Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553245961666107
cohesive_energy=4.122759350632683
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.460228174882739e-19, -1.493475358089636e-18, -2.3894061231159e-18, -4.01869158576318e-18, -7.22025706642002e-18, -1.3768641361372139e-17, -2.8149442371062997e-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: 0.012744129495760103
Energy: 0.9274372133845825
Energy: 1.6368685435586703
Energy: 0.012845007591061601
Energy: 0.9274372133845825
Energy: 0.21459184902178385
Energy: 0.9270638918234052
Energy: 0.21459184902178385
Energy: 1.6368685435596757
Energy: 0.9270638918234052
Energy: 1.2545993147783903
Energy: 0.9270638918234052
Energy: 0.012845007591061601
Energy: 0.21459184902178385
Energy: 0.9270638918234052
Energy: 0.21459184902178385

minimum gb energy = 0.012744129495760103 eV
minimum distance =  2.43124147963733 Angstroms
sigma value = 1


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

Energy: 1.9810551919615358
Energy: 0.8903514664353129
Energy: 0.8917708415825549
Energy: 1.005727847474797
Energy: 1.733389859844396
Energy: 0.9911273817699919
Energy: 0.9902788302172291
Energy: 0.9911273817687726
Energy: 1.7441829598889609
Energy: 0.8926380768601517
Energy: 0.8926640073977602
Energy: 0.8926380768601517
Energy: 1.7453310311545862
Energy: 0.918856977313428
Energy: 0.8909822343670637
Energy: 0.918856977313428
Energy: 1.83210831197104
Energy: 0.8903728265901545
Energy: 1.2822465826472318
Energy: 0.8903728265901545
Energy: 1.755319157052286
Energy: 0.9190454290730855
Energy: 1.2013014653239134
Energy: 0.9190454290730855
Energy: 1.6573149478772704
Energy: 0.8922383980595683
Energy: 1.2155560226137723
Energy: 0.892238398058349
Energy: 1.5017674575830884
Energy: 0.8904407871900702
Energy: 1.1798900842774345
Energy: 0.8904407871900702
Energy: 1.438556435118541
Energy: 0.8902569274727337
Energy: 1.1795869175461897
Energy: 0.8902569274715144
Energy: 1.5123488687277937
Energy: 0.9555867080072251
Energy: 1.5092219188362963
Energy: 0.9555867080084444
Energy: 1.4987569090291697
Energy: 0.8904760845853462
Energy: 1.4214685055554528
Energy: 0.8904760845853462
Energy: 1.1824095148226241
Energy: 0.8907191937334002
Energy: 1.5097606968507409
Energy: 0.8907191937358389
Energy: 1.2468636232466557
Energy: 0.8919920958667598
Energy: 1.4985000434223315
Energy: 0.8919920958667598
Energy: 1.200424699396234
Energy: 0.9187494579135124
Energy: 1.75459887718947
Energy: 0.9187494579135124
Energy: 1.2087405178163324
Energy: 0.8907084168776892
Energy: 1.571371431395747
Energy: 0.8907084168776892
Energy: 0.8905554257206306
Energy: 0.9187988802984421
Energy: 1.7589469597179939
Energy: 0.9187988802984421
Energy: 0.8926136813433376
Energy: 0.8921312632767636
Energy: 1.7627555595421132
Energy: 0.8921312632767636
Energy: 0.9597905226431211
Energy: 0.9239415480750286
Energy: 1.732541243329931
Energy: 0.9239415480750286
Energy: 0.8910945244752078
Energy: 0.8905314169208195
Energy: 1.6548800049774695
Energy: 0.8905314169220389
Energy: 1.035857068736434
Energy: 0.9575921295740408
Energy: 1.7441816004573651
Energy: 0.9575921295740408
Energy: 0.9982903130737938
Energy: 0.8919328708280775
Energy: 1.7437641957472214
Energy: 0.8919328708280775
Energy: 0.9960752696110166
Energy: 0.8901648299972682
Energy: 1.6784766366257584
Energy: 0.8901648299972682
Energy: 0.9917345569091294
Energy: 0.8901246097794735
Energy: 1.49583408376368
Energy: 0.8901246097794735
Energy: 1.3441127836355202
Energy: 0.8903103332710126
Energy: 1.681683340405623
Energy: 0.8903103332722319
Energy: 1.3700251599646633
Energy: 0.8916437779649296
Energy: 1.6664530998356923
Energy: 0.8916437779637102
Energy: 1.3456214545044713
Energy: 1.140246584154632
Energy: 1.3416186275920838
Energy: 1.140246584154632
Energy: 1.3452111150349648
Energy: 0.9571788817347961
Energy: 1.4276408441200188
Energy: 0.9571788817347961
Energy: 1.6790707203374908
Energy: 0.8904414017507148
Energy: 1.34083797201029
Energy: 0.8904414017507148
Energy: 1.572833734524181
Energy: 0.8903524369822873
Energy: 1.3499539771612794
Energy: 0.8903524369822873
Energy: 1.5706324806847827
Energy: 0.8903233010687045
Energy: 0.996463493270677
Energy: 0.8903233010687045
Energy: 1.6674472671854133
Energy: 0.891055243645855
Energy: 1.009955629546526
Energy: 0.891055243645855
Energy: 1.746341941569148
Energy: 0.8919190786843737
Energy: 1.0365566326035607
Energy: 0.8919190786843737
Energy: 1.747059439609863
Energy: 0.8906237519569362
Energy: 0.9826160488144462
Energy: 0.8906237519569362

minimum gb energy = 0.8901246097794735 eV
minimum distance =  2.31382142784128 Angstroms
sigma value = 1


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

Energy: 2.1986347821264496
Energy: 0.9238295434653044
Energy: 0.9229701264614295
Energy: 1.084804899346105
Energy: 1.7106294506640403
Energy: 1.0023761126760182
Energy: 1.0018180275002042
Energy: 1.0023761126760182
Energy: 1.7080559145000016
Energy: 0.9233787646275186
Energy: 0.9230762807787146
Energy: 0.9233787646275186
Energy: 1.6965938769420172
Energy: 1.0019483621969052
Energy: 1.0060170136556297
Energy: 1.0019483621969052
Energy: 1.8522437673914367
Energy: 0.9242158476444782
Energy: 1.0812651295503872
Energy: 0.9242158476430878
Energy: 1.6930124504220245
Energy: 1.0020565836007085
Energy: 1.2292082230474979
Energy: 1.0020565836007085
Energy: 1.707920400895208
Energy: 0.9262535423618317
Energy: 1.1473706317819978
Energy: 0.9262535423618317
Energy: 1.5350100463751188
Energy: 0.9245263381082216
Energy: 1.1530702660509815
Energy: 0.9245263381082216
Energy: 1.5204945126476448
Energy: 0.9239904189670132
Energy: 1.1645326417229651
Energy: 0.9239904189670132
Energy: 1.52639443159398
Energy: 1.0026608913298785
Energy: 1.5177006920315455
Energy: 1.0026608913298785
Energy: 1.528107699100674
Energy: 0.9230829577240941
Energy: 1.3327630938213733
Energy: 0.9230829577240941
Energy: 1.141300923108392
Energy: 0.9244594402928209
Energy: 1.3330478710175426
Energy: 0.9244594402928209
Energy: 1.1983785424739495
Energy: 0.9236544747492023
Energy: 1.5189238012772066
Energy: 0.9236544747478119
Energy: 1.216195995756874
Energy: 0.923607618904707
Energy: 1.7091934793021337
Energy: 0.923607618904707
Energy: 1.0330266510394046
Energy: 0.9242748543209122
Energy: 1.6815032114510566
Energy: 0.9242748543223023
Energy: 1.0018498270363823
Energy: 1.0025609305475167
Energy: 1.7114551662383866
Energy: 1.0025609305475167
Energy: 0.9229094800905493
Energy: 0.9233722832579699
Energy: 1.7080661906085262
Energy: 0.9233722832579699
Energy: 1.005229310782303
Energy: 0.925813158141966
Energy: 1.6952623088192917
Energy: 0.9258131581405757
Energy: 1.0030756788420276
Energy: 0.924461617888938
Energy: 1.5033431959423313
Energy: 0.9244616178875479
Energy: 1.2224485109656305
Energy: 1.0021465279769934
Energy: 1.6937693261551472
Energy: 1.0021465279783834
Energy: 1.1442195054585678
Energy: 0.9263009894597836
Energy: 1.7079087233256236
Energy: 0.9263009894597836
Energy: 1.149750475238133
Energy: 0.9245157925075985
Energy: 1.5266620569504674
Energy: 0.9245157925089889
Energy: 1.1530477081003865
Energy: 0.9244182846483235
Energy: 1.5207868827554727
Energy: 0.9244182846483235
Energy: 1.5181285818027341
Energy: 1.0026294842085197
Energy: 1.5312766247065273
Energy: 1.0026294842071295
Energy: 1.3300967375320436
Energy: 0.924798544157524
Energy: 1.5271292858830152
Energy: 0.9247985441616946
Energy: 1.3297963622656084
Energy: 0.9245501412165196
Energy: 1.2164920148027982
Energy: 0.9245501412165196
Energy: 1.518506552964418
Energy: 0.9233258178189456
Energy: 1.221589507733125
Energy: 0.9233258178189456
Energy: 1.709574181381831
Energy: 0.9235471100499819
Energy: 1.2161454720258795
Energy: 0.9235471100499819
Energy: 1.7030118628420812
Energy: 0.9244593770152392
Energy: 1.1417543836298076
Energy: 0.9244593770152392

minimum gb energy = 0.9229094800905493 eV
minimum distance =  2.32035657184347 Angstroms
sigma value = 25


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

Energy: 2.0818777825658974
Energy: 0.9876807307627923
Energy: 0.9870838566942007
Energy: 1.0907273818690721
Energy: 1.6142676962909692
Energy: 1.026555868945323
Energy: 1.1085086007320801
Energy: 1.026555868945323
Energy: 1.617370980955936
Energy: 0.9902482817193707
Energy: 0.9901598627185427
Energy: 0.9902482817193707
Energy: 1.6178186860961656
Energy: 1.0173550006475915
Energy: 1.0188082365206634
Energy: 1.0173550006443595
Energy: 1.5333865980841883
Energy: 0.9865932996744564
Energy: 1.3976629964140637
Energy: 0.9865932996744564
Energy: 1.639620162920998
Energy: 1.0174862997354015
Energy: 1.3591235785799598
Energy: 1.0174862997354015
Energy: 1.6179488448976977
Energy: 1.1383547630629969
Energy: 1.3415059182372293
Energy: 1.1383547630629969
Energy: 1.3306787978850207
Energy: 1.2280945824335354
Energy: 1.3405661130089743
Energy: 1.2280945824335354
Energy: 1.3414471727653605
Energy: 1.1383833675996597
Energy: 1.3407591460228456
Energy: 1.1383833675996597
Energy: 1.36328255571765
Energy: 0.9872241851403238
Energy: 1.6193516726513038
Energy: 0.9872241851403238
Energy: 1.2958727751705457
Energy: 0.986952625803673
Energy: 1.6308325041517702
Energy: 0.986952625803673
Energy: 1.0183613063771682
Energy: 1.0178812388417868
Energy: 1.630202542557474
Energy: 1.0178812388417868
Energy: 0.9820476019746012
Energy: 0.9865009645388417
Energy: 1.616959833564009
Energy: 0.9865009645388417
Energy: 1.0673064086864952
Energy: 0.9870622611036188
Energy: 1.6142650856017446
Energy: 0.9870622611036188
Energy: 1.0185951877129873
Energy: 0.9875952843888393
Energy: 1.5314925448350243
Energy: 0.9875952843872232
Energy: 1.2361963729530179
Energy: 1.1082930675224976
Energy: 1.6153990427580667
Energy: 1.1082930675224976
Energy: 1.1245402930758455
Energy: 0.9870011696936855
Energy: 1.6181765345920656
Energy: 0.9870011696936855
Energy: 1.1238931726208763
Energy: 0.9874149110736254
Energy: 1.5281499927715214
Energy: 0.9874149110736254
Energy: 1.1980161150630775
Energy: 0.9876327529840059
Energy: 1.5005736864885209
Energy: 0.9876327529840059
Energy: 1.5469901153063295
Energy: 1.0744785335475056
Energy: 1.5285022636131782
Energy: 1.0744785335475056
Energy: 1.4342143161128904
Energy: 0.9866806916080564
Energy: 1.5279730897353954
Energy: 0.9866806916080564
Energy: 1.4349911168769962
Energy: 0.9873093133641881
Energy: 1.1667085730801856
Energy: 0.9873093133641881
Energy: 1.5282228756997291
Energy: 0.9888366904521821
Energy: 1.156701071008048
Energy: 0.9888366904521821
Energy: 1.6174884386426234
Energy: 0.9828033688800736
Energy: 1.2325228982329404
Energy: 0.9828033688800736
Energy: 1.6289486939006865
Energy: 0.9872620210361692
Energy: 1.1478250925378355
Energy: 0.9872620210361692

minimum gb energy = 0.9820476019746012 eV
minimum distance =  2.30991416931169 Angstroms
sigma value = 9


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

Energy: 1.8566628086484358
Energy: 1.1237454159130063
Energy: 1.1243797200086323
Energy: 1.3162618914224402
Energy: 1.5091562793236024
Energy: 1.0234334142750585
Energy: 1.1268455624716824
Energy: 1.023433414273328
Energy: 1.5551563265332247
Energy: 1.0246025114090767
Energy: 1.0263904166015785
Energy: 1.0246025114090767
Energy: 1.5562000585695286
Energy: 1.126255397841077
Energy: 1.1239227978564343
Energy: 1.126255397841077
Energy: 1.4285475743920626
Energy: 1.0256139348568962
Energy: 1.1667431004013333
Energy: 1.0256139348551434
Energy: 1.5094470663414368
Energy: 1.1755443792639801
Energy: 1.4133166758320754
Energy: 1.1755443792643743
Energy: 1.5540189541805909
Energy: 1.1766352651205862
Energy: 1.0034332805240942
Energy: 1.176635265118264
Energy: 1.3701182657539726
Energy: 1.1747005062324034
Energy: 1.333672462687586
Energy: 1.1747005062352953
Energy: 1.3030933723269311
Energy: 1.1752368408630538
Energy: 1.3365567685009099
Energy: 1.1752368408634484
Energy: 1.3708372666972024
Energy: 1.1762248554512857
Energy: 1.5093954668490028
Energy: 1.1762248554520744
Energy: 1.299187661850303
Energy: 1.125077690808152
Energy: 1.4862547510603
Energy: 1.1250776908089188
Energy: 1.124922676087276
Energy: 1.1263489429969165
Energy: 1.4854583579613168
Energy: 1.12634894299615
Energy: 1.1251228893642617
Energy: 1.02638953910061
Energy: 1.548541878015577
Energy: 1.0263895391012017
Energy: 1.1235964592282754
Energy: 1.0265071413333997
Energy: 1.5091604995426853
Energy: 1.0265071413320634
Energy: 1.125294436463274
Energy: 1.024007449653079
Energy: 1.427447104464674
Energy: 1.024007449652904
Energy: 1.4100923503258
Energy: 1.2660270316944453
Energy: 1.5561896616028636
Energy: 1.2660270316940727
Energy: 1.0032687804043563
Energy: 1.0263579186713807
Energy: 1.555774973495709
Energy: 1.0263579186735055
Energy: 1.0033071189807905
Energy: 1.1751276341400279
Energy: 1.3694795539137745
Energy: 1.175127634141189
Energy: 1.328429064197446
Energy: 1.1763733959327962
Energy: 1.444991018219466
Energy: 1.1763733959327962
Energy: 1.5057597009629577
Energy: 1.1755457060237078
Energy: 1.370346805089565
Energy: 1.1755457060240804
Energy: 1.4851620006174213
Energy: 1.1269753803117522
Energy: 1.3695085797214321
Energy: 1.1269753803113798

minimum gb energy = 1.0032687804043563 eV
minimum distance =  2.31846884936284 Angstroms
sigma value = 25


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

Energy: 1.62457595086649
Energy: 1.2030278545701916
Energy: 1.2489246374561762
Energy: 1.1870312022155973
Energy: 1.4433179942652092
Energy: 1.1318736066294695
Energy: 1.21280454107296
Energy: 1.131873606629957
Energy: 1.4496412723729124
Energy: 1.117475386723226
Energy: 1.11565736308418
Energy: 1.117475386723443
Energy: 1.4351504249688136
Energy: 1.1195597981909489
Energy: 1.1189656163925041
Energy: 1.1195597981911924
Energy: 1.3586102848308452
Energy: 1.1165420497966319
Energy: 1.496037419569153
Energy: 1.116542049795684
Energy: 1.453303159598891
Energy: 1.2391091045002378
Energy: 1.4259360201392286
Energy: 1.239109104499994
Energy: 1.449167365244313
Energy: 1.1185524221687357
Energy: 1.5010407646040194
Energy: 1.1185524221680312
Energy: 1.1186241042954912
Energy: 1.119398671159033
Energy: 1.4967956072796424
Energy: 1.119398671158789
Energy: 1.1192418038002767
Energy: 1.1173887074071074
Energy: 1.4418360541742976
Energy: 1.1173887074068904
Energy: 1.1861540663164394
Energy: 1.117399221628295
Energy: 1.4401486614066565
Energy: 1.1173992216299746
Energy: 1.1172472286644448
Energy: 1.1333246255080167
Energy: 1.4348661826414983
Energy: 1.1333246255080167
Energy: 1.4478295435489597
Energy: 1.131971476466593
Energy: 1.4336213814745238
Energy: 1.1319714764668365
Energy: 1.3040400168261677
Energy: 1.1170602826996576
Energy: 1.4422231834033343
Energy: 1.1170602826994136
Energy: 1.3025976999317794
Energy: 1.2417784405301429
Energy: 1.366740837091813
Energy: 1.2417784405301429
Energy: 1.3909435160645287
Energy: 1.2414847015662616
Energy: 1.3626905617511405
Energy: 1.2414847015660175
Energy: 1.441111605860594
Energy: 1.241337417216512
Energy: 1.369277787923594
Energy: 1.2413374172172436
Energy: 1.354172122912992
Energy: 1.24958186709951
Energy: 1.3812950148670162
Energy: 1.2495818670992933

minimum gb energy = 1.11565736308418 eV
minimum distance =  2.30396376084484 Angstroms
sigma value = 17


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

Energy: 1.6150466482159518
Energy: 1.1969969095582031
Energy: 1.2933378370482451
Energy: 1.230388602767553
Energy: 1.3936973164473452
Energy: 1.1321866035468815
Energy: 1.2963188009970394
Energy: 1.1321866035482318
Energy: 1.3937990582775768
Energy: 1.1328783863484875
Energy: 1.134450274740269
Energy: 1.1328783863498377
Energy: 1.411304983206434
Energy: 1.123320108496342
Energy: 1.1222323284874944
Energy: 1.1233201084976923
Energy: 1.407740703470725
Energy: 1.2717444996138711
Energy: 1.4349607886068163
Energy: 1.2717444996138711
Energy: 1.360038140965643
Energy: 1.1384021721466577
Energy: 1.350537011365355
Energy: 1.1384021721453075
Energy: 1.3863664777271059
Energy: 1.1570187005172237
Energy: 1.4420699127637633
Energy: 1.1570187005158734
Energy: 1.2267642662484408
Energy: 1.2272184060284883
Energy: 1.3860736920014243
Energy: 1.2272184060284883
Energy: 1.1550880119315756
Energy: 1.138413596564309
Energy: 1.3661433739983107
Energy: 1.138413596564309
Energy: 1.147299363932158
Energy: 1.1388894605695192
Energy: 1.3667242304797462
Energy: 1.1388894605681688
Energy: 1.140860725415196
Energy: 1.2378256324738428
Energy: 1.4124116788276453
Energy: 1.2378256324738428
Energy: 1.3616767127608764
Energy: 1.131772321036153
Energy: 1.3672005012705715
Energy: 1.131772321036153
Energy: 1.4428763330097352
Energy: 1.2579443449610876
Energy: 1.3701663057294884
Energy: 1.257944344962438
Energy: 1.4433453347969312
Energy: 1.1486835830528435
Energy: 1.148816893924797
Energy: 1.1486835830420719
Energy: 1.3450876846689288
Energy: 1.1312428877386373
Energy: 1.1506058690790584
Energy: 1.1312428877386373
Energy: 1.3448420100245437
Energy: 1.138425205205838
Energy: 1.1793645731538314
Energy: 1.138425205205838
Energy: 1.4223930889410794
Energy: 1.226225239100165
Energy: 1.2275921280043554
Energy: 1.226225239100165
Energy: 1.4227045811512145
Energy: 1.2262654278332559
Energy: 1.4268408858595276
Energy: 1.2262654278332559
Energy: 1.3446329049856816
Energy: 1.1380482411544781
Energy: 1.3761974481662296
Energy: 1.1380482411544781
Energy: 1.1624460903820595
Energy: 1.2715738063668964
Energy: 1.428357532542398
Energy: 1.2715738063682467
Energy: 1.121217276246395
Energy: 1.133765996479802
Energy: 1.3754571716921096
Energy: 1.133765996479802
Energy: 1.1912948770350336
Energy: 1.133012256219477
Energy: 1.3755144940775992
Energy: 1.133012256219477
Energy: 1.1873784368953826
Energy: 1.184862833058461
Energy: 1.3752794744703327
Energy: 1.184862833058461
Energy: 1.3127443204012157
Energy: 1.1349726435060703
Energy: 1.4218515237095213
Energy: 1.1349726435087708
Energy: 1.377356659678391
Energy: 1.1328580173379545
Energy: 1.3775888890326753
Energy: 1.1328580173379545
Energy: 1.2460311252056306
Energy: 1.2346361194241273
Energy: 1.3772295196888253
Energy: 1.234636119422777
Energy: 1.295210965402828
Energy: 1.2372304820122961
Energy: 1.2894939111467194
Energy: 1.2372304820122961
Energy: 1.384154349920542
Energy: 1.2344903945009946
Energy: 1.250542873421694
Energy: 1.2344903945009946
Energy: 1.3930707895063295
Energy: 1.1324357085559142
Energy: 1.3695427390659256
Energy: 1.1324357085559142
Energy: 1.3840737450867153
Energy: 1.135266909826307
Energy: 1.3119618653008545
Energy: 1.1352669098276573

minimum gb energy = 1.121217276246395 eV
minimum distance =  2.28755616651759 Angstroms
sigma value = 53


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

Energy: 1.0009828597055965
Energy: 1.5489320845287593
Energy: 1.0349450223981491
Energy: 1.0179095169529813
Energy: 1.0358752516314504
Energy: 1.0306039785893755
Energy: 1.042438985621099
Energy: 1.030603978588139
Energy: 1.3543937987570045
Energy: 1.0497076132952843
Energy: 1.0305341430561659
Energy: 1.0497076132952843
Energy: 1.2039684326533384
Energy: 1.0546404385447374
Energy: 1.0362280474436554
Energy: 1.0546404385450554
Energy: 1.2050074159470816
Energy: 1.0333872239044872
Energy: 1.042673915726572
Energy: 1.0333872239044872
Energy: 1.2005581558659586
Energy: 1.0533816805724983
Energy: 1.2663090161268418
Energy: 1.053381680572816
Energy: 1.265073804995039
Energy: 1.0520523693339832
Energy: 1.003162053450528
Energy: 1.0520523693321462
Energy: 1.0373332991276565
Energy: 1.034586094618001
Energy: 1.00321177953106
Energy: 1.034586094618001
Energy: 1.0351559821827216
Energy: 1.051403381852814
Energy: 1.2663973832301942
Energy: 1.0514033818534498
Energy: 1.0386066482576
Energy: 1.0545183291533609
Energy: 1.1997944197447
Energy: 1.054518329151206
Energy: 1.0367633291775065
Energy: 1.031051825541081
Energy: 1.2049137573404718
Energy: 1.0310518255404804
Energy: 1.3556969784324417
Energy: 1.1388303786320078
Energy: 1.2040696016863663
Energy: 1.1388303786316898
Energy: 1.0032059124100285
Energy: 1.0504057476432809
Energy: 1.354532776490937
Energy: 1.0504057476457536

minimum gb energy = 1.0009828597055965 eV
minimum distance =  2.29775051067931 Angstroms
sigma value = 9


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

Energy: 1.712764806728198
Energy: 1.314054992817143
Energy: 1.3128249185801864
Energy: 1.3073297288189483
Energy: 1.4591868491286875
Energy: 1.2621437856903435
Energy: 1.3739509298987258
Energy: 1.2621437856903435
Energy: 1.242373112790601
Energy: 1.2212572094876446
Energy: 1.2639427831591323
Energy: 1.2212572094876446
Energy: 1.2386458572868595
Energy: 1.2207103513057007
Energy: 1.2397315006462346
Energy: 1.2207103513057007
Energy: 1.2147345459156396
Energy: 1.2202344106251146
Energy: 1.241198435068528
Energy: 1.2202344106251146
Energy: 1.3295430724327653
Energy: 1.2631814002182489
Energy: 1.4705925111827023
Energy: 1.2631814002182489
Energy: 1.4041590055777986
Energy: 1.3748052039612504
Energy: 1.59597132958658
Energy: 1.3748052039589493
Energy: 1.4647187442232348
Energy: 1.2812243582089384
Energy: 1.5896019116540658
Energy: 1.2812243555511906
Energy: 1.3921390540566323
Energy: 1.2352610755388758
Energy: 1.3166950302114462
Energy: 1.2352610755377254
Energy: 1.2606577319741588
Energy: 1.2675438868651532
Energy: 1.1669688877980129
Energy: 1.2675438868651532
Energy: 1.3906554988495476
Energy: 1.229990646744152
Energy: 1.1645715720124814
Energy: 1.229990646744152
Energy: 1.3567183493393262
Energy: 1.2750427443252585
Energy: 1.2210632945614381
Energy: 1.2750427443241081
Energy: 1.5961749914039653
Energy: 1.3135025080260194
Energy: 1.3122945959083474
Energy: 1.3135025080260194
Energy: 1.5966744289991341
Energy: 1.311621264795678
Energy: 1.5277279259555223
Energy: 1.311621264797979
Energy: 1.4000175365908205
Energy: 1.2746925396527278
Energy: 1.5102142587591312
Energy: 1.2746925396527278
Energy: 1.2747330357783964
Energy: 1.3064321083822956
Energy: 1.4747718631904665
Energy: 1.3064321083822956
Energy: 1.179775110146635
Energy: 1.1832512249829696
Energy: 1.548012125664257
Energy: 1.1832512249829696
Energy: 1.1988059870330092
Energy: 1.238336697646684
Energy: 1.539589640872198
Energy: 1.238336697646684
Energy: 1.2344778390223456
Energy: 1.2824928530768938
Energy: 1.5485166327611306
Energy: 1.2824928530780442
Energy: 1.2339760993732196
Energy: 1.303984886135441
Energy: 1.5479592372901678
Energy: 1.3039848861342906
Energy: 1.4938927550019436
Energy: 1.2342345659446339
Energy: 1.5121948347104057
Energy: 1.2342345659446339
Energy: 1.6179571204500671
Energy: 1.2338423608666917
Energy: 1.5046947924901393
Energy: 1.2338423608689406
Energy: 1.619649866075323
Energy: 1.2337991575639011
Energy: 1.2337891774037468
Energy: 1.2337991575650515
Energy: 1.5561400780353867
Energy: 1.233487637602495
Energy: 1.2215183367634075
Energy: 1.233487637602495
Energy: 1.5382396982860265
Energy: 1.2664462846040563
Energy: 1.1787544704043191
Energy: 1.266446284605207
Energy: 1.368778298248933
Energy: 1.3054859005308166
Energy: 1.1800702011987725
Energy: 1.3054859005296657
Energy: 1.5506372031104334
Energy: 1.2699161526387848
Energy: 1.4762932841155207
Energy: 1.2699161526387848
Energy: 1.5199274213895642
Energy: 1.3034180162935267
Energy: 1.6076203199206456
Energy: 1.3034180162946771
Energy: 1.314576444264159
Energy: 1.2864412935192626
Energy: 1.6185074281246992
Energy: 1.2864412935192626
Energy: 1.3114067861977676
Energy: 1.2977152602823885
Energy: 1.6111884221341188
Energy: 1.2977152602835391
Energy: 1.2137910857774779
Energy: 1.2265422803726596
Energy: 1.3906407842809292
Energy: 1.2265422803726596
Energy: 1.1656036434232886
Energy: 1.1665413695843374
Energy: 1.3885002037161063
Energy: 1.1665413695843374
Energy: 1.2668078065275248
Energy: 1.2684603075764438
Energy: 1.3906652634861862
Energy: 1.2684603075764438
Energy: 1.4587115066209162
Energy: 1.2629205542028428
Energy: 1.5083383267321442
Energy: 1.2629205542028428
Energy: 1.6160281807064456
Energy: 1.3886645340486976
Energy: 1.4978091593608247
Energy: 1.3886645340486976

minimum gb energy = 1.1645715720124814 eV
minimum distance =  2.2402523760937 Angstroms
sigma value = 73


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

Energy: 1.6992832390036658
Energy: 1.3627167902558486
Energy: 1.3637284566385712
Energy: 1.2990062575120354
Energy: 1.4673363349238577
Energy: 1.3259886635925724
Energy: 1.3885084986877725
Energy: 1.3259886635923859
Energy: 1.2991238221123091
Energy: 1.251613178909709
Energy: 1.3232542558622937
Energy: 1.2516131789117209
Energy: 1.2938651372743981
Energy: 1.2516560280577866
Energy: 1.2932144083312525
Energy: 1.2516560280550482
Energy: 1.2954531848943183
Energy: 1.2510538354329326
Energy: 1.325429234122411
Energy: 1.2510538354331193
Energy: 1.3870587650775361
Energy: 1.3299441247704336
Energy: 1.4816974759534662
Energy: 1.329944124770247
Energy: 1.390232534926195
Energy: 1.3887081558796515
Energy: 1.5981200305701062
Energy: 1.388708155879465
Energy: 1.5624966997469574
Energy: 1.3079194681612698
Energy: 1.6386350420098388
Energy: 1.307919468161436
Energy: 1.5077531706044685
Energy: 1.2630950337967466
Energy: 1.3979492101139561
Energy: 1.2630950337965807
Energy: 1.32340275290703
Energy: 1.3207319790254253
Energy: 1.186270694342453
Energy: 1.320731979025612
Energy: 1.5082787209787782
Energy: 1.271912367238348
Energy: 1.180726402999066
Energy: 1.2719123672387007
Energy: 1.5262095957925836
Energy: 1.297200919515046
Energy: 1.2553120816909746
Energy: 1.2972009195153988
Energy: 1.4716642147034258
Energy: 1.2366894245003597
Energy: 1.2366897745650554
Energy: 1.2366894245001938
Energy: 1.4713598418295653
Energy: 1.3325178004975777
Energy: 1.539646490156264
Energy: 1.3325178004981169
Energy: 1.5720460518121542
Energy: 1.3047955072745994
Energy: 1.6091288701478663
Energy: 1.3047955072751387
Energy: 1.5321745669445663
Energy: 1.3326144393981054
Energy: 1.629830280276032
Energy: 1.3326144393988315
Energy: 1.236690753472508
Energy: 1.2851391076562273
Energy: 1.621830941260336
Energy: 1.285139107656414
Energy: 1.2552569330724346
Energy: 1.2970705820680115
Energy: 1.5932604479289294
Energy: 1.2970705820674515
Energy: 1.6146629756050928
Energy: 1.1841190913737856
Energy: 1.5041769753274148
Energy: 1.1841190913737856
Energy: 1.227818271456903
Energy: 1.3211714895722728
Energy: 1.4877049340142565
Energy: 1.3211714895721067
Energy: 1.3708168989690814
Energy: 1.2702419764006652
Energy: 1.5037936583912075
Energy: 1.2702419764008313
Energy: 1.6158646096582505
Energy: 1.3128625244025578
Energy: 1.5851724489984003
Energy: 1.3128625244025578

minimum gb energy = 1.180726402999066 eV
minimum distance =  2.26326927341523 Angstroms
sigma value = 7


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

Energy: 2.3345827965983776
Energy: 1.3774291127738698
Energy: 1.37733578949854
Energy: 1.2615311570227383
Energy: 1.5294508586948916
Energy: 1.27090096511373
Energy: 1.3772689595887602
Energy: 1.2709009651292194
Energy: 1.42400808886046
Energy: 1.2578348962801638
Energy: 1.386352187352379
Energy: 1.2578348962943329
Energy: 1.3376949912677796
Energy: 1.259957401367399
Energy: 1.286789815283
Energy: 1.2599574013661083
Energy: 1.3390907877093043
Energy: 1.2582495276379928
Energy: 1.3385389425011007
Energy: 1.2582495276405743
Energy: 1.3422214324470616
Energy: 1.2986652729365382
Energy: 1.5604398994736575
Energy: 1.2986652729365382
Energy: 1.3456486352313972
Energy: 1.37793554772935
Energy: 1.5866525349790417
Energy: 1.3779355477280593
Energy: 1.5709036334076871
Energy: 1.2755496025633706
Energy: 1.5815797502741549
Energy: 1.2755496025633706
Energy: 1.543365335981497
Energy: 1.2809379087214252
Energy: 1.4393856749369387
Energy: 1.280937908724007
Energy: 1.3731063194658595
Energy: 1.2817017695106054
Energy: 1.2093339112853962
Energy: 1.2817017695118962
Energy: 1.5980173556109505
Energy: 1.2969613617933407
Energy: 1.2011364699029705
Energy: 1.2969613617933407
Energy: 1.4714021027234556
Energy: 1.283438547660357
Energy: 1.3047921703277496
Energy: 1.2834385476590662
Energy: 1.5909638762703033
Energy: 1.2051185889910723
Energy: 1.2647167283397
Energy: 1.2051185889897815
Energy: 1.5922442250191795
Energy: 1.2846739830233467
Energy: 1.4318928395600896
Energy: 1.2846739830246372
Energy: 1.6118068123839315
Energy: 1.2988606104449776
Energy: 1.4394895574992015
Energy: 1.2988606104449776
Energy: 1.6095970383422584
Energy: 1.278779183595447
Energy: 1.784669113269894
Energy: 1.2787791835941562
Energy: 1.4306259403621195
Energy: 1.2739134919161708
Energy: 1.7861563216127283
Energy: 1.27391349191488
Energy: 1.3840816208575724
Energy: 1.2693034088165158
Energy: 1.4263336962607576
Energy: 1.2693034088165158
Energy: 1.2891273509489576
Energy: 1.2575689190493673
Energy: 1.3393971996761265
Energy: 1.2575689190506583
Energy: 1.3389279716201756
Energy: 1.25776952138463
Energy: 1.2852772024707033
Energy: 1.2577695213885025
Energy: 1.532986918895054
Energy: 1.2974940107052206
Energy: 1.2987882784241807
Energy: 1.2974940107065114
Energy: 1.581308871817573
Energy: 1.3462561042991663
Energy: 1.3449397353748225
Energy: 1.3462561042991663
Energy: 1.5829896123400256
Energy: 1.4304203373319402
Energy: 1.5294517902926381
Energy: 1.4304203373319402
Energy: 1.4398103556993462
Energy: 1.297807738398777
Energy: 1.5817375098145057
Energy: 1.297807738398777
Energy: 1.3846655229041873
Energy: 1.2812221952439151
Energy: 1.3722315388110644
Energy: 1.2812221952142273
Energy: 1.2042393583068578
Energy: 1.2062104157743603
Energy: 1.3625264802730273
Energy: 1.2062104157743603
Energy: 1.3086332401244067
Energy: 1.2987629866535186
Energy: 1.53058859623742
Energy: 1.2987629866535186
Energy: 1.202781485836896
Energy: 1.2061145482661213
Energy: 1.6308296710640346
Energy: 1.2061145482661213
Energy: 1.267536419475873
Energy: 1.2820643308333066
Energy: 1.592065856686813
Energy: 1.2820643308294344
Energy: 1.4379177244432184
Energy: 1.2979154986186534
Energy: 1.62984394810712
Energy: 1.297915498621235
Energy: 1.7924558524284324
Energy: 1.2725126529179434
Energy: 1.6094387388361104
Energy: 1.2725126529166528

minimum gb energy = 1.2011364699029705 eV
minimum distance =  2.26462888248964 Angstroms
sigma value = 29


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

Energy: 1.6209065867122614
Energy: 1.4743479413538036
Energy: 1.394011391510202
Energy: 1.2588598624315541
Energy: 1.3568545883712568
Energy: 1.2245153424311641
Energy: 1.3903648364990937
Energy: 1.2245153424324877
Energy: 1.359626775201772
Energy: 1.2191734287499063
Energy: 1.2824012380956578
Energy: 1.219173428750356
Energy: 1.28774768965764
Energy: 1.217071745672982
Energy: 1.1116447025240002
Energy: 1.2170717456734315
Energy: 1.2908747243654828
Energy: 1.2260152597341132
Energy: 1.2768419483894715
Energy: 1.2260152597350125
Energy: 1.2862890727021163
Energy: 1.218147319261903
Energy: 1.3404447662415693
Energy: 1.2181473192623276
Energy: 1.3961435438937437
Energy: 1.3919793738553103
Energy: 1.2633427723990194
Energy: 1.3919793738553103
Energy: 1.4366398091334454
Energy: 1.2218994938792345
Energy: 1.3408315593343225
Energy: 1.221899493879684
Energy: 1.4099223972417108
Energy: 1.2563664099138208
Energy: 1.4368366586684405
Energy: 1.2563664099129217

minimum gb energy = 1.1116447025240002 eV
minimum distance =  2.25513547461077 Angstroms
sigma value = 5


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

Energy: 1.6914709185020835
Energy: 1.6608575416432059
Energy: 1.735939206194139
Energy: 1.5691216158001904
Energy: 1.2168099776863293
Energy: 1.2503093210817124
Energy: 1.505443434696542
Energy: 1.2503093210817124
Energy: 1.1881464479127863
Energy: 1.1961776162240776
Energy: 1.4915142550149312
Energy: 1.1961776162240776
Energy: 1.1864983951464991
Energy: 1.2498900176187473
Energy: 1.4214005617742376
Energy: 1.2498900176211858
Energy: 1.2307575403559576
Energy: 1.2054395659217751
Energy: 1.4425558994615504
Energy: 1.205439565904705
Energy: 1.2127297426669565
Energy: 1.2292200460797555
Energy: 1.4012943155753521
Energy: 1.2292200460809748
Energy: 1.2043507848185888
Energy: 1.283733803016822
Energy: 1.3619799625645361
Energy: 1.2837338030156025
Energy: 1.2052695007356755
Energy: 1.2293647350121393
Energy: 1.3585330651408567
Energy: 1.2293647350109198
Energy: 1.5298212018679966
Energy: 1.2795864785507047
Energy: 1.4013740894268545
Energy: 1.2795864785446083
Energy: 1.4847704422205374
Energy: 1.4300878225793663
Energy: 1.491526025561599
Energy: 1.4300878225781466
Energy: 1.5294400778377895
Energy: 1.2594857162864685
Energy: 1.5594327928761609
Energy: 1.2594857162742756
Energy: 1.4161784647935938
Energy: 1.230708171638515
Energy: 1.5493660438817418
Energy: 1.2307081716397343
Energy: 1.3455241511256353
Energy: 1.342116698777022
Energy: 1.554888308038729
Energy: 1.3421166987782414
Energy: 1.3967226011825826
Energy: 1.3212600798702825
Energy: 1.2069153340790624
Energy: 1.3212600798690635
Energy: 1.36512794328091
Energy: 1.2870432523439945
Energy: 1.2054286913335421
Energy: 1.2870432523439945
Energy: 1.3609158314147671
Energy: 1.2300000380706495
Energy: 1.2053675731549778
Energy: 1.230000038071869
Energy: 1.443193218379291
Energy: 1.3149336892477974
Energy: 1.254777571721843
Energy: 1.3149336892477974
Energy: 1.4927910440904721
Energy: 1.1998667338012325
Energy: 1.1884065554824594
Energy: 1.1998667338012325
Energy: 1.4971422314267706
Energy: 1.3347176730884187
Energy: 1.1872125673792218
Energy: 1.3347176730884187
Energy: 1.5107603349827554
Energy: 1.1956085458925796
Energy: 1.189848166345997
Energy: 1.1956085458913606
Energy: 1.5180779636873925
Energy: 1.2585554253963307
Energy: 1.6183698854539883
Energy: 1.2585554253963307
Energy: 1.6368764659851385
Energy: 1.4390818154752594
Energy: 1.621573892767719
Energy: 1.4390818154752594
Energy: 1.5859545131722403
Energy: 1.2127252686639662
Energy: 1.2865062679416737
Energy: 1.2127252686627472
Energy: 1.5543833366668676
Energy: 1.2356450361225224
Energy: 1.2882985826839348
Energy: 1.235645036120084
Energy: 1.5537356537806755
Energy: 1.1989054073775542
Energy: 1.2322023726549416
Energy: 1.1989054073787735
Energy: 1.3675258436355449
Energy: 1.2593874785575128
Energy: 1.3097336596741236
Energy: 1.2593874785575128
Energy: 1.2541880072066434
Energy: 1.2548088001196849
Energy: 1.2621704419908346
Energy: 1.2548088001196849
Energy: 1.2601433700026148
Energy: 1.2514859936184377
Energy: 1.2556158792905276
Energy: 1.2514859936184377
Energy: 1.2908750845694952
Energy: 1.2813859072524414
Energy: 1.3308615457428274
Energy: 1.2813859072512221
Energy: 1.4171004731369892
Energy: 1.232899554419631
Energy: 1.4853992061460402
Energy: 1.232899554419631
Energy: 1.2956835188996532
Energy: 1.2356440575415997
Energy: 1.4871554545207848
Energy: 1.2356440575428191
Energy: 1.2153222293932013
Energy: 1.2090310371366457
Energy: 1.5818626830984657
Energy: 1.2090310371342072
Energy: 1.6867354202412477
Energy: 1.4394645639200683
Energy: 1.577511285143139
Energy: 1.439464563918849

minimum gb energy = 1.1864983951464991 eV
minimum distance =  2.22608401402878 Angstroms
sigma value = 1


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

Energy: 1.9290679363947105
Energy: 1.5766560764028248
Energy: 1.4180460603467762
Energy: 1.3145928211498479
Energy: 1.1705509246476
Energy: 1.2983191491702653
Energy: 1.2777018945781036
Energy: 1.2983191491668935
Energy: 1.1726759500103958
Energy: 1.1749272378540627
Energy: 1.3772901404423628
Energy: 1.1749272378540627
Energy: 1.176218139334646
Energy: 1.1750786671396762
Energy: 1.181581055608702
Energy: 1.1750786671396762
Energy: 1.1778271815660601
Energy: 1.1988066334561225
Energy: 1.328625114148099
Energy: 1.1988066334561225
Energy: 1.1766142204897938
Energy: 1.1999844980895467
Energy: 1.3304472012216824
Energy: 1.1999844980895467
Energy: 1.1663149950841727
Energy: 1.2602289591420643
Energy: 1.37585221069447
Energy: 1.2602289591420643
Energy: 1.1729524463661107
Energy: 1.17355065072377
Energy: 1.373331911332165
Energy: 1.17355065072377
Energy: 1.1704336494569685
Energy: 1.2989303509239096
Energy: 1.3387748720749233
Energy: 1.2989303509239096
Energy: 1.3628294363542204
Energy: 1.6229440192132618
Energy: 1.5346500141924677
Energy: 1.6229440192132618
Energy: 1.1711259425352218
Energy: 1.1749905532435607
Energy: 1.3847950050613373
Energy: 1.1749905532435607
Energy: 1.1675078249581454
Energy: 1.1732893124605606
Energy: 1.5470890089645055
Energy: 1.1732893124639323
Energy: 1.1619049157732164
Energy: 1.1739794661135878
Energy: 1.5500331656026811
Energy: 1.173979466111902
Energy: 1.279937822605233
Energy: 1.251084622410035
Energy: 1.300895155971789
Energy: 1.251084622410035
Energy: 1.181636420825318
Energy: 1.186628747850923
Energy: 1.1721370415132877
Energy: 1.1866287478475515
Energy: 1.1806275889910907
Energy: 1.1725860560477073
Energy: 1.1611439971547453
Energy: 1.1725860560477073
Energy: 1.3320083180656912
Energy: 1.1899521249451237
Energy: 1.1799213966684237
Energy: 1.1899521249451237
Energy: 1.3726808151873762
Energy: 1.170111466994225
Energy: 1.1614337500576777
Energy: 1.1701114669925388
Energy: 1.3763168382953532
Energy: 1.2606414505317303
Energy: 1.1706715595853505
Energy: 1.2606414505317303
Energy: 1.3646152926042854
Energy: 1.173274895258135
Energy: 1.166612474472036
Energy: 1.173274895258135
Energy: 1.3408319433791809
Energy: 1.174783487465638
Energy: 1.3617242078335534
Energy: 1.174783487465638
Energy: 1.3802498634893992
Energy: 1.1741401381873195
Energy: 1.3618481445755382
Energy: 1.1741401381873195
Energy: 1.3924638233132172
Energy: 1.2508780525646326
Energy: 1.16992820691747
Energy: 1.2508780525646326
Energy: 1.5518056705966072
Energy: 1.1914017346266663
Energy: 1.1724096499681216
Energy: 1.1914017346266663

minimum gb energy = 1.1611439971547453 eV
minimum distance =  2.26043245802943 Angstroms
sigma value = 17


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

Energy: 1.7830448285967113
Energy: 1.6820886393190633
Energy: 1.726597431191932
Energy: 1.5508545090198886
Energy: 1.1598508965043457
Energy: 1.202403321033942
Energy: 1.4528505238538003
Energy: 1.202403321033942
Energy: 1.16611768605962
Energy: 1.1613086693481773
Energy: 1.4647417053145928
Energy: 1.1613086693481773
Energy: 1.158541961017188
Energy: 1.1622297816461031
Energy: 1.4711908061361045
Energy: 1.1622297816450613
Energy: 1.1637004839147067
Energy: 1.232755802930155
Energy: 1.313354340600482
Energy: 1.2327558029311974
Energy: 1.221085667463039
Energy: 1.2046886035686362
Energy: 1.2506915632062798
Energy: 1.2046886035686362
Energy: 1.2298848190637046
Energy: 1.2058811875519917
Energy: 1.2215056563622766
Energy: 1.2058811875509499
Energy: 1.2869329555159066
Energy: 1.2079055118410544
Energy: 1.2184989841857927
Energy: 1.2079055118410544
Energy: 1.4518819553178974
Energy: 1.1624067269245786
Energy: 1.1560492923973085
Energy: 1.1624067269245786
Energy: 1.4056288705272149
Energy: 1.1653975187612302
Energy: 1.1664764746962795
Energy: 1.1653975187747763
Energy: 1.500974285466072
Energy: 1.1625258614630856
Energy: 1.1591727051786749
Energy: 1.16252586146408
Energy: 1.468734790785862
Energy: 1.1998022189078605
Energy: 1.504143586988659
Energy: 1.1998022189078605
Energy: 1.6700210131095412
Energy: 1.1975298261444427
Energy: 1.5152260055720306
Energy: 1.1975298261454848
Energy: 1.366729961333392
Energy: 1.2783328727893613
Energy: 1.1627020584534524
Energy: 1.2783328727893613
Energy: 1.4572909663890996
Energy: 1.1641140280277698
Energy: 1.2964796579633386
Energy: 1.1641140280256856
Energy: 1.6023156283843432
Energy: 1.1615876892079529
Energy: 1.250885313099441
Energy: 1.1615876892079529
Energy: 1.1984180031614284
Energy: 1.19771995968153
Energy: 1.337837496247605
Energy: 1.19771995968153
Energy: 1.1992984606927823
Energy: 1.2277765137649979
Energy: 1.3058988842236667
Energy: 1.2277765137649979
Energy: 1.1954965159984847
Energy: 1.19864035942024
Energy: 1.295213820906639
Energy: 1.19864035942024
Energy: 1.2342668129653114
Energy: 1.2789521772115404
Energy: 1.4242265441896307
Energy: 1.2789521772125825
Energy: 1.173132668206716
Energy: 1.1797332686959128
Energy: 1.4072085568108295
Energy: 1.1797332686959128
Energy: 1.1759031113333602
Energy: 1.180948984360145
Energy: 1.404384507820497
Energy: 1.1809489843611871
Energy: 1.1773584292428316
Energy: 1.3101831406561653
Energy: 1.3097422914715255
Energy: 1.3101831406561653
Energy: 1.5157592895292604
Energy: 1.2641290121352764
Energy: 1.385087108270109
Energy: 1.2641290121342346
Energy: 1.5094195790697174
Energy: 1.1809353494523875
Energy: 1.316716222891428
Energy: 1.1809353494513453
Energy: 1.3121140911653084
Energy: 1.1872917638437301
Energy: 1.3793400073458568
Energy: 1.1872917638437301
Energy: 1.4878936944727517
Energy: 1.4671464476137313
Energy: 1.5824417347136215
Energy: 1.4671464476126894
Energy: 1.3275271255115206
Energy: 1.180855134766889
Energy: 1.4270389040116804
Energy: 1.1808551347658471
Energy: 1.4052792007336512
Energy: 1.1810461494872044
Energy: 1.179272433624488
Energy: 1.1810461494872044
Energy: 1.3610218415386355
Energy: 1.18237035457573
Energy: 1.1761566844439588
Energy: 1.1823703545778141
Energy: 1.3999574918855133
Energy: 1.1827785890264504
Energy: 1.1772519744588035
Energy: 1.1827785890254083
Energy: 1.3389997306547656
Energy: 1.2029035344539372
Energy: 1.1876507599736024
Energy: 1.2029035344528953
Energy: 1.3018030316274447
Energy: 1.2019009559755207
Energy: 1.1948873280482464
Energy: 1.2019009559755207
Energy: 1.2938433710320671
Energy: 1.1971835276054092
Energy: 1.1918927377331408
Energy: 1.197183527606451
Energy: 1.249720089620465
Energy: 1.162680696458901
Energy: 1.2800731064696418
Energy: 1.162680696463069
Energy: 1.2685496676164112
Energy: 1.2693894969883606
Energy: 1.5217943549675168
Energy: 1.2693894969894024
Energy: 1.2997036218613274
Energy: 1.1616557732193877
Energy: 1.4531029820859391
Energy: 1.1616557732193877
Energy: 1.4279965765366884
Energy: 1.2010419579767029
Energy: 1.4925741298111834
Energy: 1.2010419579756608

minimum gb energy = 1.1560492923973085 eV
minimum distance =  2.23647806855992 Angstroms
sigma value = 89


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

Energy: 2.0781773217328947
Energy: 1.3667962075090483
Energy: 1.3690190856111388
Energy: 1.2396582153553484
Energy: 1.1275848797545178
Energy: 1.1327946720794029
Energy: 1.1257956183205382
Energy: 1.1327946720494433
Energy: 1.1281700549018936
Energy: 1.1314490635421914
Energy: 1.2314493698553028
Energy: 1.1314490635421914
Energy: 1.1245465977392348
Energy: 1.1316671790003376
Energy: 1.2318104746058562
Energy: 1.1316671790008952
Energy: 1.123751614090742
Energy: 1.154982730120079
Energy: 1.2493099160616044
Energy: 1.1549827301198001
Energy: 1.1827509711260311
Energy: 1.139462143346676
Energy: 1.240933345056105
Energy: 1.139462143346676
Energy: 1.1875139706614666
Energy: 1.1382022529201608
Energy: 1.1839234526887878
Energy: 1.1382022529204396
Energy: 1.248896460675955
Energy: 1.146334481337476
Energy: 1.1828479892032415
Energy: 1.146334481337476
Energy: 1.2986906724759002
Energy: 1.1320649283432187
Energy: 1.1209683159966284
Energy: 1.1320649283432187
Energy: 1.3021591800626426
Energy: 1.131753369677369
Energy: 1.1228043533030292
Energy: 1.1317533696814586
Energy: 1.3011883041848344
Energy: 1.1329714421569737
Energy: 1.1284807619424613
Energy: 1.1329714421572525
Energy: 1.3907956966422554
Energy: 1.130649994237151
Energy: 1.3899098378732933
Energy: 1.130649994237151
Energy: 1.4129604677785113
Energy: 1.1312273871024174
Energy: 1.389152839246296
Energy: 1.1312273871010543
Energy: 1.1276964101263056
Energy: 1.225069716130205
Energy: 1.1280333943847594
Energy: 1.2250697161351003
Energy: 1.1315389300139729
Energy: 1.1316089286822357
Energy: 1.12737028112617
Energy: 1.1316089286825146

minimum gb energy = 1.1209683159966284 eV
minimum distance =  2.25502557124238 Angstroms
sigma value = 13


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

Energy: 1.300447642145667
Energy: 1.397522820757647
Energy: 1.3653854727674237
Energy: 1.190761218586401
Energy: 1.096716277573152
Energy: 1.10205621376892
Energy: 1.097817155759983
Energy: 1.1020562137666345
Energy: 1.097677030201758
Energy: 1.099213474616008
Energy: 1.2713578370810563
Energy: 1.099213474616008
Energy: 1.0935239912002062
Energy: 1.098697262060931
Energy: 1.267517983797475
Energy: 1.0986972620620736
Energy: 1.1011280789436761
Energy: 1.194010075850907
Energy: 1.1746947610898595
Energy: 1.1940100758520498
Energy: 1.20503050697304
Energy: 1.083164201361228
Energy: 1.1275669430751358
Energy: 1.0831642013623706
Energy: 1.2027985066770424
Energy: 1.0821103754269283
Energy: 1.1147570393386075
Energy: 1.0821103754257855
Energy: 1.244848621714038
Energy: 1.0842424916818
Energy: 1.1199166746606664
Energy: 1.084242491678372
Energy: 1.2007486201775084
Energy: 1.0852791346290143
Energy: 1.1187550334151493
Energy: 1.0852791346290143
Energy: 1.203240112508563
Energy: 1.0846444146941019
Energy: 1.1122210029203834
Energy: 1.0846444146941019
Energy: 1.1898126399730375
Energy: 1.089320651631287
Energy: 1.1787968454007447
Energy: 1.089320651631287
Energy: 1.0990166612901768
Energy: 1.0996067946491417
Energy: 1.203401692402216
Energy: 1.0996067946479988
Energy: 1.0968505498584726
Energy: 1.0982365591110061
Energy: 1.2014467697812314
Energy: 1.0982365591110061
Energy: 1.0973243537572517
Energy: 1.2474438947869688
Energy: 1.2040777821822164
Energy: 1.2474438948338211
Energy: 1.3999607660055335
Energy: 1.100620781619899
Energy: 1.0964682205557967
Energy: 1.1006207816267555
Energy: 1.4005591634890204
Energy: 1.098543782231874
Energy: 1.0964748430468259
Energy: 1.0985437822353021
Energy: 1.0973994119527166
Energy: 1.1033410040704434
Energy: 1.0977791836679387
Energy: 1.1033410040693008
Energy: 1.1003565056368447
Energy: 1.0992314170243027
Energy: 1.266515739860986
Energy: 1.0992314170243027
Energy: 1.0972909777685533
Energy: 1.0998580786649255
Energy: 1.090465531783003
Energy: 1.0998580786660683
Energy: 1.2010450672071684
Energy: 1.1019828470471789
Energy: 1.1013215538931174
Energy: 1.1019828470460362
Energy: 1.2681743625502908
Energy: 1.1475024439237218
Energy: 1.09558698621696
Energy: 1.1475024439237218
Energy: 1.1750780158669205
Energy: 1.1944572934771247
Energy: 1.1020430924221611
Energy: 1.1944572934771247
Energy: 1.1765447268008542
Energy: 1.083965939232677
Energy: 1.2010444340620263
Energy: 1.083965939232677
Energy: 1.1172516800939283
Energy: 1.0840471299174548
Energy: 1.1312265785989113
Energy: 1.0840471299174548
Energy: 1.117437677172209
Energy: 1.0934808899169806
Energy: 1.1949225336974256
Energy: 1.0934808899169806
Energy: 1.1164486424523095
Energy: 1.0889567854383777
Energy: 1.2541235308655956
Energy: 1.0889567854383777
Energy: 1.1138045379981802
Energy: 1.0857269604699997
Energy: 1.2038456794593586
Energy: 1.0857269604711426
Energy: 1.1769188251219929
Energy: 1.0865469585781335
Energy: 1.1997913347313856
Energy: 1.086546958576991
Energy: 1.1765781632159167
Energy: 1.1004950957080235
Energy: 1.099982945628148
Energy: 1.1004950957045954
Energy: 1.1996133809075369
Energy: 1.099233453730874
Energy: 1.0997002748831117
Energy: 1.0992334537331596
Energy: 1.2000262958417582
Energy: 1.1037139888371927
Energy: 1.097312782615144
Energy: 1.103713988840621
Energy: 1.0995978853837227
Energy: 1.0987193105902295
Energy: 1.1997925262704914
Energy: 1.0987193105902295
Energy: 1.0968814430462686
Energy: 1.1066615417360994
Energy: 1.3994183808099503
Energy: 1.106661541738385
Energy: 1.0956146554583255
Energy: 1.107335727830461
Energy: 1.0966944216905052
Energy: 1.1073357278201765
Energy: 1.0906242687572665
Energy: 1.0987265831519868
Energy: 1.0978519147510797
Energy: 1.0987265831519868

minimum gb energy = 1.0821103754257855 eV
minimum distance =  2.2616535924653 Angstroms
sigma value = 37


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

Energy: 1.3186291210803573
Energy: 1.334603794391596
Energy: 1.2984567816299777
Energy: 1.1305906795461436
Energy: 1.054646873266828
Energy: 1.0592317898965902
Energy: 1.0557345859671954
Energy: 1.0592317898964114
Energy: 1.0552990939325342
Energy: 1.0609045076085777
Energy: 1.266787020243715
Energy: 1.060904507608399
Energy: 1.0529184621016408
Energy: 1.0602871333311923
Energy: 1.2669720112683756
Energy: 1.0602871333313932
Energy: 1.1725827522616223
Energy: 1.1144838947687545
Energy: 1.1121583613304344
Energy: 1.1144838947673918
Energy: 1.2009409919032392
Energy: 1.0278378112459345
Energy: 1.0601247926669217
Energy: 1.0278378112457336
Energy: 1.127193509169769
Energy: 1.0274129035103328
Energy: 1.0569805750364283
Energy: 1.0274129035101316
Energy: 1.174985055965009
Energy: 1.0136336270580744
Energy: 1.065496359996141
Energy: 1.0136336270610233
Energy: 1.101520470336162
Energy: 1.0070426354683835
Energy: 1.0999356889032876
Energy: 1.0070426354683835
Energy: 1.1001415322840764
Energy: 1.0062549396642935
Energy: 1.101791324429576
Energy: 1.0062549396639138
Energy: 1.1543239733181982
Energy: 1.1012916875108718
Energy: 1.1752021606818257
Energy: 1.1012916875112515
Energy: 1.0573511469357344
Energy: 1.0272952801370632
Energy: 1.2019135457622359
Energy: 1.0272952801372641
Energy: 1.059539176366279
Energy: 1.0274781625132678
Energy: 1.2015793212358223
Energy: 1.0274781625134688
Energy: 1.1126418081482858
Energy: 1.0486704801800597
Energy: 1.1719783192438675
Energy: 1.0486704801786746
Energy: 1.1946149989314787
Energy: 1.059795304888313
Energy: 1.0541574120399855
Energy: 1.0597953048879334
Energy: 1.186572045516007
Energy: 1.0603099167340575
Energy: 1.0550707612632475
Energy: 1.0603099167340575
Energy: 1.1849022911564213
Energy: 1.113056622015642
Energy: 1.054946362004358
Energy: 1.1130566220158205
Energy: 1.0556908330619945
Energy: 1.0551251267370505
Energy: 1.1792249062691451
Energy: 1.0551251267370505
Energy: 1.0552708899703778
Energy: 1.060757053906548
Energy: 1.1795755835144222
Energy: 1.060757053906928
Energy: 1.054917151072295
Energy: 1.0592785394616786
Energy: 1.055237199077816
Energy: 1.0592785394614777

minimum gb energy = 1.0062549396639138 eV
minimum distance =  2.26060623890919 Angstroms
sigma value = 25


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

Energy: 1.304715183744748
Energy: 1.2001965434709045
Energy: 1.1774201266165991
Energy: 1.0406578956757773
Energy: 0.9836445039857992
Energy: 0.9817081719064301
Energy: 1.0214974476592689
Energy: 0.9817081719064301
Energy: 0.9839471090004687
Energy: 0.9897019890580141
Energy: 1.0602036084712387
Energy: 0.9897019890580141
Energy: 0.9835266881310587
Energy: 0.9885180609061606
Energy: 1.1243271257882563
Energy: 0.9885180609061606
Energy: 1.0192129342723775
Energy: 0.9808205035064368
Energy: 1.0220196635806473
Energy: 0.9808205035171834
Energy: 1.1259683143168924
Energy: 0.951921380229131
Energy: 0.973769881195176
Energy: 0.951921380229131
Energy: 1.1260664993572833
Energy: 0.9523425167607651
Energy: 0.9727397797404878
Energy: 0.9523425167607651
Energy: 1.0573634850658384
Energy: 1.0615961080290948
Energy: 1.0715329200178179
Energy: 1.0615961080290948
Energy: 0.9905736026052611
Energy: 0.9177884740971501
Energy: 1.0910610685541204
Energy: 0.9177884740971501
Energy: 0.9909512844908244
Energy: 0.9172978548842232
Energy: 1.0908027829989533
Energy: 0.9172978548842232
Energy: 1.0262159129145996
Energy: 1.0430604923698803
Energy: 1.0640863645157703
Energy: 1.0430604924251135
Energy: 1.0298272363489087
Energy: 0.9068200641496832
Energy: 1.032387982804764
Energy: 0.9068200641512185
Energy: 1.0309026406719992
Energy: 0.9092225858088898
Energy: 1.0294697973200557
Energy: 0.9092225858088898
Energy: 1.0642632860948045
Energy: 0.9604204168736499
Energy: 1.0094752375993927
Energy: 0.960420416867509
Energy: 1.0915147882752254
Energy: 0.9187405281017684
Energy: 0.9872557679274884
Energy: 0.9187405281017684
Energy: 1.0910940932708706
Energy: 0.9167792073407988
Energy: 0.9900463143946697
Energy: 0.9167792073407988
Energy: 0.9891942845682353
Energy: 0.9571007656464726
Energy: 1.0576903959958945
Energy: 0.957100765648008
Energy: 0.9714570820187057
Energy: 0.9518809976276247
Energy: 1.0883007631751607
Energy: 0.9518809976276247
Energy: 0.9738233159414689
Energy: 0.9525966231831109
Energy: 1.1806305650047364
Energy: 0.9525966231831109
Energy: 1.0216094942041836
Energy: 0.9863486187190876
Energy: 1.1007136600376923
Energy: 0.9863486187190876
Energy: 1.178353496738886
Energy: 1.0115658939261198
Energy: 0.9837896602701677
Energy: 1.0115658939261198
Energy: 1.0216965240682527
Energy: 0.9895901717105529
Energy: 0.9837496436397666
Energy: 0.9895901717105529
Energy: 1.021483779419379
Energy: 0.9892799409432039
Energy: 1.0181206694081835
Energy: 0.9892799409447391
Energy: 0.9868612392680319
Energy: 0.9895691398282995
Energy: 1.186636401238177
Energy: 0.9895691398282995
Energy: 0.9841902630253521
Energy: 0.9866215033112908
Energy: 0.9842977376072771
Energy: 0.9866215033112908
Energy: 1.2254477263972923
Energy: 0.9885555446667066
Energy: 0.9839329857324496
Energy: 0.9885555446651715

minimum gb energy = 0.9068200641496832 eV
minimum distance =  2.27146243763071 Angstroms
sigma value = 41


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

Energy: 1.2488942094380948
Energy: 1.0947287518963675
Energy: 1.0755145741439815
Energy: 0.9670717949665383
Energy: 0.9240042880659017
Energy: 0.9128712902051707
Energy: 0.9042716811298879
Energy: 0.9128712902064292
Energy: 0.9191256555281884
Energy: 0.922840222327145
Energy: 0.9448646440616106
Energy: 0.922840222327145
Energy: 0.919164316072679
Energy: 0.9224843489728844
Energy: 0.9525279149103232
Energy: 0.9224843489728844
Energy: 0.9514078292483715
Energy: 0.9125685347788287
Energy: 0.9490024827725343
Energy: 0.9125685347159258
Energy: 0.9058650984923274
Energy: 0.891020034841901
Energy: 0.9038505627779773
Energy: 0.891020034841901
Energy: 0.9090166221334887
Energy: 0.8908145272556476
Energy: 0.904200304203601
Energy: 0.8908145272543889
Energy: 0.9760039460137033
Energy: 0.9302333597501803
Energy: 0.9315290047592061
Energy: 0.9302333597501803
Energy: 0.9098264686637829
Energy: 0.8552340746123763
Energy: 1.0423228257183632
Energy: 0.8552340746123763
Energy: 0.9061157153257118
Energy: 0.8553579991700537
Energy: 1.0436554470144606
Energy: 0.8553579991700537
Energy: 0.9441702790617733
Energy: 0.9955025131623498
Energy: 0.983021286416103
Energy: 0.9955025131334299
Energy: 1.0163608846520553
Energy: 0.836776306495542
Energy: 0.9286854321405211
Energy: 0.836776306495542
Energy: 0.995084223636442
Energy: 0.8395882239121908
Energy: 0.9353002585766029
Energy: 0.8395882239121908
Energy: 0.9849880541643885
Energy: 0.8300350335660148
Energy: 0.9655969646978948
Energy: 0.8300350335660148
Energy: 0.9686632838880156
Energy: 0.8304417299705836
Energy: 0.9662201209608764
Energy: 0.8304417299705836
Energy: 0.9707534455921705
Energy: 0.8359450874270262
Energy: 0.9683961835632546
Energy: 0.8359450874270262
Energy: 0.9444423788643962
Energy: 0.8387687630039495
Energy: 0.9846315185309321
Energy: 0.8387687630039495
Energy: 0.9334350636222842
Energy: 0.8372043725752343
Energy: 1.0165569860482715
Energy: 0.8372043725752343
Energy: 0.9508376792607047
Energy: 0.8379197303926577
Energy: 1.0184639485817881
Energy: 0.8379197303926577
Energy: 0.9789569024228771
Energy: 0.8558848872219981
Energy: 0.93470396431376
Energy: 0.8558848872219981
Energy: 0.9313475203077075
Energy: 0.8557604707280442
Energy: 0.907154555158577
Energy: 0.8557604707280442
Energy: 0.9287580902946397
Energy: 0.8582168691175383
Energy: 0.9382313261635276
Energy: 0.8582168691175383
Energy: 0.9147839259152433
Energy: 0.890563260603367
Energy: 0.9763390112293857
Energy: 0.890563260603367
Energy: 0.9062380979403023
Energy: 0.8907171031924032
Energy: 1.0163126837560894
Energy: 0.8907171031924032
Energy: 0.9484113839472952
Energy: 0.8929609155025815
Energy: 0.9085953748094452
Energy: 0.8929609155025815
Energy: 0.9044603313474644
Energy: 0.9229137132216328
Energy: 0.9210945163053244
Energy: 0.9229137132228916
Energy: 0.904412215646257
Energy: 0.9235914859157017
Energy: 0.9256552368045113
Energy: 0.9235914859157017
Energy: 0.9485736011050042
Energy: 1.0134350947165127
Energy: 0.9210286292809885
Energy: 1.0134350947794155
Energy: 0.9230055446978936
Energy: 0.9228651414014858
Energy: 0.9253612179342601
Energy: 0.9228651414027443
Energy: 0.9185607356154102
Energy: 0.9238245113298355
Energy: 0.9255680142527581
Energy: 0.9238245113298355
Energy: 0.9215393546331654
Energy: 0.9151254718096479
Energy: 0.9220396573412404
Energy: 0.9151254718096479
Energy: 0.8967724511921612
Energy: 0.9225884471723206
Energy: 0.9229953063147626
Energy: 0.9225884471723206

minimum gb energy = 0.8300350335660148 eV
minimum distance =  2.26441656003466 Angstroms
sigma value = 15


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

Energy: 1.0341454848134715
Energy: 0.9950659116055253
Energy: 1.0347387993171584
Energy: 0.9471163993456431
Energy: 0.8618656592338229
Energy: 0.8561981489777648
Energy: 0.8491885461306413
Energy: 0.8561981489777648
Energy: 0.8629723814788826
Energy: 0.8670113181530678
Energy: 0.8432144459708721
Energy: 0.8670113181893198
Energy: 0.868893318970123
Energy: 0.8665025481667739
Energy: 0.8909840837900238
Energy: 0.8665025481678402
Energy: 0.8736111261232145
Energy: 0.8577754771159247
Energy: 0.8503353286221541
Energy: 0.857775477116991
Energy: 0.8917670892902606
Energy: 0.8374300506832725
Energy: 0.847653369142362
Energy: 0.8374300506832725
Energy: 0.8787764291404584
Energy: 0.8378438553422747
Energy: 0.851945417361841
Energy: 0.8378438553422747
Energy: 0.8746192375881042
Energy: 0.896837687834407
Energy: 0.8700275500631155
Energy: 0.8968376878365394
Energy: 0.8505026311336807
Energy: 0.8059187629124904
Energy: 0.8711083442079592
Energy: 0.8059187629135568
Energy: 0.8548184949199258
Energy: 0.8053465370813259
Energy: 0.9650994037958758
Energy: 0.8053465370813259
Energy: 0.8780773355874325
Energy: 0.8777739164756752
Energy: 0.902931993240507
Energy: 0.8777739164756752
Energy: 0.9775815635895325
Energy: 0.7849806526869133
Energy: 0.8574339982673173
Energy: 0.7849806526869133
Energy: 0.9496549385945878
Energy: 0.7872743258694844
Energy: 0.8647825238857816
Energy: 0.7872743258694844
Energy: 0.9169757196426976
Energy: 0.7735841189110203
Energy: 0.8889372030505419
Energy: 0.7735841189110203
Energy: 0.8833039768527804
Energy: 0.7744678725669379
Energy: 0.9547575252649593
Energy: 0.7744678725669379
Energy: 0.8867438606221721
Energy: 0.7769239836375331
Energy: 0.9151942666492595
Energy: 0.7769239836375331
Energy: 0.9193373107323884
Energy: 0.7792672878963401
Energy: 0.9155826049290702
Energy: 0.7792672878963401
Energy: 0.9128500570232043
Energy: 0.7697057147378417
Energy: 0.9202254332857255
Energy: 0.769705714738908
Energy: 0.9160766186672893
Energy: 0.7776572978709065
Energy: 0.9188905225791418
Energy: 0.7776572978709065
Energy: 0.9159930976062317
Energy: 0.77835904373839
Energy: 0.8917676456628363
Energy: 0.77835904373839
Energy: 0.9565936843345401
Energy: 0.7740160583451438
Energy: 0.884332103939589
Energy: 0.7740160583462099
Energy: 0.9557997058012845
Energy: 0.7741642688648938
Energy: 0.9158092545494795
Energy: 0.7741642688638276
Energy: 0.8736085772046629
Energy: 0.7856507628450288
Energy: 0.9098451193626126
Energy: 0.785650762846095
Energy: 0.8574921919929773
Energy: 0.7847153674177044
Energy: 0.9407616197257043
Energy: 0.784715367416638
Energy: 0.902994710472841
Energy: 0.9157130626657399
Energy: 0.8785807076144241
Energy: 0.915713062670005
Energy: 0.9034642635897854
Energy: 0.8061395275941949
Energy: 0.8514285680680097
Energy: 0.8061395275931288
Energy: 0.9413222782294419
Energy: 0.8056788604345841
Energy: 0.8497907169672372
Energy: 0.8056788604345841
Energy: 0.8738956254088167
Energy: 0.8957597500998044
Energy: 0.8770510253674849
Energy: 0.895759750125394
Energy: 0.8476964895829653
Energy: 0.8374476350448227
Energy: 0.8835314617466496
Energy: 0.8374476350448227
Energy: 0.8480212580568994
Energy: 0.8374787563804464
Energy: 0.8824299014272889
Energy: 0.8374787563804464
Energy: 0.8480079903756551
Energy: 0.8790206183963457
Energy: 0.8939971581407484
Energy: 0.8790206183942133
Energy: 0.8897466091531285
Energy: 0.865877081610829
Energy: 0.8614388111196715
Energy: 0.8658770816097627
Energy: 0.8675108724779085
Energy: 0.8663644150928532
Energy: 0.8740691699025978
Energy: 0.8663644150917867
Energy: 0.848662971507154
Energy: 0.8556965548362534
Energy: 0.868837167180328
Energy: 0.8556965548373195
Energy: 0.9948440002591998
Energy: 0.8679638617344659
Energy: 0.8660479811042474
Energy: 0.8679638617355323
Energy: 0.8627402755838125
Energy: 0.8691007413757248
Energy: 0.8485915421194908
Energy: 0.8691007413757248
Energy: 0.8404788201584303
Energy: 0.8678731030783363
Energy: 0.8626079814469656
Energy: 0.8678731030783363

minimum gb energy = 0.7697057147378417 eV
minimum distance =  2.26449644234294 Angstroms
sigma value = 85


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

Energy: 1.106892011437228
Energy: 0.8949719558940312
Energy: 0.881941082337951
Energy: 0.7828267977130381
Energy: 0.7620511076737565
Energy: 0.7600145442220541
Energy: 0.7903202609387071
Energy: 0.7600145442211292
Energy: 0.7618195891740737
Energy: 0.7636786974703009
Energy: 0.7941194195362908
Energy: 0.7636786974703009
Energy: 0.7622998450876167
Energy: 0.7634415720404684
Energy: 0.7708788962551314
Energy: 0.7634415720413931
Energy: 0.7898408995742408
Energy: 0.7890993143565841
Energy: 0.7905171689297209
Energy: 0.7890993143602831
Energy: 0.7487129776139729
Energy: 0.7454341016333393
Energy: 0.7579835719608282
Energy: 0.7454341016333393
Energy: 0.7476365244436988
Energy: 0.7457221643226682
Energy: 0.7581403830116509
Energy: 0.7457221643226682
Energy: 0.8182769523920066
Energy: 0.7912036844775321
Energy: 0.7588721040799883
Energy: 0.7912036844479402
Energy: 0.7642058453695048
Energy: 0.7252368113807534
Energy: 0.7570696185179284
Energy: 0.7252368113816782
Energy: 0.7641239482786921
Energy: 0.7248358424114575
Energy: 0.753408241208398
Energy: 0.7248358424114575
Energy: 0.7854457594588964
Energy: 0.8217754742116617
Energy: 0.8183391513832956
Energy: 0.8217754741580682
Energy: 0.9406488676629737
Energy: 0.7134662957696498
Energy: 0.780686259555482
Energy: 0.7134662957696498
Energy: 0.8310567117360005
Energy: 0.7148127819536163
Energy: 0.7956628895983568
Energy: 0.7148127819536163
Energy: 0.8301013388639404
Energy: 0.708689484745565
Energy: 0.8072855796621287
Energy: 0.708689484745565
Energy: 0.805118971566836
Energy: 0.7081181307346431
Energy: 0.9064728542143465
Energy: 0.7081181307346431
Energy: 0.8176456975092019
Energy: 0.709372007718855
Energy: 0.8415750062823197
Energy: 0.709372007718855
Energy: 0.8907136650586782
Energy: 0.7072628649018946
Energy: 0.8421015607376239
Energy: 0.7072628649018946
Energy: 0.8911928670218933
Energy: 0.7056688968129254
Energy: 0.8307173888491097
Energy: 0.7056688968129254
Energy: 0.8469210967982049
Energy: 0.7060190098266341
Energy: 0.8400613647958425
Energy: 0.7060190098266341
Energy: 0.8467625948454477
Energy: 0.7062547769204556
Energy: 0.8655763800668976
Energy: 0.7062547769204556
Energy: 0.859386312466626
Energy: 0.7076086483623185
Energy: 0.8600499612320713
Energy: 0.7076086483623185
Energy: 0.8315502265222345
Energy: 0.7050552606864001
Energy: 0.8470834640172544
Energy: 0.7050552606864001
Energy: 0.8357290782191013
Energy: 0.7058883366355375
Energy: 0.8529970174878162
Energy: 0.7058883366355375
Energy: 0.8318732132864267
Energy: 0.7061513775782042
Energy: 0.8910595994284863
Energy: 0.7061513775772794
Energy: 0.8422483842491871
Energy: 0.8721119883371018
Energy: 0.8224893347361611
Energy: 0.8721119883288001
Energy: 0.9114828944969572
Energy: 0.7085139844091889
Energy: 0.806264056997892
Energy: 0.7085139844091889
Energy: 0.8676764652736558
Energy: 0.708509251057641
Energy: 0.8036478503702733
Energy: 0.708509251057641
Energy: 0.8059379899768075
Energy: 0.8055128791129077
Energy: 0.8302343029664645
Energy: 0.8055128791129077
Energy: 0.7836819698458237
Energy: 0.7133802314791704
Energy: 0.7714914944716924
Energy: 0.7133802314800953
Energy: 0.7803522597629823
Energy: 0.7144022015371859
Energy: 0.7667981480282201
Energy: 0.7144022015371859
Energy: 0.8188715986019874
Energy: 0.7668418031573702
Energy: 0.7670525822207175
Energy: 0.7668418031564455
Energy: 0.8449729863947163
Energy: 0.7243746159410149
Energy: 0.7692081556221315
Energy: 0.7243746159410149
Energy: 0.7625257535301314
Energy: 0.7259379935699466
Energy: 0.7644097792355209
Energy: 0.7259379935699466
Energy: 0.7585267467480201
Energy: 0.7587944839022881
Energy: 0.818192084824287
Energy: 0.7587944839022881
Energy: 0.7640531677042
Energy: 0.7447426563693256
Energy: 0.8700655141179375
Energy: 0.7447426563693256
Energy: 0.7589039451231014
Energy: 0.7474231454716007
Energy: 0.7896509472602848
Energy: 0.7474231454716007
Energy: 0.7768682460980141
Energy: 0.7928833233031527
Energy: 0.7893759925157469
Energy: 0.792883323302228
Energy: 0.7746039491992072
Energy: 0.7624199832296346
Energy: 0.7637443932855565
Energy: 0.7624199832296346
Energy: 0.7911689819102672
Energy: 0.7646749744261397
Energy: 0.7620997733904247
Energy: 0.7646749744307634
Energy: 0.790242387530118
Energy: 0.7609688244028672
Energy: 0.8152449539052864
Energy: 0.7609688244093405
Energy: 0.7620257510659851
Energy: 0.7630782291866544
Energy: 0.7801581198430867
Energy: 0.7630782291866544
Energy: 0.7619402451222722
Energy: 0.7634325238335578
Energy: 0.7620430953232573
Energy: 0.7634325238243103
Energy: 0.787412979296041
Energy: 0.7627090919504959
Energy: 0.7620770876527503
Energy: 0.7627090919504959

minimum gb energy = 0.7050552606864001 eV
minimum distance =  2.26975755112608 Angstroms
sigma value = 113


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

Energy: 0.014418336621749033
Energy: 0.10389732144055853
Energy: 0.8613574525766381
Energy: 0.014552692013795988
Energy: 0.09402370491618617
Energy: 0.1048953085833155
Energy: 0.09389608526984917
Energy: 0.1048953085833155
Energy: 0.09047427069154126
Energy: 0.10476059190178111
Energy: 0.015066676485716118
Energy: 0.10476059190178111
Energy: 0.09021225380019025
Energy: 0.10597128079008769
Energy: 0.016571441740191695
Energy: 0.10597128079008769
Energy: 0.09191371449195142
Energy: 0.10394348686246746
Energy: 0.09185455531750907
Energy: 0.10394348686108515
Energy: 0.015113193957081427
Energy: 0.10539299753800441
Energy: 0.09014069162434192
Energy: 0.10539299753800441

minimum gb energy = 0.014418336621749033 eV
minimum distance =  2.44470011587486 Angstroms
sigma value = 1