Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315641880036
cohesive_energy=3.5402784093827564
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01370023964598704
Energy: 0.014469363580693072
Energy: 0.8633268118366972
Energy: 0.014469363580693072
Energy: 0.014469363580693072
Energy: 0.7316223739102441
Energy: 0.014469363580693072
Energy: 0.7316223739102441
Energy: 0.863326811837325
Energy: 0.014469363580693072
Energy: 0.01370023964598704
Energy: 0.014469363580693072
Energy: 0.014469363580693072
Energy: 0.7316223739102441
Energy: 0.014469363580065273
Energy: 0.7316223739102441

minimum gb energy = 0.01370023964598704 eV
minimum distance =  2.47126489396798 Angstroms
sigma value = 1


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

Energy: 0.9558533494822181
Energy: 1.0030196441092678
Energy: 0.9131299626141045
Energy: 1.0030196441092678
Energy: 0.8945424666370458
Energy: 1.1435577795454825
Energy: 0.8981535292919325
Energy: 1.143557779546244
Energy: 1.011126030120103
Energy: 0.994930743057025
Energy: 0.944447985608175
Energy: 0.994930743057025
Energy: 0.8904029883482737
Energy: 1.075415584826721
Energy: 0.8653326475578736
Energy: 1.0754155848274827
Energy: 0.935073719133055
Energy: 1.0622482760751053
Energy: 0.9009434961992404
Energy: 1.0622482760751053
Energy: 0.8572548530918517
Energy: 1.1809054928206688
Energy: 0.8399384696751544
Energy: 1.180905492819146
Energy: 0.9329381837480762
Energy: 1.0836183487723867
Energy: 0.8758361401344805
Energy: 1.083618348771625
Energy: 0.8188205155915829
Energy: 1.0626163057640903
Energy: 0.8285155499477646
Energy: 1.0626163057640903
Energy: 0.8782774017746734
Energy: 1.1112668806663863
Energy: 1.0079453636825546
Energy: 1.1112668795788483
Energy: 0.8324892552165257
Energy: 0.9956610935304608
Energy: 0.812591507661215
Energy: 0.9956610935296996
Energy: 1.0185065338835437
Energy: 0.9578015664447923
Energy: 0.8783736285029482
Energy: 0.9578015664447923
Energy: 0.9184522922790809
Energy: 1.0636210720435735
Energy: 0.8429242920438795
Energy: 1.0636210720443349
Energy: 0.8973371965582793
Energy: 1.1182156958447549
Energy: 0.9328555128638837
Energy: 1.1182156958447549
Energy: 0.9468627583230839
Energy: 0.9984392056787826
Energy: 0.8581994513216356
Energy: 0.9984392056787826
Energy: 0.9228983621416873
Energy: 1.062185354982933
Energy: 0.9959510700691595
Energy: 1.062185354982933
Energy: 0.9224201844145634
Energy: 1.1199664350498764
Energy: 0.8935056773788742
Energy: 1.1199664350491152
Energy: 0.9443324179616726
Energy: 0.9966684715730733
Energy: 0.856265849371136
Energy: 0.9966684715730733
Energy: 0.8982138222744035
Energy: 1.1194963549467511
Energy: 0.9326373349690981
Energy: 1.1194963549459898
Energy: 0.8213086640632196
Energy: 1.0056854807641562
Energy: 0.8417080089161934
Energy: 1.0056854807633948
Energy: 1.0148312578327072
Energy: 0.8849009403812093
Energy: 0.8798265924643723
Energy: 0.8849009403812093
Energy: 0.8351945717450382
Energy: 0.9954793164626122
Energy: 0.8176317402271049
Energy: 0.9954793164633735
Energy: 0.8793069232442527
Energy: 1.1793103216673444
Energy: 1.004312438215047
Energy: 1.1793103216673444
Energy: 1.0253019870605582
Energy: 1.063086740023937
Energy: 0.8822318702917251
Energy: 1.063086740023937
Energy: 0.9638679081029444
Energy: 1.0488139437989663
Energy: 0.8760768323391825
Energy: 1.048813943798205
Energy: 0.8742329647548551
Energy: 1.1747882264127794
Energy: 1.033312852155473
Energy: 1.174788226413541
Energy: 0.9341859669230943
Energy: 1.0579379134657647
Energy: 0.8612173097398558
Energy: 1.0579379134665263
Energy: 0.892605259560685
Energy: 0.9392180953145277
Energy: 0.8789705181444335
Energy: 0.9392180953152891
Energy: 1.0050547112316444
Energy: 0.9938148617888882
Energy: 0.9422628079022151
Energy: 0.9938148617896495
Energy: 0.8938563664453386
Energy: 1.0543520794205539
Energy: 0.8926762164962896
Energy: 1.0543520794205539
Energy: 0.9560313586068386
Energy: 1.003954318122407
Energy: 0.9201578638824088
Energy: 1.003954318122407
Energy: 0.8924493827828722
Energy: 1.0862087001318406
Energy: 0.8972574097992648
Energy: 1.0862087001318406
Energy: 0.86854108216932
Energy: 0.9992379408547516
Energy: 0.9475035650436847
Energy: 0.9992379408555129
Energy: 0.9125097956705698
Energy: 0.8862268209282056
Energy: 0.8649568041316453
Energy: 0.8862268209266828

minimum gb energy = 0.812591507661215 eV
minimum distance =  2.32927048338088 Angstroms
sigma value = 1


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

Energy: 1.0164719294764537
Energy: 1.0672389616130251
Energy: 0.9621986259896401
Energy: 1.0672389616147615
Energy: 0.9335785796591026
Energy: 1.1970010593033318
Energy: 0.9366885762385633
Energy: 1.1970010593015954
Energy: 1.0711729857089816
Energy: 1.052923893679267
Energy: 1.0107210102004713
Energy: 1.052923893679267
Energy: 0.9039060863053842
Energy: 0.9045665662394416
Energy: 0.890410140653092
Energy: 0.9045665662403098
Energy: 0.9040205759532164
Energy: 1.130640562993385
Energy: 1.0494625545380132
Energy: 1.130640562993385
Energy: 0.9943564823008385
Energy: 1.1358370275937029
Energy: 1.0117744528922121
Energy: 1.1358370275954393
Energy: 1.0281668459928375
Energy: 1.0877926582637185
Energy: 0.9226407009387948
Energy: 1.0877926582619826
Energy: 0.847331156427179
Energy: 1.074167263876014
Energy: 0.8774210142460147
Energy: 1.0741672638751458
Energy: 0.9178827247830349
Energy: 0.9324137196356406
Energy: 1.086810321573632
Energy: 0.9324137196365087
Energy: 0.8771953425062685
Energy: 1.144995604518014
Energy: 0.9075058208508027
Energy: 1.1449956045206187
Energy: 0.9190514136858016
Energy: 1.0897386378648635
Energy: 0.9431694597498855
Energy: 1.089738637863995
Energy: 0.8841423009930693
Energy: 1.0594002754361336
Energy: 0.9819398077093201
Energy: 1.0594002754343976
Energy: 0.9820548524639917
Energy: 1.12873290095261
Energy: 0.9214090140289795
Energy: 1.12873290095261
Energy: 0.9820175356950478
Energy: 1.1288632249318775
Energy: 0.9110720051310837
Energy: 1.1288632249336137
Energy: 0.8841014224649363
Energy: 1.0592463839627297
Energy: 0.9816741288591965
Energy: 1.0592463839644661
Energy: 0.9191461291488464
Energy: 1.089562733785773
Energy: 0.9366378096483519
Energy: 1.089562733785773
Energy: 0.8771905228894563
Energy: 1.1450129601758552
Energy: 0.8547817893305251
Energy: 1.145012960176723
Energy: 0.9178667814326659
Energy: 0.9323804603286275
Energy: 0.9523818255199061
Energy: 0.9323804603286275
Energy: 0.8473114976557045
Energy: 1.0740076225204458
Energy: 0.8690309993327302
Energy: 1.0740076225230502
Energy: 1.0281990853954082
Energy: 1.087696677146469
Energy: 0.9207419130291171
Energy: 1.0876966771456007
Energy: 0.9944872589382625
Energy: 1.1355364422025185
Energy: 0.863107597057475
Energy: 1.1355364422007823
Energy: 0.904051023973616
Energy: 1.130745814184225
Energy: 0.9227199238471253
Energy: 1.1307458141859612
Energy: 0.9039744130573882
Energy: 0.904267859558754
Energy: 0.8903944907524173
Energy: 0.9042678595613584
Energy: 1.0713379273628691
Energy: 1.052924765824069
Energy: 1.0103842072179492
Energy: 1.052924765823201
Energy: 0.9335209965038965
Energy: 1.1970543315604736
Energy: 0.9366171996514754
Energy: 1.1970543315613416
Energy: 1.016471929477322
Energy: 1.0672389616130251
Energy: 0.9741465745844197
Energy: 1.0672389616147615
Energy: 0.9335785796591026
Energy: 1.1970010593024636
Energy: 0.9366885762385633
Energy: 1.1970010593007274
Energy: 1.0711729857098498
Energy: 1.0529238936801353
Energy: 0.9477980571739779
Energy: 1.0529238936801353
Energy: 0.9039060863053842
Energy: 0.9045665662403098
Energy: 0.898051996354592
Energy: 0.9045665662394416

minimum gb energy = 0.8473114976557045 eV
minimum distance =  2.28501109495826 Angstroms
sigma value = 25


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

Energy: 0.9551754202589456
Energy: 1.1182167573717576
Energy: 1.0933588213910055
Energy: 1.1182167573717576
Energy: 0.9923891008778903
Energy: 1.1484821730648125
Energy: 1.015061944271425
Energy: 1.1484821730648125
Energy: 0.9456307441702526
Energy: 1.1773035564049104
Energy: 0.9314468739689047
Energy: 1.1773035564049104
Energy: 0.9247096939293755
Energy: 0.9585398753572136
Energy: 0.9347221911624458
Energy: 0.9585398753451037
Energy: 0.9355248271590338
Energy: 1.1634360739160305
Energy: 1.0721922264230082
Energy: 1.1634360739170397
Energy: 1.0419704144818975
Energy: 1.1815568392958213
Energy: 1.0853876001643092
Energy: 1.1815568392958213
Energy: 0.9792988306048233
Energy: 1.1991654383554033
Energy: 0.9795483744118774
Energy: 1.1991654383554033
Energy: 1.1376658519894747
Energy: 1.1234285316624806
Energy: 0.899461452510518
Energy: 1.1234285316614714
Energy: 0.9796555663616081
Energy: 1.1114524465493756
Energy: 0.9786735798369701
Energy: 1.1114524465493756
Energy: 0.9332396276884724
Energy: 1.1820982880974038
Energy: 0.9151877774207097
Energy: 1.1820982880984128
Energy: 0.9698321395716536
Energy: 1.1167866029495634
Energy: 0.9904424017576938
Energy: 1.1167866029495634
Energy: 0.9570520121567103
Energy: 1.153730469086863
Energy: 1.104606450465126
Energy: 1.153730469086863
Energy: 0.9315135092898703
Energy: 1.0515479385557014
Energy: 0.928166424910235
Energy: 1.0515479385557014
Energy: 0.980642376852814
Energy: 1.0211317045000463
Energy: 0.9794552473551372
Energy: 1.0211317045000463
Energy: 0.9713499204423018
Energy: 1.1651845394094742
Energy: 0.898397951534877
Energy: 1.1651845394094742
Energy: 1.0351016085552267
Energy: 0.975922222336669
Energy: 0.9676707104919655
Energy: 0.975922222336669
Energy: 0.8853946685859623
Energy: 1.1833113353922036
Energy: 0.8831906569856588
Energy: 1.1833113353911946
Energy: 0.9352766964562624
Energy: 1.1733750623356372
Energy: 0.9707164079259091
Energy: 1.1733750623356372
Energy: 0.924046502000636
Energy: 0.958509669845952
Energy: 0.9354498325874149
Energy: 0.958509669845952
Energy: 0.9793114241743651
Energy: 1.1786928844375553
Energy: 0.9566749350710274
Energy: 1.1786928844365459
Energy: 0.9601775232015543
Energy: 1.0892694634613154
Energy: 0.9569112425915014
Energy: 1.0892694634613154
Energy: 0.9572396446869577
Energy: 1.128364306348657
Energy: 1.0417710022520719
Energy: 1.128364306348657
Energy: 0.9906127089596678
Energy: 1.114577353068031
Energy: 1.0110643145682128
Energy: 1.114577353068031
Energy: 1.1541596046009952
Energy: 1.1814995516899436
Energy: 0.9332881079017394
Energy: 1.1814995516899436
Energy: 1.1653493350541286
Energy: 0.9591055354908085
Energy: 0.9625907671954387
Energy: 0.9591055354918178

minimum gb energy = 0.8831906569856588 eV
minimum distance =  2.2857262146379 Angstroms
sigma value = 9


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

Energy: 1.0008562197387667
Energy: 1.1890366952812923
Energy: 1.2313793039063046
Energy: 1.1890366952812923
Energy: 1.0270045771391154
Energy: 1.1067064121557069
Energy: 1.0733128854579699
Energy: 1.1067064090258372
Energy: 0.9916590517857284
Energy: 1.050783961437573
Energy: 0.9886667712785414
Energy: 1.050783961437573
Energy: 1.2173571562894303
Energy: 1.0244706288417338
Energy: 0.9793022284308367
Energy: 1.0244706288417338
Energy: 1.1327337853885955
Energy: 1.1073980774111754
Energy: 1.1687906731940887
Energy: 1.1073980774099714
Energy: 0.9138842017278697
Energy: 1.051313776935059
Energy: 1.2681721720923036
Energy: 1.051313776935059
Energy: 1.1311466816995324
Energy: 0.9490299726100686
Energy: 1.0148041449251999
Energy: 0.9490299726112723
Energy: 1.0685979844522122
Energy: 1.060366845695524
Energy: 0.9382223888800238
Energy: 1.060366845696728
Energy: 1.0795614026311635
Energy: 1.1067037004261608
Energy: 1.034069878678064
Energy: 1.1067945026047052
Energy: 1.0013235325100898
Energy: 1.0487752424435277
Energy: 1.0134539884555511
Energy: 1.0487752424447314
Energy: 0.9722396727701864
Energy: 1.1142254217837668
Energy: 0.9967043181526761
Energy: 1.1142254217837668
Energy: 1.0789872874517186
Energy: 1.2268464943733743
Energy: 0.9803278945426321
Energy: 1.2268464943733743
Energy: 0.9124772324420984
Energy: 1.2622227895826652
Energy: 0.9978982277987576
Energy: 1.2622227895838691
Energy: 1.0441406663900452
Energy: 1.0363709620392387
Energy: 1.1156976813329715
Energy: 1.0363709620380348
Energy: 0.9124878690202537
Energy: 1.2621668821877547
Energy: 1.0687947136021057
Energy: 1.2621668821877547
Energy: 1.0789664362604212
Energy: 1.22832920183682
Energy: 0.9806855553558874
Energy: 1.22832920183682
Energy: 0.9723903331534682
Energy: 1.1143911988362116
Energy: 0.9894075031013666
Energy: 1.114391198835008
Energy: 1.0012809061004755
Energy: 1.048759518254211
Energy: 1.013110076854479
Energy: 1.0487595182554152
Energy: 1.0794768455995642
Energy: 1.1065049518880299
Energy: 1.0619463874010537
Energy: 1.1065049518868262
Energy: 1.0685726372824407
Energy: 1.060401359754448
Energy: 0.9383087085729481
Energy: 1.060401358456058
Energy: 1.1311531273720992
Energy: 0.9488335346117968
Energy: 1.0148053366233887
Energy: 0.9488335346117968

minimum gb energy = 0.9124772324420984 eV
minimum distance =  2.38014372489741 Angstroms
sigma value = 25


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

Energy: 0.9650896998056306
Energy: 1.1597825920805516
Energy: 1.18030633030196
Energy: 1.1597825920805516
Energy: 0.9466874940906632
Energy: 1.1731581972897573
Energy: 0.9324964433516497
Energy: 1.1731581972897573
Energy: 1.0638776803966221
Energy: 1.2957650461849124
Energy: 0.9329558112860086
Energy: 1.2957650461849124
Energy: 1.3940572238334292
Energy: 1.186128320837178
Energy: 1.1332997880108793
Energy: 1.186128320837178
Energy: 1.1332895098788083
Energy: 1.0624981055322669
Energy: 1.015661723166168
Energy: 1.0624981055322669
Energy: 0.9323284836942932
Energy: 1.2350769037216376
Energy: 1.3590675955818545
Energy: 1.2350769037216376
Energy: 1.1470231174418475
Energy: 1.1470550341260883
Energy: 1.0634166238143232
Energy: 1.1470550341260883
Energy: 1.2535753397401554
Energy: 1.207350555668412
Energy: 1.017922793539764
Energy: 1.2073505556669235
Energy: 0.9329516902751036
Energy: 1.0607575001510268
Energy: 1.0014408801503598
Energy: 1.0607575001510268
Energy: 1.208369881795802
Energy: 1.2601831674073112
Energy: 1.0627571695680276
Energy: 1.2601831674073112
Energy: 1.0127291170467114
Energy: 1.2635182296201843
Energy: 1.320999559086246
Energy: 1.2635182296201843
Energy: 1.0626231572458253
Energy: 1.0230197115962933
Energy: 1.1577257655474167
Energy: 1.0230197115962933
Energy: 1.127127479283995
Energy: 1.2353337631168808
Energy: 0.9317200590234965
Energy: 1.2353337631168808
Energy: 1.063559061265518
Energy: 1.1310200161205586
Energy: 1.0939324636620524
Energy: 1.1310200161220474
Energy: 1.0170042910560295
Energy: 1.1317118534152948
Energy: 1.2543374166440968
Energy: 1.1317118534152948
Energy: 1.0007488388682173
Energy: 1.2816871716486253
Energy: 0.9357000904036822
Energy: 1.2816871716486253
Energy: 1.0633614563360023
Energy: 1.0267844485612054
Energy: 1.2068255138897748
Energy: 1.0267844485612054

minimum gb energy = 0.9317200590234965 eV
minimum distance =  2.3642657301075 Angstroms
sigma value = 17


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

Energy: 1.0438400763247178
Energy: 1.3077124843373442
Energy: 1.3534345927802747
Energy: 1.307712484338187
Energy: 1.1256264792774024
Energy: 1.0841508482558784
Energy: 0.9542517152916821
Energy: 1.0841508482567215
Energy: 1.2529445338279406
Energy: 1.2503935853701171
Energy: 0.9542700855965103
Energy: 1.2503935853718038
Energy: 1.043373772352053
Energy: 1.2581087897830845
Energy: 1.1366526397162129
Energy: 1.2581087897847711
Energy: 1.18351877312584
Energy: 1.1105281977651074
Energy: 1.188308445567889
Energy: 1.1105281977651074
Energy: 0.9650031411975963
Energy: 1.057941951265881
Energy: 1.4056686268048044
Energy: 1.0579419512431152
Energy: 1.0610174701761683
Energy: 1.0655155359075026
Energy: 1.092405092867176
Energy: 1.0655155359075026
Energy: 1.2579449344863038
Energy: 1.0594956081953086
Energy: 0.9646099298185759
Energy: 1.0594956081944655
Energy: 1.0414631742535696
Energy: 1.2375507344717782
Energy: 1.2155399900142128
Energy: 1.2375507344709349
Energy: 1.296928250421497
Energy: 1.1740825957851317
Energy: 1.046637922011117
Energy: 1.1740825957859746
Energy: 0.9542727361772427
Energy: 1.1017155734411574
Energy: 1.4023363339171189
Energy: 1.1017155734403141
Energy: 1.0719439956765278
Energy: 1.065050549103349
Energy: 1.1106400750242529
Energy: 1.0650505491050353
Energy: 1.372791702178556
Energy: 1.044123695030171
Energy: 1.049384497690465
Energy: 1.0441236950453483
Energy: 0.9545523676079011
Energy: 1.1623352554539423
Energy: 1.1662640261725943
Energy: 1.1623352554547854
Energy: 1.1126123446614395
Energy: 1.0655657688051983
Energy: 1.0812969509085004
Energy: 1.0655657688043552
Energy: 1.1621295781644563
Energy: 1.2540565289058678
Energy: 1.1642299531178812
Energy: 1.254056528906711
Energy: 1.0596551972360788
Energy: 1.1511681220514831
Energy: 1.2560939373321784
Energy: 1.1511681220506398
Energy: 1.370362362356492
Energy: 1.288718198085821
Energy: 0.9649680834213814
Energy: 1.288718198085821
Energy: 0.9985688983668546
Energy: 1.180505604113321
Energy: 1.0253151467384785
Energy: 1.1805056041023596
Energy: 1.0718266675714543
Energy: 1.0584577097515435
Energy: 1.06983864928315
Energy: 1.0584577097557593
Energy: 1.0585773250428556
Energy: 1.0943145089480788
Energy: 1.1620148100931806
Energy: 1.094314508947274
Energy: 1.034522736426546
Energy: 1.1092842820663766
Energy: 1.295551822504991
Energy: 1.1092842820663766
Energy: 1.1724156781881159
Energy: 1.234409604821592
Energy: 0.9517446892038048
Energy: 1.234409604821592
Energy: 1.0556483664920773
Energy: 1.182893784509753
Energy: 1.216386350429685
Energy: 1.182893784509753
Energy: 1.0436237174130363
Energy: 1.3234894662974397
Energy: 1.2181432264373055
Energy: 1.3234894662974397
Energy: 1.2832219518599661
Energy: 1.1023772696784342
Energy: 0.9531293242881543
Energy: 1.1023772696792775
Energy: 1.0162413420239522
Energy: 1.2566644117333814
Energy: 1.3137502635497407
Energy: 1.2566644117333814
Energy: 1.1629900192333449
Energy: 1.0589010532901328
Energy: 1.1631770876381797
Energy: 1.0589010531249445
Energy: 1.2558663965207395
Energy: 1.1957593504982134
Energy: 1.060836032516717
Energy: 1.195759350496527
Energy: 0.9647042179279619
Energy: 1.183466569485429
Energy: 1.2223038828189563
Energy: 1.1834665694845858

minimum gb energy = 0.9517446892038048 eV
minimum distance =  2.27249065175931 Angstroms
sigma value = 53


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

Energy: 0.8986038759903219
Energy: 0.8984617293458186
Energy: 1.4185391291052716
Energy: 0.8984617293458186
Energy: 1.182573391600479
Energy: 1.2020153226658419
Energy: 1.0484243081605182
Energy: 1.2020153226658419
Energy: 0.9173076679387632
Energy: 0.9186218471922621
Energy: 1.1652702800042465
Energy: 0.9186218471922621
Energy: 0.9173906316577327
Energy: 0.9184601372721314
Energy: 1.0586467741716532
Energy: 0.9184601372721314
Energy: 1.1825386381212444
Energy: 1.2019611736288378
Energy: 0.9310188015772015
Energy: 1.2019611736268967
Energy: 0.8986038759903219
Energy: 0.8984617293458186
Energy: 1.3732541193191603
Energy: 0.8984617293477598
Energy: 1.182573391600479
Energy: 1.2020153226658419
Energy: 1.1507234159078017
Energy: 1.2020153226677832
Energy: 0.9173076679387632
Energy: 0.9186218471922621
Energy: 1.1652702800042465
Energy: 0.9186218471922621
Energy: 0.9173906316596738
Energy: 0.9184601372779548
Energy: 1.0726598721906753
Energy: 0.9184601372779548
Energy: 1.1825386381193033
Energy: 1.2019611736268967
Energy: 1.0501153305267141
Energy: 1.2019611736268967
Energy: 0.8986038759903219
Energy: 0.8984617293458186
Energy: 1.4538238649709943
Energy: 0.8984617293458186
Energy: 1.182573391600479
Energy: 1.2020153226658419
Energy: 1.1507234159078017
Energy: 1.2020153226658419
Energy: 0.9173076679387632
Energy: 0.9186218471922621
Energy: 1.1652702800042465
Energy: 0.9186218471922621

minimum gb energy = 0.8984617293458186 eV
minimum distance =  2.34277481242075 Angstroms
sigma value = 9


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

Energy: 0.9906217844092254
Energy: 1.3351527203156255
Energy: 1.388600232751726
Energy: 1.335152720316344
Energy: 1.3219035989805477
Energy: 1.103207074742982
Energy: 1.071178134142144
Energy: 1.1032070747451375
Energy: 1.2074491029408434
Energy: 1.1980285406289501
Energy: 1.0117920254369388
Energy: 1.1980285406289501
Energy: 1.4272937941321848
Energy: 1.279742290801132
Energy: 1.095589790979584
Energy: 1.2797422908018505
Energy: 1.3575336816821182
Energy: 1.0377414490689312
Energy: 1.0739197136309993
Energy: 1.0377414490682126
Energy: 0.9794399889175602
Energy: 0.979371860689944
Energy: 1.4737824993273891
Energy: 0.9793718606906624
Energy: 1.4849582018476002
Energy: 1.3928414087407133
Energy: 1.0568699512398805
Energy: 1.3928414087407133
Energy: 1.2084777541873453
Energy: 1.3169369937289244
Energy: 1.2563742058771203
Energy: 1.3169369937289244
Energy: 1.2142514927017658
Energy: 1.3648027172334531
Energy: 0.9880614946032712
Energy: 1.3648027172341717
Energy: 1.0602655209662737
Energy: 1.0820578347218317
Energy: 1.0437467931386284
Energy: 1.0820578347211134
Energy: 1.11574255831328
Energy: 1.3543896251933447
Energy: 1.4416546001086694
Energy: 1.3543896251940633
Energy: 1.317365627053223
Energy: 1.3291796630381778
Energy: 1.0226577844086495
Energy: 1.3291796630381778
Energy: 1.0735046963614792
Energy: 1.085408642276061
Energy: 1.3491746332850287
Energy: 1.0854086423313496
Energy: 1.4267593222826813
Energy: 1.3034843567399161
Energy: 0.9940035231003034
Energy: 1.3034843567391978
Energy: 1.0591969261832257
Energy: 1.229172302242637
Energy: 1.232581027724049
Energy: 1.229172302242637
Energy: 1.041175128690186
Energy: 1.2882853104681724
Energy: 1.2486099965714985
Energy: 1.2882853104703278
Energy: 1.1464974165833135
Energy: 1.2305062204633261
Energy: 1.0593374003026386
Energy: 1.2305062204633261
Energy: 1.1038797364770407
Energy: 1.0345565289249041
Energy: 1.271955470459933
Energy: 1.0345565289249041
Energy: 1.4697822957078517
Energy: 1.171881337076012
Energy: 0.9823316848245014
Energy: 1.17188133707673
Energy: 1.0179179840627077
Energy: 1.11061309045086
Energy: 1.2246513475602405
Energy: 1.110613090452297
Energy: 1.25934178377912
Energy: 1.3689633046607443
Energy: 1.2576950455240088
Energy: 1.3689633046607443
Energy: 1.1227043531201217
Energy: 1.1569646485618559
Energy: 1.0573102345327805
Energy: 1.1569646485618559
Energy: 0.988282922601249
Energy: 1.1713956074310894
Energy: 1.1426793770195787
Energy: 1.1713956074310894
Energy: 1.4375182033306373
Energy: 1.2234090224992877
Energy: 1.113371815839895
Energy: 1.2234090225000063
Energy: 1.056216542245924
Energy: 1.2945739198674522
Energy: 1.4031391899467067
Energy: 1.2945739198667339
Energy: 1.189794534733187
Energy: 0.9795942328702778
Energy: 1.1106951408420283
Energy: 0.9795942328702778
Energy: 1.1339600790995699
Energy: 1.2322303115263618
Energy: 1.2729642960325267
Energy: 1.2322303115263618
Energy: 0.9957650455952367
Energy: 1.2637212656913803
Energy: 1.2760899293813452
Energy: 1.2637212656920986
Energy: 1.1292020330876384
Energy: 0.9796053092584613
Energy: 1.1093175789693976
Energy: 0.9796053092577429
Energy: 1.0230478791813398
Energy: 1.3980714527857638
Energy: 1.4211628468995188
Energy: 1.3980714527864821
Energy: 1.3588426770916198
Energy: 1.3525416783627378
Energy: 1.1125317600056257
Energy: 1.352541678363456
Energy: 0.9788850604064485
Energy: 1.0363541197850235
Energy: 1.1421590828470403
Energy: 1.0363541197857418
Energy: 0.9803073022224378
Energy: 1.1563282831501964
Energy: 1.2063661351717192
Energy: 1.1563282831509147
Energy: 1.2615738925678874
Energy: 1.2889861796010902
Energy: 1.2556123489200526
Energy: 1.288986179601809
Energy: 1.0504082311589946
Energy: 1.2151738453268879
Energy: 1.4890621638034613
Energy: 1.2151738453268879

minimum gb energy = 0.9788850604064485 eV
minimum distance =  2.29894686849927 Angstroms
sigma value = 73


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

Energy: 1.0532084537867894
Energy: 1.0520585657796941
Energy: 1.484698142047621
Energy: 1.05205856590731
Energy: 1.2549509798665277
Energy: 1.2029500058456182
Energy: 1.0530759508257166
Energy: 1.2029500058456182
Energy: 1.0996995061124633
Energy: 1.0572374470041614
Energy: 1.004958356655123
Energy: 1.0572374470041614
Energy: 1.251333687761086
Energy: 1.1449448845652141
Energy: 1.166740987254417
Energy: 1.1449448845652141
Energy: 1.1321919862377667
Energy: 1.1245931692842166
Energy: 0.990611885264985
Energy: 1.1245931692842166
Energy: 1.1557232981350416
Energy: 1.0082539361158498
Energy: 1.40936000563254
Energy: 1.00825393611243
Energy: 1.4941382491339927
Energy: 1.2684161175307835
Energy: 1.1013870403382091
Energy: 1.2684161175307835
Energy: 1.0849840685652046
Energy: 1.2019650549951468
Energy: 1.3375447644686687
Energy: 1.2019650549951468
Energy: 1.4200874839484263
Energy: 0.9802230486803376
Energy: 0.980543350876224
Energy: 0.9802230486791977
Energy: 1.0584430307368333
Energy: 1.1657008784339185
Energy: 0.9807533244029188
Energy: 1.1657008784339185
Energy: 1.079493920101582
Energy: 1.0568867614748154
Energy: 1.3780827480814697
Energy: 1.0568867614736754
Energy: 1.2789884757649563
Energy: 1.1710949427544113
Energy: 1.0697031794127492
Energy: 1.171094942755551
Energy: 1.117325716002405
Energy: 1.188542769797153
Energy: 1.2854959997949043
Energy: 1.188542769796013
Energy: 1.3794189864215924
Energy: 1.1708741640925986
Energy: 1.1408270683127624
Energy: 1.1708741640925986
Energy: 0.9907095628500115
Energy: 1.2619766592313555
Energy: 1.3846705897479963
Energy: 1.2619766592302155
Energy: 1.3335749589582215
Energy: 1.190456971775129
Energy: 1.0525209097717327
Energy: 1.190456971775129
Energy: 1.0526752157087058
Energy: 1.1163161297612525
Energy: 1.0997789517538685
Energy: 1.1163161297612525
Energy: 1.0518308954340847
Energy: 1.0521615122183368
Energy: 1.105110024837447
Energy: 1.052161512128337
Energy: 1.0410819707216372
Energy: 0.9796311428079302
Energy: 1.1433629543892938
Energy: 0.97963114280907
Energy: 1.0604830065884334
Energy: 1.3766954648329635
Energy: 1.4553384594035492
Energy: 1.3766954648329635
Energy: 1.382970979941881
Energy: 1.1423382863570573
Energy: 1.1548786028432387
Energy: 1.142338286358197
Energy: 1.1252253994216241
Energy: 1.1131782947361148
Energy: 1.4164767625918886
Energy: 1.1131782947361148

minimum gb energy = 0.9796311428079302 eV
minimum distance =  2.30985283083257 Angstroms
sigma value = 7


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

Energy: 1.000365544319931
Energy: 0.9998896634429966
Energy: 1.4929324900297156
Energy: 0.9998896634413845
Energy: 1.4817827506056993
Energy: 1.1204171579516258
Energy: 1.1129002437598379
Energy: 1.1204171579508195
Energy: 1.1069753490776726
Energy: 1.1642222703747607
Energy: 1.0658791752100014
Energy: 1.1642222703739549
Energy: 1.1374540685583412
Energy: 1.069017773023551
Energy: 1.1191580470357918
Energy: 1.069017773024357
Energy: 1.0629679876066025
Energy: 1.1014283956105744
Energy: 1.011953405087201
Energy: 1.1014283956121866
Energy: 1.1163162491244003
Energy: 1.1049767666029933
Energy: 1.3688224418152646
Energy: 1.1049767666029933
Energy: 1.2418339419353248
Energy: 1.3421502094108433
Energy: 1.140594413390132
Energy: 1.3421502094060076
Energy: 1.1159645314719067
Energy: 1.000966875204296
Energy: 1.5124106096875303
Energy: 1.0009668752123562
Energy: 1.2851994845177888
Energy: 1.0612057312601655
Energy: 1.1164335977693673
Energy: 1.0612057312609715
Energy: 1.0669274658439034
Energy: 1.1804433924156938
Energy: 1.2881592025542583
Energy: 1.1804433924181121
Energy: 1.1382126973999376
Energy: 1.1646435166609639
Energy: 1.11846342006599
Energy: 1.1646435166585458
Energy: 1.002128966019606
Energy: 1.1015248058466969
Energy: 1.117472113899898
Energy: 1.1015248058450848
Energy: 1.010841693812903
Energy: 1.0002779559355528
Energy: 1.2586692948411593
Energy: 1.000277955937971
Energy: 1.138755695331247
Energy: 0.9962791356575905
Energy: 1.2196158096224523
Energy: 0.9962791356559784
Energy: 1.0649712131451172
Energy: 1.3136924213321834
Energy: 1.4089450596598925
Energy: 1.3136924213305712
Energy: 1.4704087516411473
Energy: 0.9956006708737376
Energy: 1.143228078778319
Energy: 0.9956006708753496
Energy: 1.073361463271904
Energy: 1.1013749307441894
Energy: 1.263829299225299
Energy: 1.1013749307449956
Energy: 1.025333088485489
Energy: 1.0697547279952586
Energy: 1.116824225405273
Energy: 1.0697547279992887
Energy: 1.074036395838909
Energy: 1.1029206819476656
Energy: 1.0359036255238654
Energy: 1.1029206819468595
Energy: 1.0749769150561113
Energy: 1.0876550483311733
Energy: 1.1236058712943608
Energy: 1.0876550483303673
Energy: 1.1355083231591794
Energy: 1.208257616786489
Energy: 1.1165461052636183
Energy: 1.208257616788101
Energy: 1.1060339707424451
Energy: 1.261623463594467
Energy: 1.3307676418087202
Energy: 1.261623463594467
Energy: 1.438827947106244
Energy: 1.1161806897350146
Energy: 1.160639420255101
Energy: 1.1161806897350146
Energy: 1.0049145608293921
Energy: 1.001049311013045
Energy: 1.5308075430062769
Energy: 1.0010493110098209
Energy: 1.2064483775681365
Energy: 1.1306871142713881
Energy: 1.0558757033153714
Energy: 1.1306871142713881
Energy: 1.1715554087135158
Energy: 1.1622468951878462
Energy: 1.138408987324287
Energy: 1.162246895186234
Energy: 1.0612555191785082
Energy: 1.1270073833322791
Energy: 1.0935410684588909
Energy: 1.1270073833306669
Energy: 1.2525421000499046
Energy: 1.100964395679158
Energy: 1.119042561335097
Energy: 1.100964395677546
Energy: 1.093377232825536
Energy: 1.0009815185777573
Energy: 1.3127095976675363
Energy: 1.0009815185769513
Energy: 1.3046920928819306
Energy: 1.2832086888363572
Energy: 1.1524226351723446
Energy: 1.2832086888363572
Energy: 1.0933211494257848
Energy: 1.0007186265408683
Energy: 1.356146687286925
Energy: 1.0007186265400623

minimum gb energy = 0.9956006708737376 eV
minimum distance =  2.29662786914923 Angstroms
sigma value = 29


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

Energy: 0.9428588356950759
Energy: 0.9423441434066637
Energy: 1.2957803006152486
Energy: 0.9423441434063828
Energy: 1.4061195145775234
Energy: 1.174171158755055
Energy: 0.9407666189795204
Energy: 1.1741711587547743
Energy: 1.0231693483973012
Energy: 1.1268611189032507
Energy: 1.1602095333108688
Energy: 1.12686111890297
Energy: 0.9410282428892284
Energy: 0.9130162204713652
Energy: 1.1734652415043438
Energy: 0.9130162204691815
Energy: 0.9434760007731943
Energy: 0.9137022780883515
Energy: 1.1615634272298827
Energy: 0.9137022780872595
Energy: 1.171526221777564
Energy: 0.992314142112846
Energy: 1.1714964392303198
Energy: 0.9923141421133763
Energy: 0.9126429343199279
Energy: 0.9129749256714813
Energy: 0.9434562677296425
Energy: 0.912974925673665
Energy: 1.1748734756392873
Energy: 0.9133161436755206
Energy: 0.9407958836187991
Energy: 0.9133161436749592
Energy: 1.1600489202370987
Energy: 1.126862121464351
Energy: 1.1106612161157134
Energy: 1.1268621214646317

minimum gb energy = 0.9126429343199279 eV
minimum distance =  2.33641862531254 Angstroms
sigma value = 5


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

Energy: 0.9386413131562137
Energy: 0.9453816365997394
Energy: 1.35876924052819
Energy: 0.9453816366012621
Energy: 1.1313161833456318
Energy: 1.2304661904052019
Energy: 0.9552213203695982
Energy: 1.230466190411293
Energy: 0.9239500155060872
Energy: 1.0356524468080552
Energy: 1.1722331330717526
Energy: 1.03565244682176
Energy: 0.9941550527060588
Energy: 0.9922016747210071
Energy: 0.9265680569431711
Energy: 0.9922016747217683
Energy: 0.9367138122396433
Energy: 0.997438599097978
Energy: 1.1425324142606748
Energy: 0.9974385991010235
Energy: 1.0931005099685829
Energy: 1.0393538293140174
Energy: 0.9243456204695671
Energy: 1.0393538293124946
Energy: 0.9209287337969265
Energy: 0.9952953650175856
Energy: 0.9171676821915135
Energy: 0.9952953650168244
Energy: 0.9203132019155064
Energy: 0.9467247475354494
Energy: 0.9376179365249806
Energy: 0.9467247475354494
Energy: 0.9236198212927568
Energy: 0.9955905202157475
Energy: 0.9673860642260116
Energy: 0.9955905202157475
Energy: 0.9233225793093971
Energy: 0.9953886890670558
Energy: 0.9241814429660044
Energy: 0.9953886890670558
Energy: 0.9660053352412453
Energy: 1.1725544583085372
Energy: 0.9259741873839022
Energy: 1.1725544583092986
Energy: 0.9573221102069084
Energy: 0.9346293880650278
Energy: 0.9446786821006401
Energy: 0.9346293880635052
Energy: 1.0691906716932966
Energy: 0.9454877662332867
Energy: 0.9479832501059283
Energy: 0.9454877662332867
Energy: 0.935742855948209
Energy: 1.244927327446423
Energy: 1.2502500088818977
Energy: 1.2449273274471844
Energy: 1.4910603907003257
Energy: 1.1825158691850324
Energy: 0.9253943695660776
Energy: 1.1825158691850324
Energy: 0.9251100989917808
Energy: 0.941753190029429
Energy: 1.213842739251433
Energy: 0.9417531900309517
Energy: 1.1380079032098405
Energy: 0.9348758274352613
Energy: 0.9368411329746147
Energy: 0.9348758274360227
Energy: 0.9276580684301692
Energy: 1.0402675663780947
Energy: 1.3153829966692607
Energy: 1.0402675663780947
Energy: 0.9223651005291938
Energy: 0.9960171997656305
Energy: 0.9254881552201248
Energy: 0.9960171997648692
Energy: 0.9344764447194609
Energy: 1.1311499177146835
Energy: 0.9325757799282375
Energy: 1.1311499177162065
Energy: 0.942302463238951
Energy: 0.9912805485068884
Energy: 0.928694985049938
Energy: 0.9912805485068884
Energy: 0.9601153033638761
Energy: 0.9957975118964102
Energy: 0.923467048815571
Energy: 0.9957975118971715
Energy: 0.9278876878582656
Energy: 1.17117869743103
Energy: 0.9685330495173462
Energy: 1.1711786974302683
Energy: 0.945601307996828
Energy: 0.9501375483478275
Energy: 0.9572247129055437
Energy: 0.9501375483485889
Energy: 0.9517357680784647
Energy: 0.9400287361804169
Energy: 0.9565973561473088
Energy: 0.9400287361804169
Energy: 0.9647993049430696
Energy: 0.9460741156188167
Energy: 0.9388144490725208
Energy: 0.946074115619578
Energy: 0.9281645204610802
Energy: 0.9185170530021391
Energy: 1.0734170174960358
Energy: 0.9185170530021391
Energy: 1.226165066932765
Energy: 1.1451189930712335
Energy: 0.9250256840792388
Energy: 1.1451189930712335
Energy: 0.9313136757514106
Energy: 1.077392752225483
Energy: 1.2557633653106859
Energy: 1.077392752261995
Energy: 1.313086162957606
Energy: 1.0410863495864449
Energy: 0.9276209950935824
Energy: 1.0410863495872063
Energy: 0.9226342601165655
Energy: 0.9317985558031813
Energy: 1.3050323085118065
Energy: 0.9317985558039427
Energy: 1.1347904673327593
Energy: 1.003543800798803
Energy: 0.9316364301590764
Energy: 1.0035438007980417
Energy: 0.9266570170670536
Energy: 1.1429247443516382
Energy: 1.0117980076390998
Energy: 1.1429247443516382

minimum gb energy = 0.9171676821915135 eV
minimum distance =  2.27608302818459 Angstroms
sigma value = 1


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

Energy: 1.0068139545404124
Energy: 1.0803697747845802
Energy: 1.2856026780150984
Energy: 1.0803697747835272
Energy: 1.2676205268537184
Energy: 0.877807164556323
Energy: 0.897284852410734
Energy: 0.877807164556323
Energy: 0.8899584570220472
Energy: 0.9073768990475298
Energy: 1.077647456142645
Energy: 0.9073768990464771
Energy: 0.9041168615189351
Energy: 0.9729823521678549
Energy: 0.8976812917853859
Energy: 0.9729823521678549
Energy: 0.8963070922807275
Energy: 0.903647755049497
Energy: 1.1568705099158505
Energy: 0.903647755049497
Energy: 0.8953747883610943
Energy: 1.0993300722745998
Energy: 0.8976936461384623
Energy: 1.0993300722735468
Energy: 0.8900157250453117
Energy: 1.0010245484968436
Energy: 0.9029135551461537
Energy: 1.0010245484968436
Energy: 0.8902695426183892
Energy: 0.909415942754808
Energy: 0.9375432046791624
Energy: 0.909415942754808
Energy: 0.9063887882879609
Energy: 0.9123370956016639
Energy: 0.9530198472375173
Energy: 0.912337095600611
Energy: 0.9064052728974377
Energy: 1.131188741080385
Energy: 0.9259810513776193
Energy: 1.131188741080385
Energy: 0.8906338651628871
Energy: 0.9088294426936468
Energy: 0.9155536754508095
Energy: 0.9088294426936468
Energy: 0.8901292157083535
Energy: 1.1028658231546402
Energy: 1.0563722878030304
Energy: 1.1028658231546402
Energy: 0.8955186247293947
Energy: 1.1772183653992776
Energy: 0.8995233593445329
Energy: 1.1772183653992776
Energy: 0.8961653012420235
Energy: 0.90960135847465
Energy: 1.2132799223762223
Energy: 0.90960135847465
Energy: 0.9585435756832557
Energy: 0.9706419360253591
Energy: 0.8995389032257973
Energy: 0.9706419360264119
Energy: 0.88968871251996
Energy: 0.90692648061558
Energy: 1.1819374951086359
Energy: 0.90692648061558
Energy: 1.0630430779011546
Energy: 1.2958546535552895
Energy: 0.8940269946974546
Energy: 1.2958546535563182
Energy: 1.0068139545404124
Energy: 1.0803697747845802
Energy: 1.2855402912159788
Energy: 1.0803697747835272
Energy: 1.2676205268547711
Energy: 0.877807164556323
Energy: 0.897284852410734
Energy: 0.8778071645573757
Energy: 0.8899584570220472
Energy: 0.9073768990464771
Energy: 1.0776474561436975
Energy: 0.9073768990454243
Energy: 0.9041168615220934
Energy: 0.9729823521678549
Energy: 0.8976812917853859
Energy: 0.9729823521678549
Energy: 0.8963070922807275
Energy: 0.903647755049497
Energy: 1.1568705099169032
Energy: 0.903647755049497
Energy: 0.895374788362147
Energy: 1.0993300722745998
Energy: 0.8976936461384623
Energy: 1.0993300722745998
Energy: 0.8900157250442589
Energy: 1.0010245484978963
Energy: 0.9029135551472065
Energy: 1.0010245484968436

minimum gb energy = 0.877807164556323 eV
minimum distance =  2.3002371464191 Angstroms
sigma value = 17


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

Energy: 0.9013677982857017
Energy: 0.9012629128442646
Energy: 1.2288020037950564
Energy: 0.9012629128429632
Energy: 1.0785229168151451
Energy: 0.8937536023396712
Energy: 0.884038563819954
Energy: 0.8937536023390205
Energy: 0.8815654092431425
Energy: 0.979693229591552
Energy: 1.1106525575964372
Energy: 0.979693229591552
Energy: 1.0103880047420766
Energy: 1.0777752448932973
Energy: 0.8799267206128979
Energy: 1.077775244893948
Energy: 0.8824977640482636
Energy: 0.8988258796654129
Energy: 1.1931367320453639
Energy: 0.8988258796621594
Energy: 0.9444772551235368
Energy: 1.2440227182990813
Energy: 0.8883507867284668
Energy: 1.2440227182990813
Energy: 0.8995504308341559
Energy: 1.0932250912515187
Energy: 0.8926251041683682
Energy: 1.0932250912508679
Energy: 0.8801144405022938
Energy: 1.1110777776728804
Energy: 0.8808851147155955
Energy: 1.1110777776728804
Energy: 0.9038268393069546
Energy: 1.1104354091332522
Energy: 0.9308347964761094
Energy: 1.1104354091332522
Energy: 0.9052573892261299
Energy: 1.1123906918385131
Energy: 0.8903788779371637
Energy: 1.112390691839164
Energy: 0.8862906182378549
Energy: 1.0972832243405817
Energy: 0.888723096718033
Energy: 1.0972832243412323
Energy: 0.8872131154357211
Energy: 0.9424656505500039
Energy: 0.8755304754193454
Energy: 0.9424656505506546
Energy: 0.8902975975504416
Energy: 1.1058343605528942
Energy: 0.8826882639024644
Energy: 1.1058343605535448
Energy: 0.8992690948525133
Energy: 1.1050490396874086
Energy: 0.9014017745495142
Energy: 1.1050490396861075
Energy: 0.8963452528752458
Energy: 1.115290474715536
Energy: 0.9088933694166605
Energy: 1.1152904747148857
Energy: 0.8869645550401755
Energy: 0.8953111487580787
Energy: 1.1895722561822324
Energy: 0.8953111487587294
Energy: 0.8835490460489227
Energy: 1.0816903029161586
Energy: 0.884752427288384
Energy: 1.0816903029181106
Energy: 0.8766507294369723
Energy: 0.9873062790328693
Energy: 1.0822552100373972
Energy: 0.9873062790335199
Energy: 1.430241117156176
Energy: 1.008456024250573
Energy: 0.8839256311190281
Energy: 1.008456024248621
Energy: 0.8853585954019078
Energy: 0.8926239908564317
Energy: 1.0948907562368317
Energy: 0.8926239908564317
Energy: 1.3664626262630468
Energy: 0.8881751050599753
Energy: 0.8975293281227572
Energy: 0.888175105060626
Energy: 0.8971522173146244
Energy: 0.989589385023375
Energy: 1.2421627251434497
Energy: 0.9895893850220736
Energy: 0.989762440553873
Energy: 1.086762891043571
Energy: 0.8864569688611754
Energy: 1.0867628910429203
Energy: 0.8840340273637409
Energy: 0.8874377280736445
Energy: 1.1353523181010725
Energy: 0.8874377280749458
Energy: 0.948324071532182
Energy: 0.9872645027530669
Energy: 0.8783142289993486
Energy: 0.9872645027530669
Energy: 0.885096097644321
Energy: 0.960002971525497
Energy: 0.8830976875035434
Energy: 0.960002971525497
Energy: 1.0745806091678236
Energy: 1.10955725823932
Energy: 0.8883311421316504
Energy: 1.10955725823932
Energy: 0.912773993494063
Energy: 1.1155150316744884
Energy: 0.8964814671575213
Energy: 1.1155150316751392
Energy: 0.9011706053750375
Energy: 1.1051113762339682
Energy: 0.9012720168526813
Energy: 1.1051113762346187
Energy: 0.8845378873090651
Energy: 1.1056826031809937
Energy: 0.9059823388389799
Energy: 1.105682603182295
Energy: 0.8751444390786615
Energy: 0.9568842734553146
Energy: 0.8762941753360227
Energy: 0.9568842734566159
Energy: 0.8859102714042324
Energy: 1.096578534146445
Energy: 0.8835615910524264
Energy: 1.096578534145794
Energy: 0.8882232049140127
Energy: 1.1135911064864146
Energy: 1.0863234785905183
Energy: 1.1135911064851132
Energy: 0.9328891832832271
Energy: 1.1276084185686872
Energy: 0.8910339853867976
Energy: 1.127608418567386
Energy: 0.8796961105080567
Energy: 0.9868399619744471
Energy: 0.9075254748029978
Energy: 0.9868399619750977
Energy: 0.8928079514547758
Energy: 1.0937403750047139
Energy: 0.900076396036346
Energy: 1.0937403750047139
Energy: 0.8866264129748952
Energy: 1.238458933986021
Energy: 0.9447203112869589
Energy: 1.2384589339834184
Energy: 1.1923393575075163
Energy: 0.8989255919490381
Energy: 0.885385020064039
Energy: 0.8989255919457847

minimum gb energy = 0.8751444390786615 eV
minimum distance =  2.30399009802488 Angstroms
sigma value = 89


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

Energy: 0.8002610898021738
Energy: 0.8004603782151616
Energy: 0.8608059530020732
Energy: 0.8004603782151616
Energy: 0.8016502243401264
Energy: 0.8225052528022301
Energy: 0.8119849870318304
Energy: 0.8225052528022301
Energy: 0.8102446948840175
Energy: 1.2083295765929094
Energy: 1.4725299840905701
Energy: 1.2083295765946118
Energy: 0.8629726144192583
Energy: 0.8222009143191983
Energy: 0.8121241195391402
Energy: 0.8222009143191983
Energy: 0.8097646901163593
Energy: 1.149449282589195
Energy: 1.148272105010709
Energy: 1.149449282589195
Energy: 0.809759867102381
Energy: 0.8008194974271879
Energy: 0.8029090105534841
Energy: 0.8008194974271879
Energy: 0.8102773070601451
Energy: 0.9428873599760493
Energy: 0.8004870221519809
Energy: 0.9428873599760493
Energy: 0.8305133530811007
Energy: 1.2076297083431575
Energy: 0.8119855707178594
Energy: 1.2076297083431575
Energy: 0.8110371926039663
Energy: 0.8861942648120564
Energy: 0.8031822719356535
Energy: 0.8861942648120564
Energy: 0.8216610798474272
Energy: 1.1492611738336465
Energy: 0.8104664284417274
Energy: 1.1492611738336465
Energy: 0.7999285421273655
Energy: 0.8228379271287183
Energy: 0.8096005470894244
Energy: 0.8228379271287183
Energy: 0.8001292998382938
Energy: 0.9439874038671537
Energy: 0.812069983895562
Energy: 0.9439874038654511
Energy: 0.8111546091681952
Energy: 1.1509251016431268
Energy: 0.8305893566347782
Energy: 1.1509251016431268
Energy: 0.811127006887989
Energy: 0.8835722290849267
Energy: 0.8097364523707534
Energy: 0.8835722290849267
Energy: 0.8033765343778922
Energy: 1.1508444638430262
Energy: 0.8110841690702508
Energy: 1.1508444638430262

minimum gb energy = 0.7999285421273655 eV
minimum distance =  2.29304049576413 Angstroms
sigma value = 13


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

Energy: 0.7993567318571252
Energy: 1.012683724005085
Energy: 1.2258028410031974
Energy: 1.0126837240043713
Energy: 1.2656548238194436
Energy: 1.0248922748159426
Energy: 0.7741529853290667
Energy: 1.0248922748138016
Energy: 0.7783862669126961
Energy: 1.034813799250459
Energy: 0.9705103217781099
Energy: 1.0348137992497455
Energy: 0.7743565855066125
Energy: 1.0244633200909208
Energy: 0.7720887634065129
Energy: 1.0244633200902071
Energy: 0.7852064352971683
Energy: 1.1980554856991192
Energy: 0.8200197560401573
Energy: 1.1980554856991192
Energy: 0.7743630673118364
Energy: 0.9095117272337658
Energy: 0.783407694516899
Energy: 0.9095117272359065
Energy: 0.7829466905886029
Energy: 1.0195367289306172
Energy: 1.1140977172249096
Energy: 1.0195367289299038
Energy: 0.7758978943057488
Energy: 1.0457291737235865
Energy: 0.783651874945649
Energy: 1.0457291737235865
Energy: 0.7829486911104903
Energy: 0.9564527241005859
Energy: 0.9850012939016043
Energy: 0.9564527241048674
Energy: 0.9509621174671262
Energy: 1.246066606858399
Energy: 0.7719816334459048
Energy: 1.2460666068576856
Energy: 0.7844660491178036
Energy: 1.0149188756979795
Energy: 0.7734837952958301
Energy: 1.0149188756951253
Energy: 1.0557685486512425
Energy: 1.2295786977175944
Energy: 0.7779022534648763
Energy: 1.2295786977161673
Energy: 0.8076345441508764
Energy: 0.7870268279145521
Energy: 0.7961858620534801
Energy: 0.7870268280365106
Energy: 1.027921646450713
Energy: 0.9658719143932613
Energy: 0.7779353168781173
Energy: 0.9658719143946883
Energy: 0.7850736595593576
Energy: 0.917289959551555
Energy: 0.7878815910564438
Energy: 0.917289959370369
Energy: 0.7728577097180569
Energy: 0.9660451984729519
Energy: 0.779329964764652
Energy: 0.9660451984700975
Energy: 0.7824079346615959
Energy: 1.124944790252578
Energy: 0.7792139506680308
Energy: 1.1249447902504375
Energy: 0.8043252696798247
Energy: 0.8369570950461563
Energy: 0.7919628337820726
Energy: 0.8369570950482971
Energy: 0.7833297336707431
Energy: 1.0971558910004169
Energy: 0.7922507502855279
Energy: 1.097155891001844
Energy: 0.7830430786172644
Energy: 1.0969895861835064
Energy: 0.7926956449531508
Energy: 1.0969895861856471
Energy: 0.8044889194066706
Energy: 0.8371662473180222
Energy: 0.7922208015033045
Energy: 0.8371662473173088
Energy: 0.7826981285995537
Energy: 1.1248179309518538
Energy: 0.7792069146739069
Energy: 1.124817930953281
Energy: 0.772929171499347
Energy: 0.9660925247853097
Energy: 0.7792430781781958
Energy: 0.9660925247860234
Energy: 0.7845620604745493
Energy: 0.9166796662808906
Energy: 0.7793536438593974
Energy: 0.9166796662894536
Energy: 1.0494094479414178
Energy: 0.9661038118000165
Energy: 0.7778495008685238
Energy: 0.9661038118000165
Energy: 0.8078924607926923
Energy: 0.7869269960860082
Energy: 0.785511172461758
Energy: 0.7869269960838674
Energy: 1.0553558778037981
Energy: 1.2298029793847514
Energy: 0.7780288821720021
Energy: 1.229802979386892
Energy: 0.7834604763822264
Energy: 1.014770257560015
Energy: 0.7699316090253316
Energy: 1.014770257562156
Energy: 0.9512768017249167
Energy: 1.2460981470261796
Energy: 0.7719300616401439
Energy: 1.2460981470254662
Energy: 0.7860502114342651
Energy: 0.9564687980929046
Energy: 0.9001293477917388
Energy: 0.956468797997349
Energy: 0.775587384894176
Energy: 1.0461165563865868
Energy: 0.7836175484490973
Energy: 1.046116556388014
Energy: 0.7826111293799864
Energy: 1.0189681616748463
Energy: 1.136019254634955
Energy: 1.0189681616755601
Energy: 0.7745709042962338
Energy: 0.9091048369597542
Energy: 0.7836809507544754
Energy: 0.9091048369597542
Energy: 0.7847500604529292
Energy: 1.2348299063702648
Energy: 1.050800532735447
Energy: 1.2348299063688377
Energy: 0.7738897818299764
Energy: 1.025908557269391
Energy: 0.7720943106645992
Energy: 1.0259085572686772

minimum gb energy = 0.7699316090253316 eV
minimum distance =  2.28379505070212 Angstroms
sigma value = 37


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

Energy: 0.8416339467053714
Energy: 0.8416853720603494
Energy: 0.7322555215366763
Energy: 0.8416853720603494
Energy: 1.2818647195516337
Energy: 0.9251360681178551
Energy: 0.716668436260102
Energy: 0.9251360681178551
Energy: 0.7297889980622414
Energy: 1.153486544779611
Energy: 1.0095994713973595
Energy: 1.153486544779611
Energy: 0.8068125174502926
Energy: 0.8313763060928347
Energy: 0.7173269543468891
Energy: 0.8313763060928347
Energy: 0.716446673103192
Energy: 0.9252585997507992
Energy: 0.7880061508062355
Energy: 0.9252585997495714
Energy: 0.7220181586927082
Energy: 1.0255685297340658
Energy: 0.8083802994450785
Energy: 1.0255685297340658
Energy: 0.7238566782827034
Energy: 1.1388523228954652
Energy: 1.0479179546963193
Energy: 1.1388523228954652
Energy: 0.7062723085812075
Energy: 0.7332703776126694
Energy: 0.7353515040953594
Energy: 0.7332703776138971
Energy: 0.717346860643425
Energy: 0.9255650838651579
Energy: 1.051655069983289
Energy: 0.9255650838663856
Energy: 1.0146561007102155
Energy: 1.154748723246997
Energy: 0.8083065610369584
Energy: 1.154748723246997
Energy: 0.7166637049504655
Energy: 1.0691688790711367
Energy: 0.8073432202023558
Energy: 1.0691688790711367
Energy: 0.9646762856264329
Energy: 1.0276356119846641
Energy: 0.7172538737283415
Energy: 1.0276356119846641
Energy: 0.811336651156891
Energy: 1.1420501002249346
Energy: 0.709620291736939
Energy: 1.1420501002261623
Energy: 1.0493317790422696
Energy: 1.139975993581255
Energy: 0.7054625883867129
Energy: 1.139975993581255
Energy: 0.8406999567941834
Energy: 0.8600942253360935
Energy: 0.7056125007072777
Energy: 0.8600942253348658
Energy: 0.8411867244412559
Energy: 1.0276614019391905
Energy: 0.7159972854786238
Energy: 1.0276614019391905
Energy: 0.8115380074729145
Energy: 0.9537306068675259
Energy: 0.7217606625122
Energy: 0.9537306068650704
Energy: 0.8064016301494196
Energy: 1.1826134221531286
Energy: 0.7161927061659266
Energy: 1.1826134221519011
Energy: 0.716700522810341
Energy: 1.0287177245393437
Energy: 0.716510331082694
Energy: 1.0287177245393437
Energy: 0.7159698756923573
Energy: 1.1722544808731943
Energy: 0.8059572452682544
Energy: 1.1722544808731943

minimum gb energy = 0.7054625883867129 eV
minimum distance =  2.25879557154166 Angstroms
sigma value = 25


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

Energy: 0.7604017724053392
Energy: 1.0484591666695589
Energy: 0.6494528459134372
Energy: 1.0484591666695589
Energy: 1.2288313589863755
Energy: 0.9484613685202843
Energy: 0.6486200577396131
Energy: 0.9484613685231604
Energy: 0.7222104258419049
Energy: 0.7225241677585953
Energy: 0.8826932484118996
Energy: 0.7225241677585953
Energy: 0.8647468577223557
Energy: 0.8885767753531821
Energy: 0.6506739436008422
Energy: 0.8885767753522233
Energy: 0.6575036003178258
Energy: 0.9486180547204265
Energy: 0.6878921717581324
Energy: 0.9486180547204265
Energy: 0.7097647927152549
Energy: 0.9491242612752024
Energy: 0.6571109289447723
Energy: 0.9491242612752024
Energy: 0.6476143592999256
Energy: 0.7910959896245552
Energy: 0.9170069322820716
Energy: 0.7910959896235965
Energy: 0.6386689290154972
Energy: 0.8920418837710342
Energy: 0.7235321259436316
Energy: 0.8920418837710342
Energy: 0.6469619247828948
Energy: 0.9486463636783774
Energy: 1.0501041888922384
Energy: 0.9486463636774187
Energy: 0.6314848581726941
Energy: 0.9399840450867738
Energy: 0.6801562681058169
Energy: 0.9399840450858152
Energy: 0.6477313249184374
Energy: 0.7914120823775993
Energy: 0.9448056629862074
Energy: 0.7914120823775993
Energy: 0.8826139136773201
Energy: 0.9960901704165193
Energy: 0.7233313951373264
Energy: 0.9960901704165193
Energy: 0.6519236139493474
Energy: 0.888196389543551
Energy: 0.863918113747826
Energy: 0.8881963895445096
Energy: 0.8601246866469691
Energy: 1.0049897771190441
Energy: 0.6568257234730049
Energy: 1.0049897771209615
Energy: 0.6595651775362147
Energy: 0.8678695034636248
Energy: 0.7068882138946433
Energy: 0.8678695034636248
Energy: 0.9165885434800245
Energy: 1.1171194082252183
Energy: 0.6497135555209346
Energy: 1.1171194082252183
Energy: 0.7272709681833591
Energy: 0.8924434215145156
Energy: 0.7128480370566167
Energy: 0.8924434215145156
Energy: 0.882813210269092
Energy: 0.9505039596410175
Energy: 0.6457290833938896
Energy: 0.9505039596400587
Energy: 0.7643414467793473
Energy: 1.129441771751455
Energy: 0.6313594977783844
Energy: 1.129441771752414
Energy: 1.0871958564267625
Energy: 1.0877155585063873
Energy: 0.6492839889995367
Energy: 1.0877155585063873
Energy: 0.7272109468933059
Energy: 0.9990859777334989
Energy: 0.6380880997158255
Energy: 0.9990859777344576
Energy: 0.7235810669824742
Energy: 0.8882014527102287
Energy: 0.6557023038371298
Energy: 0.8882014527111872
Energy: 0.6596911048985508
Energy: 0.8265985429156465
Energy: 0.860070634220552
Energy: 0.8265985429156465
Energy: 0.7080763889608713
Energy: 1.1298583936972175
Energy: 0.6557994847333704
Energy: 1.1298583936972175
Energy: 0.6464497933980707
Energy: 1.1169713199406925
Energy: 0.9174328436604262
Energy: 1.116971319941651
Energy: 0.6355079558824253
Energy: 0.8929100691734191
Energy: 0.7283443635042304
Energy: 0.8929100691734191

minimum gb energy = 0.6313594977783844 eV
minimum distance =  2.29276765984488 Angstroms
sigma value = 41


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

Energy: 0.8307202819512428
Energy: 0.8321200478737272
Energy: 0.8884574878404186
Energy: 0.8321200478745131
Energy: 1.1378564426592646
Energy: 0.8258366433341743
Energy: 0.581712839323487
Energy: 0.8258366433341743
Energy: 0.5984593626870216
Energy: 0.8200903644961173
Energy: 1.1559398527146068
Energy: 0.820090364500833
Energy: 0.8220456983389455
Energy: 0.8258177709208714
Energy: 0.5816095406314715
Energy: 0.8258177709208714
Energy: 0.5780175326790511
Energy: 0.8430334221564262
Energy: 0.6150540183362279
Energy: 0.8430334221980461
Energy: 0.6988681153666433
Energy: 0.825517035643649
Energy: 0.5817107707523713
Energy: 0.8255170356428629
Energy: 0.5810835957133471
Energy: 0.8251425361349529
Energy: 0.7509449582323796
Energy: 0.8251425361349529
Energy: 0.5702453548381213
Energy: 0.7150897441177054
Energy: 0.578759439299826
Energy: 0.7150897441177054
Energy: 0.5841164057006586
Energy: 0.9709243297062579
Energy: 0.9606431216570366
Energy: 0.9709243297062579
Energy: 0.572208676987372
Energy: 0.820515658743501
Energy: 0.599305120645883
Energy: 0.8205156587427148
Energy: 0.581080591045997
Energy: 0.8273461613218832
Energy: 0.9808116394815909
Energy: 0.8273461613203114
Energy: 0.5732535321810897
Energy: 0.8333237629243104
Energy: 0.8314339345135481
Energy: 0.8333237629235244
Energy: 0.5838283456597516
Energy: 0.969457429365453
Energy: 0.9812231362565509
Energy: 0.969457429365453
Energy: 0.7858156789690977
Energy: 1.1001186849693165
Energy: 0.5992029771201866
Energy: 1.1001186849693165
Energy: 0.5810577851036786
Energy: 0.8264432834454974
Energy: 0.8222408676277789
Energy: 0.8264432834439256
Energy: 0.7656472404498612
Energy: 0.8603319782986978
Energy: 0.5786960379765622
Energy: 0.8603319783010557
Energy: 0.5837567419945916
Energy: 0.9694222713653409
Energy: 0.6987694993626525
Energy: 0.9694222713653409
Energy: 0.7496347164715728
Energy: 1.134927995809694
Energy: 0.5816748686847352
Energy: 1.13492799581048
Energy: 0.5810736151814005
Energy: 0.7159603347957588
Energy: 0.5706644112313667
Energy: 0.7159603347957588
Energy: 0.7459959301789949
Energy: 0.9190193528389436
Energy: 0.5861656971959294
Energy: 0.9190193528389436
Energy: 0.6013455177026938
Energy: 1.0442131563679948
Energy: 0.5723562636723698
Energy: 1.0442131563679948
Energy: 0.981484212620676
Energy: 1.0977976131785194
Energy: 0.5819477008390319
Energy: 1.0977976131777334
Energy: 0.8338473440689578
Energy: 0.8320957396004846
Energy: 0.57312154795558
Energy: 0.8320957396004846
Energy: 0.8335521445681516
Energy: 0.968157727448523
Energy: 0.5834781090571421
Energy: 0.968157727448523
Energy: 0.6014164646698632
Energy: 1.0443623218815192
Energy: 0.5785719386879781
Energy: 1.0443623218807334
Energy: 0.819818800901701
Energy: 1.0965826149070677
Energy: 0.5819105884901544
Energy: 1.0965826149070677
Energy: 0.5810947275362494
Energy: 0.8685585259800463
Energy: 0.7655326778369492
Energy: 0.8685585259784744
Energy: 0.578759248722095
Energy: 0.9689261471109754
Energy: 0.5836264680993132
Energy: 0.9689261471101895
Energy: 0.5840565467698615
Energy: 1.0595955400207704
Energy: 0.7501257151676548
Energy: 1.0595955400223425
Energy: 0.5711551189807814
Energy: 0.9957027638641535
Energy: 0.5844777364147478
Energy: 0.9957027638641535
Energy: 0.5859286854698802
Energy: 0.9182696228501028
Energy: 0.7457636788342599
Energy: 0.9182696228493167
Energy: 0.5740851969797321
Energy: 1.0434984063562667
Energy: 0.6047333670447406
Energy: 1.0434984063570527

minimum gb energy = 0.5702453548381213 eV
minimum distance =  2.26371937082649 Angstroms
sigma value = 15


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

Energy: 0.7541161382062632
Energy: 0.9840877905333288
Energy: 0.8304745459026446
Energy: 0.9840877905339946
Energy: 1.1156921415628007
Energy: 0.8679796217600964
Energy: 0.5442870426453449
Energy: 0.8679796217554356
Energy: 0.5617055681861205
Energy: 0.7428363627363639
Energy: 0.676727968427495
Energy: 0.7428363627390272
Energy: 1.0851431717411353
Energy: 0.8713901134866473
Energy: 0.5441382566719569
Energy: 0.8713901134859815
Energy: 0.5418726079188279
Energy: 1.046117359058514
Energy: 0.5619328306727793
Energy: 1.0461173590578479
Energy: 0.7338614705855317
Energy: 0.867518284873577
Energy: 0.5444223317971312
Energy: 0.8675182848749086
Energy: 0.5437554760128019
Energy: 0.7479768228556934
Energy: 0.6817467289782051
Energy: 0.7479768228536959
Energy: 0.6316030343939979
Energy: 0.7472959466485107
Energy: 0.5443110014782632
Energy: 0.7472959466485107
Energy: 0.545675753734
Energy: 0.9875644553510033
Energy: 0.8155867678815654
Energy: 0.9875644553523348
Energy: 0.525949172073443
Energy: 1.0326050230143797
Energy: 0.5424150580048333
Energy: 1.0326050230143797
Energy: 0.5438575033771829
Energy: 0.8636750956428304
Energy: 0.9267126694579172
Energy: 0.863675095644162
Energy: 0.5276541949698136
Energy: 0.7402407111959663
Energy: 0.5623855442584524
Energy: 0.740240711193969
Energy: 0.5456988973927753
Energy: 0.9896590896681975
Energy: 0.994140218914912
Energy: 0.9896590896688633
Energy: 0.5276914540232077
Energy: 0.9836619528390551
Energy: 0.7542999087172475
Energy: 0.9836619528383893
Energy: 0.5438008185724078
Energy: 0.8671805505058771
Energy: 1.013955146891578
Energy: 0.8671805505045455
Energy: 0.7107554428352237
Energy: 0.7417302249568367
Energy: 0.5621013316052259
Energy: 0.7417302249581683
Energy: 0.5454543132383176
Energy: 0.9892999636195728
Energy: 0.8717816963474122
Energy: 0.9892999636202386
Energy: 0.6945312969893035
Energy: 1.0447374380672128
Energy: 0.5424144905299514
Energy: 1.0447374380672128
Energy: 0.543810844602623
Energy: 0.8669008810656976
Energy: 0.733618589737439
Energy: 0.8669008810656976
Energy: 0.6801254407346203
Energy: 0.7651215531445996
Energy: 0.5442383595641853
Energy: 0.7651215531445996
Energy: 0.5454917236728711
Energy: 0.8832824046591365
Energy: 0.684531373125444
Energy: 0.8832824046578049
Energy: 0.6787953974452172
Energy: 0.9842083372190902
Energy: 0.5477458869399736
Energy: 0.984208337219756
Energy: 0.5438242144160329
Energy: 0.9421547643812115
Energy: 0.5255473257479348
Energy: 0.9421547643812115
Energy: 0.9223597078056762
Energy: 0.8634816933360756
Energy: 0.5443957391060726
Energy: 0.8634816933367413
Energy: 0.5636084217760153
Energy: 1.049039211187826
Energy: 0.5284588644035191
Energy: 1.049039211187826
Energy: 0.8961862470898484
Energy: 0.9862691552822468
Energy: 0.5476678110085941
Energy: 0.9862691552822468
Energy: 0.7559098978286308
Energy: 0.9774095661599019
Energy: 0.5278698989796811
Energy: 0.9774095661599019
Energy: 1.0129322713329014
Energy: 0.8677054065158003
Energy: 0.5441923699829656
Energy: 0.8677054065177978
Energy: 0.5634982822052694
Energy: 1.0589358228430232
Energy: 0.5316149259837346
Energy: 1.058935822843689
Energy: 0.7402516564201993
Energy: 0.9862584337820403
Energy: 0.5479852063928963
Energy: 0.9862584337827061
Energy: 0.5439200264511783
Energy: 1.0420879043050066
Energy: 0.7082879080758905
Energy: 1.0420879043056723
Energy: 0.7348317772676957
Energy: 0.8672186544991121
Energy: 0.5441733317080174
Energy: 0.8672186544997779
Energy: 0.5456698769679003
Energy: 1.0374400977812939
Energy: 0.6797865953026274
Energy: 1.0374400977812939
Energy: 0.5312971034715985
Energy: 0.8832094040799701
Energy: 0.548064934874976
Energy: 0.8832094040799701
Energy: 0.5402896920790327
Energy: 0.9834080740930365
Energy: 0.6787130779237963
Energy: 0.9834080740943683
Energy: 0.5255856434989898
Energy: 0.9401969988662296
Energy: 0.546047123519755
Energy: 0.9401969988668955
Energy: 0.54556160981246
Energy: 1.0024028740779058
Energy: 0.9196438246489229
Energy: 1.0024028740792377

minimum gb energy = 0.5255473257479348 eV
minimum distance =  2.31179644949613 Angstroms
sigma value = 85


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

Energy: 0.7646612279458542
Energy: 0.9626706771995742
Energy: 0.6753715280133513
Energy: 0.9626706771989968
Energy: 1.133148588419351
Energy: 0.8279546503394571
Energy: 0.4962940375909307
Energy: 0.8279546503388797
Energy: 0.7355530833924891
Energy: 0.7360711988214637
Energy: 0.6421734621234838
Energy: 0.7360711988214637
Energy: 1.1081696022405227
Energy: 0.8126550489257008
Energy: 0.49642681454078375
Energy: 0.8126550489245458
Energy: 0.5671473659334659
Energy: 0.7413236866317415
Energy: 0.5329424296868612
Energy: 0.741323686632319
Energy: 0.8332455438368933
Energy: 0.764409571033564
Energy: 0.49667987136119046
Energy: 0.7644095710341414
Energy: 0.5403710148418398
Energy: 0.692297128965497
Energy: 0.6516867872921305
Energy: 0.692297128965497
Energy: 0.7135864419397938
Energy: 0.8894092399963613
Energy: 0.5029906508404965
Energy: 0.8894092399975163
Energy: 0.5023388136228071
Energy: 0.6678554350442468
Energy: 0.7399723861435478
Energy: 0.6678554350436694
Energy: 0.6053741974037911
Energy: 0.6866736526371598
Energy: 0.5407027252123181
Energy: 0.6866736526371598
Energy: 0.49768310438035246
Energy: 0.8005311157821625
Energy: 0.8731774847428304
Energy: 0.8005311157833174
Energy: 0.5180108041522025
Energy: 0.9547171884549007
Energy: 0.5677401422717099
Energy: 0.9547171884549007
Energy: 0.4959002994851207
Energy: 0.6677801513604924
Energy: 0.9567200452666925
Energy: 0.667780151359915
Energy: 0.47605812243036466
Energy: 0.7363776689412117
Energy: 0.7361529531119044
Energy: 0.7363776689412117
Energy: 0.49774458034551583
Energy: 0.8123630004239155
Energy: 1.09135566104308
Energy: 0.812363000419296
Energy: 0.47248064005135537
Energy: 0.9427980039613608
Energy: 0.7074708043031908
Energy: 0.9427980039607832
Energy: 0.4958820998780368
Energy: 0.6684348640024133
Energy: 0.9833778074197526
Energy: 0.6684348640012584
Energy: 0.620763676347516
Energy: 0.73665462353967
Energy: 0.7361386595002061
Energy: 0.73665462353967
Energy: 0.49711626772480594
Energy: 0.8061165586338841
Energy: 0.936764873383177
Energy: 0.8061165586350391
Energy: 0.6080639864949325
Energy: 0.9857735029295264
Energy: 0.5677083200217053
Energy: 0.9857735029289488
Energy: 0.4970347665781171
Energy: 0.6349128480488662
Energy: 0.8882664775151182
Energy: 0.6349128480494437
Energy: 0.6510351671809641
Energy: 0.6987786840058698
Energy: 0.5406946214529604
Energy: 0.6987786840058698
Energy: 0.5036519175957276
Energy: 0.846445755782707
Energy: 0.7135747147339371
Energy: 0.8464457557832844
Energy: 0.6540571248661441
Energy: 0.9603395263859515
Energy: 0.5032459305193773
Energy: 0.9603395263876838
Energy: 0.5421481533585435
Energy: 0.6405415763881523
Energy: 0.6063571325904438
Energy: 0.6405415763887298
Energy: 0.873248732512093
Energy: 0.8001490832647223
Energy: 0.4972011829806396
Energy: 0.80014908326299
Energy: 0.5691819078842387
Energy: 0.8981930356599319
Energy: 0.5175948736986581
Energy: 0.8981930356593545
Energy: 0.8774934615537515
Energy: 0.9494175102879594
Energy: 0.49640855850322907
Energy: 0.9494175102885368
Energy: 0.7376532451735973
Energy: 0.7376949963885343
Energy: 0.5200439256474872
Energy: 0.7376949963891117
Energy: 1.0312172520940173
Energy: 0.8043552133739661
Energy: 0.49820130383941974
Energy: 0.8043552133733887
Energy: 0.7665986531973412
Energy: 0.9401097584814514
Energy: 0.4723813215298411
Energy: 0.9401097584820289
Energy: 0.9533026758706091
Energy: 0.9406403998631488
Energy: 0.4963467514346551
Energy: 0.9406403998804465
Energy: 0.7376807236814725
Energy: 0.7368589063751914
Energy: 0.47659410837011185
Energy: 0.7368589063763462
Energy: 0.936528475791961
Energy: 0.8042702788487359
Energy: 0.4982363248207564
Energy: 0.8042702788487359
Energy: 0.5692097805973831
Energy: 0.9640180048285709
Energy: 0.6079329609694033
Energy: 0.9640180048279933
Energy: 0.7243071759429179
Energy: 0.9034518658923533
Energy: 0.49840052347305697
Energy: 0.9034518658923533
Energy: 0.5420284512127755
Energy: 0.699692125806366
Energy: 0.6508531158692777
Energy: 0.6996921258057883
Energy: 0.7134300221345381
Energy: 0.8369529015550035
Energy: 0.5052788827331188
Energy: 0.8369529015555809
Energy: 0.5036308556057799
Energy: 0.9279465469922888
Energy: 0.6537711492627623
Energy: 0.9279465469928663
Energy: 0.522999655164493
Energy: 0.8399369727544616
Energy: 0.5435049674413814
Energy: 0.8399369727556164
Energy: 0.49613675829931925
Energy: 0.7540870556293553
Energy: 0.8736315350548218
Energy: 0.7540870556305104
Energy: 0.5181008616841583
Energy: 0.8883057117678185
Energy: 0.5711411035245176
Energy: 0.8883057117678185
Energy: 0.49702703101799106
Energy: 0.9061660700614803
Energy: 0.8770480929532659
Energy: 0.9061660700626353

minimum gb energy = 0.4723813215298411 eV
minimum distance =  2.3034343159374 Angstroms
sigma value = 113


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

Energy: 0.015499874000042784
Energy: 0.016166614732113293
Energy: 0.8071345335437633
Energy: 0.01616661473255722
Energy: 0.806406206612856
Energy: 0.25588572581838964
Energy: 0.25544469099455214
Energy: 0.25588572581838964
Energy: 0.015499874000462046
Energy: 0.016166614732113293
Energy: 0.8071255378350647
Energy: 0.01616661473255722
Energy: 0.806406206612856
Energy: 0.25588572581838964
Energy: 0.25544469099541534
Energy: 0.25588572581838964
Energy: 0.015499874000042784
Energy: 0.016166614732113293
Energy: 0.8071168636948596
Energy: 0.01616661473255722
Energy: 0.806406206612856
Energy: 0.25588572581883356
Energy: 0.25544469099455214
Energy: 0.25588572581883356

minimum gb energy = 0.015499874000042784 eV
minimum distance =  2.54253903094853 Angstroms
sigma value = 1