0.6732365507833666
Energy: 0.6714213781998163
Energy: 1.3069484563610183
Energy: 0.6706076017649917
Energy: 0.6729593285371576
Energy: 0.6706076017643136
Energy: 1.5857895890668952
Energy: 0.6718228884854851
Energy: 0.6743791436596561
Energy: 0.6718228884854851

minimum gb energy = 0.668859271751543 eV
minimum distance =  2.51188166504435 Angstroms
sigma value = 15


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

Energy: 1.617117947634398
Energy: 0.6245201467695515
Energy: 0.9141086406460474
Energy: 0.6268501194798799
Energy: 1.4168698209495145
Energy: 0.6220153022724627
Energy: 0.7667240688430731
Energy: 0.6220153022724627
Energy: 1.4290088141409005
Energy: 0.6212019610006065
Energy: 0.7689930429634654
Energy: 0.621201961001181
Energy: 1.477335290937557
Energy: 0.6232586869697588
Energy: 1.0530565145772925
Energy: 0.6232586869995789
Energy: 1.4136617317598765
Energy: 0.6201830266450875
Energy: 1.0397407008434287
Energy: 0.6201830266473853
Energy: 1.466356274698997
Energy: 0.619926474722922
Energy: 1.0372011114062851
Energy: 0.619926474722922
Energy: 1.2293820419466253
Energy: 0.6292430102011508
Energy: 1.2885689873230513
Energy: 0.6292430102034486
Energy: 1.2988581851756005
Energy: 0.6723528764249904
Energy: 1.1079934918505991
Energy: 0.6723528764180968
Energy: 1.2279906283887134
Energy: 0.6682759472001379
Energy: 1.284477576885959
Energy: 0.6682759472018613
Energy: 1.225123964203711
Energy: 0.6222944739558538
Energy: 1.2909860254375016
Energy: 0.6222944741189503
Energy: 1.0496284104078233
Energy: 0.6172682798915906
Energy: 1.4514950522363044
Energy: 0.6172682798904415
Energy: 0.970614729948869
Energy: 0.6172517666280309
Energy: 1.5136996282093151
Energy: 0.6172517666286054
Energy: 1.0369512539071095
Energy: 0.6188151814736391
Energy: 1.577246247235167
Energy: 0.6188151814248615
Energy: 0.7699970559855455
Energy: 0.619555712257795
Energy: 1.3626828195523029
Energy: 0.619555712258944
Energy: 0.7650694674463902
Energy: 0.6173192584020031
Energy: 1.4048730191212984
Energy: 0.6173192584025775
Energy: 0.762194623593008
Energy: 0.6178177634347413
Energy: 1.5773260904648294
Energy: 0.6178177634353157
Energy: 0.6920252568269328
Energy: 0.6185013506083256
Energy: 1.5857721951026869
Energy: 0.6185013506111978
Energy: 0.68668866621223
Energy: 0.6170475609732382
Energy: 1.409693967817384
Energy: 0.6170475609732382
Energy: 0.6961432317645561
Energy: 0.6188171380068148
Energy: 1.410211601775292
Energy: 0.6188171380079638
Energy: 0.8408569247021911
Energy: 0.6172471044894899
Energy: 1.6413137419184396
Energy: 0.6172471044894899
Energy: 0.8258653590553205
Energy: 0.6186659326605014
Energy: 1.4127575400326757
Energy: 0.6186659326984164
Energy: 0.8422742269236027
Energy: 0.6168732853534793
Energy: 1.476325365301231
Energy: 0.6168732853529049
Energy: 1.028473501920709
Energy: 0.6169972812093611
Energy: 1.4629296852938272
Energy: 0.6169972812093611
Energy: 1.0403999082450832
Energy: 0.6167715524770911
Energy: 1.4018164271553188
Energy: 0.6167715524730699
Energy: 1.0374611113480834
Energy: 0.620730918775556
Energy: 1.2345575264136999
Energy: 0.620730918804854
Energy: 1.2876487743572584
Energy: 0.8304790950244734
Energy: 1.4016638227064333
Energy: 0.8304790950250478
Energy: 1.1018874668283478
Energy: 0.6672825089693863
Energy: 1.2844934199120313
Energy: 0.6672825089682374
Energy: 1.2942894102933102
Energy: 0.6664676709753761
Energy: 1.23454005517842
Energy: 0.6664676709805463
Energy: 1.3611536850836803
Energy: 0.6731402648399424
Energy: 1.164743066313603
Energy: 0.6731402647641649
Energy: 1.3468089380404522
Energy: 0.619977856368956
Energy: 1.0379032950322822
Energy: 0.6199778563643602
Energy: 1.4134655554629365
Energy: 0.6201757146238532
Energy: 0.9713101305130498
Energy: 0.6201757145957566
Energy: 1.3577956697994011
Energy: 0.6218359979157211
Energy: 1.0308774210765335
Energy: 0.6218359979151467
Energy: 1.5774203966998184
Energy: 0.6221337533126551
Energy: 0.7686158219320294
Energy: 0.6221337533132295
Energy: 1.4158069568082765
Energy: 0.6211579077627019
Energy: 0.7679400206117822
Energy: 0.6211579077609785
Energy: 1.604832404332855
Energy: 0.698651304678894
Energy: 0.6264817573281206
Energy: 0.6986513046926812
Energy: 1.4155096671912906
Energy: 0.6202778069969067
Energy: 0.6230244493875136
Energy: 0.6202778069969067
Energy: 1.3512004962282327
Energy: 0.6217050468663463
Energy: 0.6240603578384949
Energy: 0.6217050468909963

minimum gb energy = 0.6167715524730699 eV
minimum distance =  2.50742106434288 Angstroms
sigma value = 85


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

Energy: 1.6320621115792826
Energy: 0.5618189835004741
Energy: 0.5611268885840427
Energy: 0.5635273968785595
Energy: 1.4731997678380198
Energy: 0.5603315442210609
Energy: 0.6844615563471474
Energy: 0.5603315442210609
Energy: 1.4659152976428687
Energy: 0.5603155275565506
Energy: 0.6853134749349562
Energy: 0.5603155275555541
Energy: 1.251609522662943
Energy: 0.5603742620954804
Energy: 0.9268911922985432
Energy: 0.5603742620954804
Energy: 1.4706680157002991
Energy: 0.5577061028020989
Energy: 0.9260369926766827
Energy: 0.5577061028020989
Energy: 1.2545654291430264
Energy: 0.5582080342751089
Energy: 0.9270236095830257
Energy: 0.55820803428607
Energy: 1.2533954847888182
Energy: 0.5578486885384571
Energy: 1.1475588222975095
Energy: 0.5578486885374607
Energy: 1.3609873387188938
Energy: 0.5589609220211157
Energy: 0.9296103745547418
Energy: 0.5589609212840649
Energy: 1.2604326776035586
Energy: 0.7700197156236406
Energy: 1.1484637907569335
Energy: 0.7700197156236406
Energy: 1.2577803287365044
Energy: 0.6414951250683343
Energy: 1.3596655289234565
Energy: 0.6414951250563765
Energy: 1.150293519013021
Energy: 0.6408163442859409
Energy: 1.2036050801877003
Energy: 0.6408163444199213
Energy: 1.0428111720970876
Energy: 0.5590863339135885
Energy: 1.3607027007726633
Energy: 0.5590863338981431
Energy: 1.1471842688996148
Energy: 0.5580080787670113
Energy: 1.360385294889041
Energy: 0.5580080787670113
Energy: 0.9267842426549864
Energy: 0.5581925585062553
Energy: 1.1453898733196106
Energy: 0.5581925585092448
Energy: 0.7978084670885356
Energy: 0.558050948638756
Energy: 1.4705661561966143
Energy: 0.5580509486238089
Energy: 0.9311750793731197
Energy: 0.5585518930012145
Energy: 1.3616166937520457
Energy: 0.5585518930012145
Energy: 0.6865014988992778
Energy: 0.559545269020432
Energy: 1.358768261136755
Energy: 0.5595452690209302
Energy: 0.6790301982698863
Energy: 0.5583010307117199
Energy: 1.470478728877277
Energy: 0.558301030712218
Energy: 0.6860230129164878
Energy: 0.5608526075910967
Energy: 1.4664679314292375
Energy: 0.5608526075910967
Energy: 0.5618862236762566
Energy: 0.5606303271829407
Energy: 1.4677658680556418
Energy: 0.5606303271829407
Energy: 0.559625191916285
Energy: 0.5586273546257849
Energy: 1.47142812388093
Energy: 0.5586273546257849
Energy: 0.5625414257776385
Energy: 0.5610845175674877
Energy: 1.4785993532200943
Energy: 0.5610845175669895
Energy: 0.6898729063358751
Energy: 0.56043955263864
Energy: 1.4635069667474334
Energy: 0.56043955263864
Energy: 0.6817111141226089
Energy: 0.558247119175662
Energy: 1.4726908052161096
Energy: 0.5582471191761603
Energy: 0.6880678714255674
Energy: 0.5587745801998808
Energy: 1.25192083516874
Energy: 0.5587745801949211
Energy: 0.9261489967992259
Energy: 0.5584690725997782
Energy: 1.4641335811478227
Energy: 0.5584690725997782
Energy: 0.9258146773476812
Energy: 0.5577735365724464
Energy: 1.464919550570929
Energy: 0.5577735365704537
Energy: 0.9301414603367224
Energy: 0.5588926565364671
Energy: 1.2647540978348975
Energy: 0.5588926565364671
Energy: 1.1523027179702983
Energy: 0.5578129173833515
Energy: 1.4710075555153264
Energy: 0.5578129173798638
Energy: 1.1483470758144982
Energy: 0.5583392080716202
Energy: 1.2544867834748066
Energy: 0.5583392086548064
Energy: 1.2667950339364054
Energy: 0.6423975951109195
Energy: 1.040483155682488
Energy: 0.6423975951109195
Energy: 1.1497977361773613
Energy: 0.6424112558353599
Energy: 1.2669809894499813
Energy: 0.6424112559354599
Energy: 1.3614692513591897
Energy: 0.5580423465083979
Energy: 1.0384436416205491
Energy: 0.5580423508535882
Energy: 1.4710827161662143
Energy: 0.5580500889349883
Energy: 1.0394187357073623
Energy: 0.5580500882880733
Energy: 1.169745749627482
Energy: 0.559802760529884
Energy: 0.9276575361498506
Energy: 0.5598027626927751
Energy: 1.4710800253923855
Energy: 0.5578031707510926
Energy: 0.9251447385179957
Energy: 0.5578031707500962
Energy: 1.5638866182859716
Energy: 0.5586002397896028
Energy: 0.9260750751173018
Energy: 0.5586002397896028
Energy: 1.3603261497994308
Energy: 0.5590329585275732
Energy: 0.6872714585728109
Energy: 0.5590329585270749
Energy: 1.471376208968736
Energy: 0.5581827654215982
Energy: 0.680768581929635
Energy: 0.558182765423591
Energy: 1.4663826731337923
Energy: 0.5596938876579632
Energy: 0.6910922429285796
Energy: 0.5596938876579632
Energy: 1.3616298235947986
Energy: 0.5603330058632476
Energy: 0.5609027075180991
Energy: 0.5603330058637458
Energy: 1.4708288165339127
Energy: 0.5581828122908169
Energy: 0.5587539355324765
Energy: 0.5581828122903187
Energy: 1.4649773638994248
Energy: 0.5602593020984692
Energy: 0.5592656925906458
Energy: 0.5602593020984692

minimum gb energy = 0.5577061028020989 eV
minimum distance =  2.516124233505 Angstroms
sigma value = 113


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

Energy: 0.014660631839459657
Energy: 0.43286830276335436
Energy: 1.224791573353224
Energy: 0.015610719403906901
Energy: 0.8971320069843781
Energy: 0.10821701345169889
Energy: 0.8981363646334416
Energy: 0.10821701345169889
Energy: 0.01522862157633047
Energy: 0.1068700818318723
Energy: 0.8963559139594842
Energy: 0.1068700818318723
Energy: 0.016470283041572057
Energy: 0.10664999712715922
Energy: 0.8963837718487163
Energy: 0.1066499971267762
Energy: 0.8990399970913272
Energy: 0.10955958644970074
Energy: 0.8994418678297392
Energy: 0.10955958644970074
Energy: 0.015331688793270617
Energy: 0.10655882158617673
Energy: 0.8959952198491731
Energy: 0.10655882158655974

minimum gb energy = 0.014660631839459657 eV
minimum distance =  2.71838822315005 Angstroms
sigma value = 1