Model name: model_name=MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001
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=3.613315634429455
cohesive_energy=3.5402784386781683
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: 0.013704482854302149
Energy: 0.013882091115103298
Energy: 0.2540182783327928
Energy: 0.013882091114475496
Energy: 0.013882091114475496
Energy: 0.8241007141649586
Energy: 0.013882091114475496
Energy: 0.8241007141649586
Energy: 0.2540182783334206
Energy: 0.013882091114475496
Energy: 0.013704482853709225
Energy: 0.013882091115103298
Energy: 0.013882091114475496
Energy: 0.8241007141649586
Energy: 0.013882091114475496
Energy: 0.8241007141649586

minimum gb energy = 0.013704482853709225 eV
minimum distance =  2.46592519254004 Angstroms
sigma value = 1


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

Energy: 0.9843325279516368
Energy: 1.0149099606274832
Energy: 0.9172889434468767
Energy: 1.0149099606267218
Energy: 0.9502306682324652
Energy: 0.9921145418774959
Energy: 0.9358616147383366
Energy: 0.9921145418782574
Energy: 0.8745159271816118
Energy: 1.0036501810973557
Energy: 0.9379505432302759
Energy: 1.0036501810973557
Energy: 0.9255652475667341
Energy: 1.0180393020114324
Energy: 0.9079863347389787
Energy: 1.0180393020114324
Energy: 0.9253785248027793
Energy: 1.0156615651024794
Energy: 0.9160127220431254
Energy: 1.0156615651024794
Energy: 0.8922806568240552
Energy: 0.98930672636063
Energy: 0.8674268178425799
Energy: 0.9893067263636754
Energy: 0.9345848809334568
Energy: 1.0035275303692177
Energy: 0.8937709612473821
Energy: 1.0035275303684563
Energy: 0.8353276389127338
Energy: 1.0153129848072246
Energy: 0.8634147791407276
Energy: 1.0153129848072246
Energy: 0.9094976202051985
Energy: 0.9361561332544551
Energy: 0.9260628971458114
Energy: 0.9361561332536938
Energy: 0.864653388066789
Energy: 1.0032397540023843
Energy: 0.8271183735364532
Energy: 1.003239754003146
Energy: 0.931320870601975
Energy: 0.9922207472526392
Energy: 0.909672640536675
Energy: 0.9922207472526392
Energy: 0.8956262000961984
Energy: 1.0153173873834855
Energy: 0.8763345814852318
Energy: 1.0153173873834855
Energy: 0.9337984293250947
Energy: 1.003349992016827
Energy: 0.9529964337562813
Energy: 1.0033499920160656
Energy: 0.9352017513905726
Energy: 1.0017263888823202
Energy: 0.9001036161686259
Energy: 1.0017263888815588
Energy: 0.9421588766784796
Energy: 1.0156314207770418
Energy: 0.9324463005614586
Energy: 1.0156314207770418
Energy: 0.9456909395991898
Energy: 1.0153741597068833
Energy: 0.9327591349012204
Energy: 1.0153741597076447
Energy: 0.9380952992919107
Energy: 1.0036495915177426
Energy: 0.8667741130673979
Energy: 1.0036495915177426
Energy: 0.9360799783734074
Energy: 1.0037795679343813
Energy: 0.9506700142918294
Energy: 1.0037795679343813
Energy: 0.8361804563701041
Energy: 1.015166228491682
Energy: 0.8788508341300187
Energy: 1.0151662284909204
Energy: 0.9360293223861206
Energy: 0.9350022916617319
Energy: 0.9095296011627017
Energy: 0.9350022916609705
Energy: 0.8649562903986922
Energy: 1.0033677881837697
Energy: 0.8257441522553739
Energy: 1.0033677881837697
Energy: 0.9081916244005465
Energy: 0.999490817540977
Energy: 0.9406121992330063
Energy: 0.999490817540977
Energy: 0.9226822130969896
Energy: 1.015709391547782
Energy: 0.8800252834003194
Energy: 1.015709391547782
Energy: 0.9109284633207622
Energy: 1.0044421028683241
Energy: 0.892412014494322
Energy: 1.0044421028683241
Energy: 0.8938113367788315
Energy: 0.9870278248417345
Energy: 0.9528280966772789
Energy: 0.9870278248485871
Energy: 0.9266908632933593
Energy: 1.0153240783613422
Energy: 0.8805019487051409
Energy: 1.0153240783613422
Energy: 0.9256469275771604
Energy: 1.1629250576183734
Energy: 0.9089808949296768
Energy: 1.1629250576168508
Energy: 0.8758596354773466
Energy: 1.0033990358960583
Energy: 0.9417476253980085
Energy: 1.0033990358960583
Energy: 0.9340675485680728
Energy: 0.9992429969452395
Energy: 0.9327377314094801
Energy: 0.999242996944478
Energy: 0.9563718080779329
Energy: 1.0148008025367692
Energy: 0.8959585299287167
Energy: 1.0148008025367692
Energy: 0.9530177118337068
Energy: 1.002583120890191
Energy: 0.9336212679554754
Energy: 1.002583120890191
Energy: 0.9023880223892911
Energy: 1.0039300952640509
Energy: 0.9350799187151666
Energy: 1.0039300952640509
Energy: 0.9252321228797816
Energy: 1.0160364158093709
Energy: 0.9091402646590785
Energy: 1.0160364158108937

minimum gb energy = 0.8257441522553739 eV
minimum distance =  2.30752205788887 Angstroms
sigma value = 1


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

Energy: 1.0188221723708994
Energy: 1.049272392004473
Energy: 0.9762478024806224
Energy: 1.049272392004473
Energy: 0.9716726727318449
Energy: 1.0478362240852264
Energy: 0.9767081347410609
Energy: 1.0478362240852264
Energy: 0.9238064685195456
Energy: 1.062006115477485
Energy: 0.976042170917249
Energy: 1.0620061154766165
Energy: 0.9156970260884526
Energy: 0.9831930530731092
Energy: 0.9305812535478766
Energy: 0.9831930530696369
Energy: 0.9154012554318831
Energy: 1.0468558759423563
Energy: 0.9033832584959977
Energy: 1.0468558759440925
Energy: 0.9678160133159515
Energy: 1.0465614889416743
Energy: 0.9339658204306419
Energy: 1.0465614889425423
Energy: 0.916636467062401
Energy: 0.9612219505691223
Energy: 0.9306022885050703
Energy: 0.9612219470062195
Energy: 0.8663119744621901
Energy: 1.0612255585251276
Energy: 0.9091895055912523
Energy: 1.0612255585251276
Energy: 0.9240368554480426
Energy: 0.9923208718337456
Energy: 0.9770490401049761
Energy: 0.9923208718346137
Energy: 0.9191807456061304
Energy: 1.0608177009649542
Energy: 0.8679355480685973
Energy: 1.0608177009649542
Energy: 0.9165739341905521
Energy: 1.0103443764009556
Energy: 0.9769776130027193
Energy: 1.0103443764009556
Energy: 0.8963414213419945
Energy: 1.0626436858251314
Energy: 0.9804040448340033
Energy: 1.0626436858259993
Energy: 0.9970281672088109
Energy: 1.0467250095845675
Energy: 0.9407134036114524
Energy: 1.0467250095845675
Energy: 0.997416068992604
Energy: 1.0467096174056894
Energy: 0.9078321341974717
Energy: 1.0467096174039534
Energy: 0.8962076262174432
Energy: 1.0627519818976026
Energy: 0.9949072887985034
Energy: 1.0627519818993385
Energy: 0.9168826205894058
Energy: 1.0101641851875538
Energy: 0.9770065464885713
Energy: 1.0101641851892902
Energy: 0.919139957470128
Energy: 1.0610627334552865
Energy: 0.8800653107566373
Energy: 1.0610627334544185
Energy: 0.9240148479671046
Energy: 0.9920351036642591
Energy: 0.9773003507991163
Energy: 0.9920351036651271
Energy: 0.866334658719434
Energy: 1.0612959328663552
Energy: 0.9093890769047948
Energy: 1.0612959328672236
Energy: 0.9165668328365855
Energy: 0.9609123454543965
Energy: 0.9294515777848797
Energy: 0.9609123454552645
Energy: 0.9674092578029434
Energy: 1.0465760644306703
Energy: 0.9032433637924451
Energy: 1.046576064428934
Energy: 0.9153403915315356
Energy: 1.0467347148273052
Energy: 0.9510351240719082
Energy: 1.0467347148273052
Energy: 0.9152358107682381
Energy: 0.983282191521784
Energy: 0.9306852414868181
Energy: 0.9832821915226522
Energy: 0.9237308736807179
Energy: 1.061834424638827
Energy: 0.9951775268209425
Energy: 1.0618344246379587
Energy: 0.9716566172611737
Energy: 1.047552275451368
Energy: 0.9766244648114099
Energy: 1.0475522754531044
Energy: 1.0188221723700315
Energy: 1.0492723920053408
Energy: 0.9387996782713012
Energy: 1.0492723920053408
Energy: 0.9716726727318449
Energy: 1.0478362240852264
Energy: 0.9767081347410609
Energy: 1.0478362240852264
Energy: 0.9238064685195456
Energy: 1.062006115477485
Energy: 0.960664328991409
Energy: 1.062006115477485
Energy: 0.9156970260901889
Energy: 0.9831930530679006
Energy: 0.9207875369696216
Energy: 0.9831930530635601

minimum gb energy = 0.8663119744621901 eV
minimum distance =  2.25717110663494 Angstroms
sigma value = 25


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

Energy: 1.002571892644171
Energy: 1.124855330731913
Energy: 1.0464136173246317
Energy: 1.124855330732922
Energy: 0.9756662382568987
Energy: 1.0614827149308013
Energy: 0.9741874949585293
Energy: 1.0614827149308013
Energy: 0.9470175297780591
Energy: 1.1506208810908956
Energy: 0.9748718682014924
Energy: 1.1506208810908956
Energy: 0.968638556901248
Energy: 1.0754829447088217
Energy: 0.9615504066049169
Energy: 1.075482944709831
Energy: 0.958753122369163
Energy: 1.125168996238396
Energy: 0.9659095550797626
Energy: 1.1251689962394051
Energy: 1.0368243385788876
Energy: 1.1499675822949769
Energy: 1.1943935699840604
Energy: 1.1499675822949769
Energy: 0.975380165580006
Energy: 0.9818840717073964
Energy: 0.9880990231034278
Energy: 0.9818840717073964
Energy: 1.063317039119965
Energy: 1.1251847827926598
Energy: 0.9288993644182231
Energy: 1.1251847827926598
Energy: 0.988151091856178
Energy: 1.0614689006925282
Energy: 0.9739215906844547
Energy: 1.0614689006925282
Energy: 0.9747256937610642
Energy: 1.1506817897290618
Energy: 0.9452725475304147
Energy: 1.1506817897290618
Energy: 0.9664025497918249
Energy: 1.1248750598593737
Energy: 0.9743759782321476
Energy: 1.124875059860383
Energy: 0.9615604927723139
Energy: 1.1249117502516945
Energy: 0.9738629887413592
Energy: 1.1249117502516945
Energy: 0.9747623065508729
Energy: 1.0785633733902753
Energy: 0.9456212269986626
Energy: 1.0785633733912845
Energy: 0.9892422676057147
Energy: 0.9750309794259346
Energy: 0.9751905811775213
Energy: 0.9750309794259346
Energy: 0.9048302434252788
Energy: 1.1255663872497736
Energy: 0.9267834653380952
Energy: 1.1255663872497736
Energy: 0.9743899783332796
Energy: 0.9835332800360532
Energy: 0.9599874365013215
Energy: 0.9835332800360532
Energy: 0.9083342186621817
Energy: 1.1508953870593754
Energy: 0.9082904584822481
Energy: 1.1508953870593754
Energy: 0.9611410299958334
Energy: 1.1268719480274187
Energy: 0.9662095113027591
Energy: 1.1268719480274187
Energy: 0.9655124440131201
Energy: 1.0711247517580815
Energy: 0.9587401886658038
Energy: 1.0711247517580815
Energy: 0.959435522861369
Energy: 1.15021911789641
Energy: 0.973565930995473
Energy: 1.15021911789641
Energy: 0.9898858438616019
Energy: 1.0608189336906322
Energy: 0.9737571499112593
Energy: 1.0608189336916412
Energy: 1.000662898930172
Energy: 1.1248720522200912
Energy: 1.0163788764391466
Energy: 1.1248720522200912
Energy: 0.9739906963708596
Energy: 1.0733182702072157
Energy: 0.9741467123531103
Energy: 1.0733182702072157
Energy: 0.9092856761260437
Energy: 1.1504803751719896
Energy: 0.9747430524285221
Energy: 1.1504803751729988
Energy: 0.9747732408007812
Energy: 1.0870065247808114
Energy: 0.9597733716848765
Energy: 1.0870065247808114

minimum gb energy = 0.9048302434252788 eV
minimum distance =  2.27383712333934 Angstroms
sigma value = 9


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

Energy: 1.0576572040567036
Energy: 1.0568912660328051
Energy: 1.1267720723652
Energy: 1.0568912660340088
Energy: 1.0361690349240158
Energy: 1.1445344155908286
Energy: 1.0561035183324379
Energy: 1.144534415592032
Energy: 0.9579456064548665
Energy: 1.0504494128745945
Energy: 1.0362003794786232
Energy: 1.0504494128745945
Energy: 1.0513167441783526
Energy: 1.151998236153843
Energy: 0.9836041100387156
Energy: 1.151998236155047
Energy: 1.1295582780743951
Energy: 1.1305802328911003
Energy: 1.0241081024711371
Energy: 1.1305802328898964
Energy: 0.9461308407845953
Energy: 1.0505802940730031
Energy: 0.9840263334672217
Energy: 1.0505802940742068
Energy: 1.0642521583384383
Energy: 0.9840994736852149
Energy: 0.9851742989586222
Energy: 0.9840994736840112
Energy: 1.044397930460933
Energy: 1.0502205966504627
Energy: 0.9749667878463703
Energy: 1.0502205966492588
Energy: 1.0501279030496455
Energy: 1.1438843643286163
Energy: 1.0369810162715074
Energy: 1.1438843643286163
Energy: 1.0516314046056374
Energy: 1.0500168688825973
Energy: 0.983719069886606
Energy: 1.0500168688825973
Energy: 1.0027407835677153
Energy: 1.1289713946349946
Energy: 1.035996589956119
Energy: 1.1289713946349946
Energy: 1.0509305146672485
Energy: 1.1137184464037595
Energy: 0.9836164734986215
Energy: 1.1137184464037595
Energy: 0.9460529750466896
Energy: 1.0571792261876356
Energy: 0.9724345070478249
Energy: 1.0571792261876356
Energy: 1.038384235230104
Energy: 1.0500036121803176
Energy: 1.0500173128832702
Energy: 1.0500036121791139
Energy: 0.9460566271371774
Energy: 1.0571140672675154
Energy: 0.9930838179272812
Energy: 1.0571140672675154
Energy: 1.0508858996129586
Energy: 1.113749446507985
Energy: 0.9834020123185828
Energy: 1.1137494465091886
Energy: 1.0029929206399324
Energy: 1.1289574116360348
Energy: 1.0012674780543698
Energy: 1.1289574116360348
Energy: 1.051513891282239
Energy: 1.0508655137280114
Energy: 0.9835213170290625
Energy: 1.0508655137280114
Energy: 1.0694582097389638
Energy: 1.1436560957267357
Energy: 1.001400105359952
Energy: 1.1436560957279396
Energy: 1.0443773842052786
Energy: 1.0499875859046877
Energy: 0.9749924549947425
Energy: 1.0499875859058916
Energy: 1.064052967909755
Energy: 0.984004644667984
Energy: 0.9851530264820758
Energy: 0.984004644667984

minimum gb energy = 0.9460529750466896 eV
minimum distance =  2.36837417657821 Angstroms
sigma value = 25


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

Energy: 1.0172245266125113
Energy: 1.152078491547958
Energy: 1.235130644392623
Energy: 1.152078491546469
Energy: 0.9973757202139137
Energy: 1.1582389438510974
Energy: 0.9808611659748893
Energy: 1.1582389438510974
Energy: 0.9818235153660492
Energy: 1.1878606006361012
Energy: 0.9805543032539356
Energy: 1.1878606006286572
Energy: 1.015023775018148
Energy: 1.0663294558226788
Energy: 1.1128853629839892
Energy: 1.0663294557646152
Energy: 1.1143227417921886
Energy: 0.9970281968603971
Energy: 0.9812507073420205
Energy: 0.9970281968603971
Energy: 0.9854349175866012
Energy: 1.1717124863362514
Energy: 0.9843832683308472
Energy: 1.1717124863362514
Energy: 0.9814257731987093
Energy: 1.0659134507360462
Energy: 0.9810263714959614
Energy: 1.0659134507360462
Energy: 1.1127411231736757
Energy: 1.1162272891153617
Energy: 1.0142286760562553
Energy: 1.1162272891153617
Energy: 0.9806523035453206
Energy: 1.1582124429012783
Energy: 0.9981923333748917
Energy: 1.1582124429012783
Energy: 1.1609842879071282
Energy: 1.0959859519044397
Energy: 0.9819665398103852
Energy: 1.0959859519059287
Energy: 0.9812153268080954
Energy: 1.0668878977895957
Energy: 1.2370507375029434
Energy: 1.0668878978327372
Energy: 0.9810466088850591
Energy: 1.028837195275216
Energy: 1.1626947295611973
Energy: 1.028837195275216
Energy: 1.1126652416825715
Energy: 1.0964960128309194
Energy: 0.9811169908698175
Energy: 1.0964960128234755
Energy: 0.9809163967308103
Energy: 1.0670267203275214
Energy: 1.0148016213601112
Energy: 1.0670267203275214
Energy: 0.9809282910337642
Energy: 1.1675080403384315
Energy: 1.1142753500968832
Energy: 1.1675080403384315
Energy: 0.9971543992693518
Energy: 1.0965474172537992
Energy: 0.985333242092189
Energy: 1.0965474180946022
Energy: 0.980941775875779
Energy: 1.0875083073960725
Energy: 1.162210969914293
Energy: 1.0875083073945837

minimum gb energy = 0.9805543032539356 eV
minimum distance =  2.34225372604203 Angstroms
sigma value = 17


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

Energy: 1.1240997738345646
Energy: 1.1222572178286965
Energy: 1.3252352837037449
Energy: 1.1222572178295396
Energy: 1.161940482402765
Energy: 1.090773956910357
Energy: 1.0106700594934699
Energy: 1.0907739569095136
Energy: 1.122715339472545
Energy: 1.1154512775621817
Energy: 1.0099952521539304
Energy: 1.1154512775630248
Energy: 1.0123932762042471
Energy: 1.1190231706524858
Energy: 1.0892272233767006
Energy: 1.1190231706600744
Energy: 1.158932895209467
Energy: 1.138802451480524
Energy: 1.059423116272182
Energy: 1.1388024514822102
Energy: 1.0279261734452152
Energy: 1.11359368672428
Energy: 1.112618038335661
Energy: 1.1135936867259661
Energy: 1.015688521814467
Energy: 1.139608206701677
Energy: 1.0104457724028593
Energy: 1.139608206701677
Energy: 1.1135352936070178
Energy: 1.0554659373119628
Energy: 1.0235683148425394
Energy: 1.055465937312806
Energy: 1.0300039079809276
Energy: 1.1773932089304244
Energy: 1.1727973721722929
Energy: 1.1773932089304244
Energy: 1.2473566245944985
Energy: 1.0968970052376432
Energy: 1.0104121854358332
Energy: 1.0968970052393296
Energy: 1.015893640850893
Energy: 1.1172864005083007
Energy: 1.1266634688595631
Energy: 1.1172864005083007
Energy: 1.0247200962141223
Energy: 1.1364633213171869
Energy: 1.0242378495262119
Energy: 1.1364633213171869
Energy: 1.1581955604964969
Energy: 1.1189283022275545
Energy: 1.119033712454718
Energy: 1.1189283022283978
Energy: 1.0100527262069305
Energy: 1.1921473181355227
Energy: 1.1356527874828917
Energy: 1.1921473181355227
Energy: 1.1063833256499134
Energy: 1.1325878310988298
Energy: 1.025566162603645
Energy: 1.1325878310971436
Energy: 1.121867324561025
Energy: 1.2195278222453916
Energy: 1.1139196257112671
Energy: 1.2195278222445485
Energy: 1.0111343723191104
Energy: 1.1742211019869955
Energy: 1.2516550773402195
Energy: 1.1742211019869955
Energy: 1.1364695788533161
Energy: 1.111604822242173
Energy: 1.027911344827961
Energy: 1.1116048222430164
Energy: 1.0107548908671522
Energy: 1.1828219486642841
Energy: 1.0983057405131251
Energy: 1.1828219486642841
Energy: 1.0105227184690968
Energy: 1.1182164690279635
Energy: 1.0129078719386906
Energy: 1.1182164690288068
Energy: 1.062457395868738
Energy: 1.113094563799298
Energy: 1.1223568252510367
Energy: 1.1130945638026322
Energy: 1.0112439217820808
Energy: 1.2697709530887498
Energy: 1.2249793089540466
Energy: 1.2697709530887498
Energy: 1.1751656012115983
Energy: 1.1221624255974936
Energy: 1.010887927305477
Energy: 1.1221624255974936
Energy: 1.0239434622507504
Energy: 1.1332892293936128
Energy: 1.1538694575439017
Energy: 1.1332892293952992
Energy: 1.1158075179185483
Energy: 1.1137474757867531
Energy: 1.152949440924183
Energy: 1.1137474757867531
Energy: 1.156879070939198
Energy: 1.1179654402052568
Energy: 1.0120649043112944
Energy: 1.1179654402052568
Energy: 1.039316065663295
Energy: 1.1631682059891295
Energy: 1.2798216795798791
Energy: 1.1631682059882864
Energy: 1.1122337662979036
Energy: 1.1140881589876042
Energy: 1.1236936408477527
Energy: 1.1140881589884475
Energy: 1.211759971008406
Energy: 1.2003690357389434
Energy: 1.0154337736322425
Energy: 1.2003690357389434
Energy: 1.0236117747827087
Energy: 1.1807419867414104
Energy: 1.1379414312476
Energy: 1.1807419867414104

minimum gb energy = 1.0099952521539304 eV
minimum distance =  2.2673137369216 Angstroms
sigma value = 53


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

Energy: 0.9838173183809736
Energy: 0.9822602672006293
Energy: 1.3806552631083484
Energy: 0.9822602672006293
Energy: 1.1996635605047372
Energy: 1.0715993301852766
Energy: 1.0172612898553826
Energy: 1.0715993301852766
Energy: 0.9848092466833267
Energy: 0.9821508241477341
Energy: 0.9876303625283344
Energy: 0.9821508241477341
Energy: 0.9844983734062521
Energy: 0.9820613290296563
Energy: 0.9875521015441965
Energy: 0.9820613290315975
Energy: 1.2001339739220838
Energy: 1.0725575105721161
Energy: 1.017256678989663
Energy: 1.0725575105721161
Energy: 0.9838173183809736
Energy: 0.9822602672006293
Energy: 1.2460841832974994
Energy: 0.9822602672006293
Energy: 1.1996635605047372
Energy: 1.0715993301852766
Energy: 1.0172612898553826
Energy: 1.0715993301872178
Energy: 0.9848092466813856
Energy: 0.9821508241477341
Energy: 0.9876303625283344
Energy: 0.9821508241477341
Energy: 0.9844983734062521
Energy: 0.9820613290315975
Energy: 1.0697802631515483
Energy: 0.9820613290315975
Energy: 1.2001339739220838
Energy: 1.0725575105721161
Energy: 1.017256678989663
Energy: 1.0725575105721161
Energy: 0.9838173183809736
Energy: 0.9822602672006293
Energy: 1.1548566212878362
Energy: 0.9822602672006293
Energy: 1.1996635605066786
Energy: 1.0715993301852766
Energy: 1.0693322392995477
Energy: 1.0715993301852766
Energy: 0.9848092466813856
Energy: 0.9821508241477341
Energy: 0.9876303625283344
Energy: 0.9821508241477341

minimum gb energy = 0.9820613290296563 eV
minimum distance =  2.32339474819272 Angstroms
sigma value = 9


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

Energy: 1.0953961536072327
Energy: 1.2253365193136179
Energy: 1.4794510410010453
Energy: 1.225336519314336
Energy: 1.2020901600580653
Energy: 1.1420213999915183
Energy: 1.0872242681820856
Energy: 1.1420213999922366
Energy: 1.0637202981936758
Energy: 1.0804460093302775
Energy: 1.0784133365686266
Energy: 1.0804460093317143
Energy: 1.162881883025521
Energy: 1.2816621510180406
Energy: 1.070648008630585
Energy: 1.281662151017322
Energy: 1.2681562938344175
Energy: 1.1488587858206398
Energy: 1.0854937118490362
Energy: 1.1488587858206398
Energy: 1.0813166959806102
Energy: 1.0805883133578125
Energy: 1.1689560854752727
Energy: 1.0805883133578125
Energy: 1.3740413347422726
Energy: 1.1445644447534942
Energy: 1.0960558619493381
Energy: 1.1445644447534942
Energy: 1.0733007648784931
Energy: 1.2890980649646238
Energy: 1.1791644039274745
Energy: 1.2890980649653423
Energy: 1.0664372980260626
Energy: 1.29163849382727
Energy: 1.0855127503940847
Energy: 1.29163849382727
Energy: 1.0645122945577847
Energy: 1.1385947487479973
Energy: 1.0778014078729619
Energy: 1.1385947487479973
Energy: 1.0750594833817064
Energy: 1.280743773271745
Energy: 1.360925435062055
Energy: 1.2807437732681528
Energy: 1.1947745644495917
Energy: 1.3383370354104724
Energy: 1.069336901479043
Energy: 1.3383370354104724
Energy: 1.0659120976993839
Energy: 1.1571463738773942
Energy: 1.2824744079920742
Energy: 1.1571463738781125
Energy: 1.1675399115597849
Energy: 1.225229337741952
Energy: 1.1012070006435832
Energy: 1.225229337740515
Energy: 1.0755410817542825
Energy: 1.2122869816641932
Energy: 1.1773644110966108
Energy: 1.2122869816649118
Energy: 1.0694041636458018
Energy: 1.290682107024469
Energy: 1.1628656683601817
Energy: 1.290682107024469
Energy: 1.1311988826331036
Energy: 1.2127302008948622
Energy: 1.0755645489364136
Energy: 1.2127302008941436
Energy: 1.0782612470117188
Energy: 1.1451170843583651
Energy: 1.198484592870841
Energy: 1.1451170843583651
Energy: 1.195994839161954
Energy: 1.1592353626947771
Energy: 1.0835117829503145
Energy: 1.1592353626969325
Energy: 1.0694299270923218
Energy: 1.152041871088476
Energy: 1.1445386371441577
Energy: 1.1520418710848839
Energy: 1.1620288435779478
Energy: 1.2806772962865165
Energy: 1.1649829437754802
Energy: 1.2806772962865165
Energy: 1.1516048925628122
Energy: 1.1971889982606208
Energy: 1.0646179837511698
Energy: 1.1971889982613393
Energy: 1.0887935129129582
Energy: 1.2207308067464602
Energy: 1.0661122205159903
Energy: 1.2207308067457416
Energy: 1.3757969504784986
Energy: 1.2271733735889883
Energy: 1.0726657222383091
Energy: 1.2271733735882697
Energy: 1.0950856041396648
Energy: 1.3348584764410747
Energy: 1.2941154340757748
Energy: 1.3348584764403562
Energy: 1.1109539592784876
Energy: 1.08053449630456
Energy: 1.0644798175114853
Energy: 1.0805344963052785
Energy: 1.1736352090016628
Energy: 1.2161740630742996
Energy: 1.1621546417241058
Energy: 1.2161740630728626
Energy: 1.1175957651536454
Energy: 1.282675577855016
Energy: 1.1628336210562848
Energy: 1.2826755778557342
Energy: 1.1241687000346436
Energy: 1.0801700749350795
Energy: 1.0633390934146656
Energy: 1.0801700749343612
Energy: 1.08768427725891
Energy: 1.3361513185850291
Energy: 1.3378990322465345
Energy: 1.3361513185857472
Energy: 1.3481173967379037
Energy: 1.2248566677448942
Energy: 1.0718523028267481
Energy: 1.2248566677448942
Energy: 1.1027541829385115
Energy: 1.146496355687283
Energy: 1.0644972623399873
Energy: 1.146496355687283
Energy: 1.087587784292314
Energy: 1.2185475704473228
Energy: 1.0636450030735147
Energy: 1.2185475704480413
Energy: 1.1621648930885284
Energy: 1.282564340912671
Energy: 1.1630386298028283
Energy: 1.2825643409119527
Energy: 1.0781111412487803
Energy: 1.2534927320592413
Energy: 1.3847814818204287
Energy: 1.2534927320592413

minimum gb energy = 1.0633390934146656 eV
minimum distance =  2.26694846391645 Angstroms
sigma value = 73


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

Energy: 1.1689810413760349
Energy: 1.1663663360243732
Energy: 1.5047839306200947
Energy: 1.1663663360243732
Energy: 1.1613356769624164
Energy: 1.2072724708265954
Energy: 1.1056256330463747
Energy: 1.2072724708254556
Energy: 1.0888193167272255
Energy: 1.1705269203163597
Energy: 1.1002690199744314
Energy: 1.1705269203163597
Energy: 1.0707108802056498
Energy: 1.257908527551409
Energy: 1.1004353523825574
Energy: 1.2579085275525488
Energy: 1.1315630965289214
Energy: 1.1949785796837853
Energy: 1.1436861356768246
Energy: 1.1949785796837853
Energy: 1.1013194495242309
Energy: 1.1221579491475575
Energy: 1.2607402623749946
Energy: 1.1221579491475575
Energy: 1.3801766357802228
Energy: 1.254052743599622
Energy: 1.087151263776214
Energy: 1.254052743600762
Energy: 1.08004346974288
Energy: 1.0950853965835508
Energy: 1.2912304092247653
Energy: 1.0950853965835508
Energy: 1.336706166158274
Energy: 1.0960621638068473
Energy: 1.0946108939396986
Energy: 1.0960621638057075
Energy: 1.0885298684478069
Energy: 1.1810798463106327
Energy: 1.0885818242003362
Energy: 1.1810798463106327
Energy: 1.0774718524797835
Energy: 1.0961437243408774
Energy: 1.2692201617590027
Energy: 1.0961437243397374
Energy: 1.2163744472665696
Energy: 1.2604242813883328
Energy: 1.0707106374289193
Energy: 1.2604242813871929
Energy: 1.1005903364207195
Energy: 1.1808544853070915
Energy: 1.2870294975864607
Energy: 1.1808544853070915
Energy: 1.2854824025701095
Energy: 1.2477314657806622
Energy: 1.1033186818322283
Energy: 1.247731465781802
Energy: 1.0691221981014307
Energy: 1.2670203047019784
Energy: 1.2713763885199096
Energy: 1.2670203047019784
Energy: 1.2715953480462001
Energy: 1.0958829058039825
Energy: 1.0804595597893578
Energy: 1.0958829058051225
Energy: 1.1757111216333844
Energy: 1.1734341070373175
Energy: 1.0889379215593662
Energy: 1.1734341070373175
Energy: 1.1657317021453877
Energy: 1.1652481240148762
Energy: 1.089218988055301
Energy: 1.1652481240148762
Energy: 1.2097437350275815
Energy: 1.0951954574886285
Energy: 1.0783491678616073
Energy: 1.0951954574886285
Energy: 1.1059007500428193
Energy: 1.190827773896279
Energy: 1.3454573359435582
Energy: 1.190827773896279
Energy: 1.2617676110648761
Energy: 1.1576040691530705
Energy: 1.1024695270078375
Energy: 1.1576040691530705
Energy: 1.1005302017522425
Energy: 1.1998552289730884
Energy: 1.215383553767152
Energy: 1.1998552289742284

minimum gb energy = 1.0691221981014307 eV
minimum distance =  2.28697376271252 Angstroms
sigma value = 7


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

Energy: 1.1813339228189812
Energy: 1.1813257139322713
Energy: 1.5369998141376502
Energy: 1.1813257139314652
Energy: 1.3171882579384204
Energy: 1.193911531438479
Energy: 1.1197534173398918
Energy: 1.193911531438479
Energy: 1.098038732340513
Energy: 1.129499267809613
Energy: 1.1236034270711015
Energy: 1.1294992678088072
Energy: 1.1205051257562606
Energy: 1.2497383501087684
Energy: 1.1204203140272044
Energy: 1.2497383501095745
Energy: 1.1093561735143957
Energy: 1.1895413632051521
Energy: 1.1780535931595766
Energy: 1.1895413632067642
Energy: 1.1106282231519855
Energy: 1.1303095722789789
Energy: 1.2775830476212646
Energy: 1.1303095722781726
Energy: 1.3810972491505398
Energy: 1.2316780034961585
Energy: 1.1257148478443681
Energy: 1.2316780034961585
Energy: 1.110484201899557
Energy: 1.1304164984156704
Energy: 1.3298351565326787
Energy: 1.1304164984148644
Energy: 1.2480394528065653
Energy: 1.243396751133467
Energy: 1.1266116581343397
Energy: 1.2433967511350423
Energy: 1.1092501121779876
Energy: 1.2121795920625598
Energy: 1.2732811932619392
Energy: 1.2121795920633658
Energy: 1.113113644904081
Energy: 1.287724513019364
Energy: 1.124229798350098
Energy: 1.287724513019364
Energy: 1.144438874136702
Energy: 1.1692210689990157
Energy: 1.122470478896573
Energy: 1.1692210689998217
Energy: 1.1288065899795274
Energy: 1.2478062520548723
Energy: 1.125469769358274
Energy: 1.2478062520540663
Energy: 1.1425971249313274
Energy: 1.1208750668794842
Energy: 1.120738147241603
Energy: 1.1208750668794842
Energy: 1.1069592516012805
Energy: 1.3017412642479216
Energy: 1.4118227431670425
Energy: 1.301741264245504
Energy: 1.2899497690700712
Energy: 1.1702617918494194
Energy: 1.1229518676929156
Energy: 1.170261791850225
Energy: 1.106936222784151
Energy: 1.2033433044172577
Energy: 1.1877455229971394
Energy: 1.2033433044180635
Energy: 1.1398123615314968
Energy: 1.1460296269940247
Energy: 1.1223322464582073
Energy: 1.1460296269932189
Energy: 1.106380962452325
Energy: 1.1302251461947674
Energy: 1.1258116629043593
Energy: 1.1302251461947674
Energy: 1.1180506479710095
Energy: 1.2011098987691518
Energy: 1.1753318911858426
Energy: 1.201109898769958
Energy: 1.1174630502595617
Energy: 1.2882579889734618
Energy: 1.1267016893566857
Energy: 1.2882579889734618
Energy: 1.102005793512331
Energy: 1.1298089301540817
Energy: 1.3609530974020838
Energy: 1.1298089301532754
Energy: 1.347993045090626
Energy: 1.2152722167868948
Energy: 1.1240193985953897
Energy: 1.2152722167868948
Energy: 1.1836063660940188
Energy: 1.180639428056171
Energy: 1.3190663727297645
Energy: 1.1806394280553651
Energy: 1.1890001063766344
Energy: 1.1896675422046625
Energy: 1.1259140880806766
Energy: 1.1896675422038567
Energy: 1.116601821239008
Energy: 1.2872274111550899
Energy: 1.1414351590648437
Energy: 1.287227411157508
Energy: 1.0982219824013943
Energy: 1.2537014457768818
Energy: 1.2247991497298112
Energy: 1.253701445777688
Energy: 1.1680470239619236
Energy: 1.2004077813357463
Energy: 1.1395108204851914
Energy: 1.2004077813357463
Energy: 1.1066631137146308
Energy: 1.1301093208082824
Energy: 1.214854193881833
Energy: 1.1301093208107007
Energy: 1.3933026813508322
Energy: 1.1375420439527135
Energy: 1.119665641441777
Energy: 1.1375420439519077
Energy: 1.1066494649949454
Energy: 1.1306445559577938
Energy: 1.1448254006576943
Energy: 1.1306445559585996

minimum gb energy = 1.098038732340513 eV
minimum distance =  2.26432084277244 Angstroms
sigma value = 29


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

Energy: 1.1220274449743755
Energy: 1.0900026426148497
Energy: 1.5639113918229304
Energy: 1.0900026426156606
Energy: 1.0784552476375244
Energy: 1.0910849450590205
Energy: 1.0909890185320323
Energy: 1.0910849450590205
Energy: 1.1238483200844045
Energy: 1.1849380280248178
Energy: 1.0795378672474427
Energy: 1.1849380280250987
Energy: 1.0903922293275423
Energy: 1.0792984728068686
Energy: 1.090660514447132
Energy: 1.079298472805496
Energy: 1.1228598836319403
Energy: 1.1562754764211873
Energy: 1.1237950231228941
Energy: 1.1562754764214682
Energy: 1.091439752938069
Energy: 1.1867396723641792
Energy: 1.0913805840732036
Energy: 1.1867396723641792
Energy: 1.1237968615697376
Energy: 1.1562010967484666
Energy: 1.1229810603734067
Energy: 1.156201096748186
Energy: 1.0907925586662819
Energy: 1.0793178615695793
Energy: 1.0906172748434964
Energy: 1.0793178615684875
Energy: 1.0792088953918932
Energy: 1.1850255386905788
Energy: 1.1123740402158624
Energy: 1.1850255386908595

minimum gb energy = 1.0784552476375244 eV
minimum distance =  2.30900019660878 Angstroms
sigma value = 5


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

Energy: 1.062903169815474
Energy: 1.085273360500832
Energy: 1.5291674571831029
Energy: 1.0852733605000706
Energy: 1.2004189747380016
Energy: 1.1361894464744948
Energy: 1.0333567875272671
Energy: 1.136189446472972
Energy: 1.0360616804280405
Energy: 1.0767789572337545
Energy: 1.2156115193084704
Energy: 1.076778957232232
Energy: 1.0294796389132135
Energy: 1.1349352009095808
Energy: 1.043948182595243
Energy: 1.1349352009088196
Energy: 1.0511908305922597
Energy: 1.1378069533861503
Energy: 1.2461565806140336
Energy: 1.1378069533861503
Energy: 1.0783315048008553
Energy: 1.0878910190351836
Energy: 1.031680502579262
Energy: 1.0878910190359448
Energy: 1.0363379368970662
Energy: 1.137834661348989
Energy: 1.0379414156664912
Energy: 1.1378346613497503
Energy: 1.0365606282462614
Energy: 1.088886283797039
Energy: 1.0358878136959455
Energy: 1.088886283797039
Energy: 1.0520317433358288
Energy: 1.1384329117971514
Energy: 1.0322881037354819
Energy: 1.1384329117963903
Energy: 1.0503442703220296
Energy: 1.1392751755669572
Energy: 1.0326622377426953
Energy: 1.13927517556848
Energy: 1.0477758618966142
Energy: 1.135345180463387
Energy: 1.0364238372923296
Energy: 1.135345180463387
Energy: 1.0371982119931404
Energy: 1.1531266884168265
Energy: 1.117258188242706
Energy: 1.1531266884153037
Energy: 1.0780861709466798
Energy: 1.0865501615527973
Energy: 1.083751975286324
Energy: 1.0865501615527973
Energy: 1.0516662313092884
Energy: 1.0852365429900885
Energy: 1.2207900818461532
Energy: 1.0852365429900885
Energy: 1.2604747268742784
Energy: 1.1454329364908649
Energy: 1.0364160641319151
Energy: 1.1454329364908649
Energy: 1.0399342346806169
Energy: 1.076562264968117
Energy: 1.0560834266858088
Energy: 1.0765622649688782
Energy: 1.2253431497702105
Energy: 1.065842229056205
Energy: 1.0394780292464807
Energy: 1.065842229057728
Energy: 1.0518346175536022
Energy: 1.0870289982106094
Energy: 1.1382125915882415
Energy: 1.0870289982098478
Energy: 1.0375831188897964
Energy: 1.1414817051415318
Energy: 1.0347215387703945
Energy: 1.1414817051415318
Energy: 1.0366653242740353
Energy: 1.1674403899350374
Energy: 1.0660843116044516
Energy: 1.1674403899350374
Energy: 1.0323733904774464
Energy: 1.1346241869580649
Energy: 1.0469595252571036
Energy: 1.1346241869580649
Energy: 1.0514058281333902
Energy: 1.1374280154479286
Energy: 1.052921206001038
Energy: 1.1374280154486898
Energy: 1.0333893272213408
Energy: 1.087838125425027
Energy: 1.0320294291521601
Energy: 1.087838125425027
Energy: 1.085677645977581
Energy: 1.0872358293858455
Energy: 1.0364759536671448
Energy: 1.0872358293858455
Energy: 1.09304470066058
Energy: 1.0741722197434838
Energy: 1.0348604413714966
Energy: 1.074172219744245
Energy: 1.0718129266780603
Energy: 1.0857136843731523
Energy: 1.0513593404325223
Energy: 1.0857136843739137
Energy: 1.0328701651364929
Energy: 1.128909227553198
Energy: 1.0634620572382798
Energy: 1.128909227553198
Energy: 1.087332928524496
Energy: 1.1376708907493185
Energy: 1.0396740907417303
Energy: 1.1376708907493185
Energy: 1.0363833364030808
Energy: 1.0498876484247281
Energy: 1.3853060487815623
Energy: 1.0498876484247281
Energy: 1.1553331819122283
Energy: 1.1995560122700766
Energy: 1.0518654737448077
Energy: 1.1995560122700766
Energy: 1.0288077020558317
Energy: 1.0571600159159193
Energy: 1.2135398291004877
Energy: 1.0571600159159193
Energy: 1.2237149714585236
Energy: 1.1053804384899433
Energy: 1.0371224589027688
Energy: 1.1053804384899433
Energy: 1.04150155041819
Energy: 1.1363795470187872
Energy: 1.0252523332692163
Energy: 1.1363795470180258

minimum gb energy = 1.0252523332692163 eV
minimum distance =  2.28434793542029 Angstroms
sigma value = 1


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

Energy: 1.0389457752440112
Energy: 1.0376177139730334
Energy: 1.4977826584352993
Energy: 1.0376177139719809
Energy: 1.244836144216944
Energy: 1.104912990764876
Energy: 0.9875131264523761
Energy: 1.104912990764876
Energy: 0.968028880272405
Energy: 1.0378900991062934
Energy: 1.151196314200393
Energy: 1.0378900991052404
Energy: 1.0074160977969011
Energy: 1.1049882591965314
Energy: 0.9885590290661009
Energy: 1.1049882591975841
Energy: 0.9684220316760477
Energy: 1.1409888510522381
Energy: 1.2206355883106779
Energy: 1.1409888510522381
Energy: 0.9694610219646779
Energy: 1.1042243219599095
Energy: 0.988594145628855
Energy: 1.1042243219609624
Energy: 0.9686464966679937
Energy: 1.1440775886197252
Energy: 1.04184076836312
Energy: 1.1440775886186727
Energy: 0.9688298348680116
Energy: 1.0428042036048284
Energy: 1.0316980286716075
Energy: 1.0428042036058813
Energy: 1.0368658355901874
Energy: 1.032239618018671
Energy: 1.0263021793877296
Energy: 1.0322396180197237
Energy: 1.0368585923839377
Energy: 1.0326742679605152
Energy: 1.0289350629405505
Energy: 1.0326742679605152
Energy: 0.9689836750811638
Energy: 1.0428024800309754
Energy: 1.0049431390495618
Energy: 1.04280248002887
Energy: 0.9684721979046161
Energy: 1.1412772798225992
Energy: 1.0419277407092211
Energy: 1.1412772798236521
Energy: 0.9692852428244266
Energy: 1.1041903422129515
Energy: 0.9885649237699835
Energy: 1.1041903422118988
Energy: 0.9682982857330491
Energy: 1.140846982576953
Energy: 1.2551365441039342
Energy: 1.1408469825759002
Energy: 1.0074496880466894
Energy: 1.1049766444793896
Energy: 0.9886008634763747
Energy: 1.1049766444783369
Energy: 0.9680202778663746
Energy: 1.0375008492835003
Energy: 1.0627987273546398
Energy: 1.0375008492835003
Energy: 1.2445199451258746
Energy: 1.1051737405058613
Energy: 0.9875572947602658
Energy: 1.1051737405037556
Energy: 1.0389457752440112
Energy: 1.0376177139730334
Energy: 1.0357801536434168
Energy: 1.0376177139730334
Energy: 1.2448361442179967
Energy: 1.104912990764876
Energy: 0.9875131264523761
Energy: 1.104912990764876
Energy: 0.968028880272405
Energy: 1.0378900991062934
Energy: 1.4056014101768668
Energy: 1.0378900991062934
Energy: 1.0074160977969011
Energy: 1.1049882591975841
Energy: 0.9885590290661009
Energy: 1.1049882591975841
Energy: 0.9684220316760477
Energy: 1.1409888510522381
Energy: 1.2088809901223583
Energy: 1.1409888510522381
Energy: 0.9694610219636252
Energy: 1.1042243219609624
Energy: 0.988594145628855
Energy: 1.1042243219609624
Energy: 0.9686464966690465
Energy: 1.1440775886197252
Energy: 1.006153808864303
Energy: 1.1440775886186727

minimum gb energy = 0.9680202778663746 eV
minimum distance =  2.29448809608184 Angstroms
sigma value = 17


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

Energy: 1.0261969044174217
Energy: 1.0242188091332871
Energy: 1.473903822090476
Energy: 1.0242188091332871
Energy: 1.139930661417211
Energy: 1.009382435811719
Energy: 0.9826600063665561
Energy: 1.0093824358110681
Energy: 0.985375492462159
Energy: 1.1128837683836645
Energy: 1.2249972738493424
Energy: 1.1128837683836645
Energy: 1.0203514671619769
Energy: 0.9781804633439574
Energy: 0.9788040357541672
Energy: 0.9781804633439574
Energy: 0.9779351286331133
Energy: 1.0943714239205762
Energy: 1.232559358749526
Energy: 1.0943714239205762
Energy: 0.9697464491959172
Energy: 0.9908579280370167
Energy: 0.9934061440287013
Energy: 0.9908579280376673
Energy: 0.9874167282921346
Energy: 1.0788193842102103
Energy: 1.0360286426595746
Energy: 1.0788193842095595
Energy: 0.971192218124019
Energy: 1.0652207323242169
Energy: 0.9739405198198261
Energy: 1.0652207323229155
Energy: 1.028094664404224
Energy: 1.058195077243928
Energy: 1.0119674606421236
Energy: 1.058195077243277
Energy: 1.025520051730302
Energy: 1.0608365674340137
Energy: 0.9846312120565252
Energy: 1.0608365674314109
Energy: 0.9850269127943426
Energy: 1.04136043694805
Energy: 0.9738227271154275
Energy: 1.0413604369473994
Energy: 0.988590051870807
Energy: 1.068859658542913
Energy: 0.9778167255341591
Energy: 1.0688596585422625
Energy: 0.9699584026655257
Energy: 1.052783234312885
Energy: 0.9793764375590386
Energy: 1.0527832343135355
Energy: 0.9789157836469147
Energy: 1.0934322542681385
Energy: 1.027509408048754
Energy: 1.093432254266837
Energy: 0.971801982218687
Energy: 0.9838324208354383
Energy: 1.0332790716357723
Energy: 0.9838324208354383
Energy: 0.985416761264133
Energy: 1.0138443895094933
Energy: 1.2357846419705536
Energy: 1.013844389508192
Energy: 0.993642888539497
Energy: 0.9835536543399076
Energy: 0.9790508148013997
Energy: 0.9835536543386063
Energy: 0.9778317041279542
Energy: 1.1237312577937675
Energy: 1.1673939058215403
Energy: 1.1237312577931167
Energy: 1.1306228286520803
Energy: 1.0711774460055756
Energy: 0.9853135536990113
Energy: 1.0711774460055756
Energy: 0.9927693237832612
Energy: 1.012680410903123
Energy: 1.0252150617360662
Energy: 1.0126804109037737
Energy: 1.2428309380269495
Energy: 1.0014031554754648
Energy: 0.978898080321145
Energy: 1.0014031554735128
Energy: 0.9788363209677075
Energy: 1.0663973651723482
Energy: 1.259323443693279
Energy: 1.0663973651736496
Energy: 1.10309526898188
Energy: 0.9906099407383275
Energy: 0.9931374537764711
Energy: 0.9906099407376768
Energy: 0.9854601051399061
Energy: 1.0793808115675039
Energy: 1.1404033902021393
Energy: 1.079380811566853
Energy: 1.0094877071147907
Energy: 1.025730345020117
Energy: 0.9780503458742775
Energy: 1.0257303450207675
Energy: 0.9787801933093959
Energy: 1.095677408067228
Energy: 0.9934505905817631
Energy: 1.0956774080665774
Energy: 1.1447682155953873
Energy: 1.0548328980261443
Energy: 0.9860162453753323
Energy: 1.0548328980267951
Energy: 1.037253818701482
Energy: 1.1967037759424795
Energy: 0.9718540547920126
Energy: 1.1967037759424795
Energy: 1.0410127970150407
Energy: 1.0937641891730354
Energy: 0.9772682965591826
Energy: 1.0937641891717342
Energy: 0.9788365670815088
Energy: 1.0525886341817765
Energy: 1.0081824534825743
Energy: 1.052588634182427
Energy: 0.9787363436540739
Energy: 1.093365232402315
Energy: 0.9885515843228888
Energy: 1.0933652324029657
Energy: 0.9710388513720504
Energy: 1.0370148741197478
Energy: 0.9821436309495434
Energy: 1.0370148741210492
Energy: 0.9861410038126089
Energy: 1.0604677489785066
Energy: 1.1642057528721859
Energy: 1.0604677489804586
Energy: 1.008602956035477
Energy: 1.002255447572686
Energy: 0.9963146221252757
Energy: 1.002255447570734
Energy: 0.9752105837905838
Energy: 1.0262798364823122
Energy: 1.0105131593960288
Energy: 1.0262798364823122
Energy: 1.0153920690010116
Energy: 1.0804112220861295
Energy: 0.9853181677052801
Energy: 1.0804112220861295
Energy: 0.9931214909445609
Energy: 1.1585588960846849
Energy: 0.9705459286498479
Energy: 1.158558896124968
Energy: 1.2324265954823783
Energy: 1.0959742219140325
Energy: 0.9789498292670703
Energy: 1.095974221912731

minimum gb energy = 0.9697464491959172 eV
minimum distance =  2.29159829713929 Angstroms
sigma value = 89


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

Energy: 0.9110595596743237
Energy: 0.9104135906929703
Energy: 1.4182799057431337
Energy: 0.9104135906929703
Energy: 0.9125640001278583
Energy: 0.9393427389622423
Energy: 0.9214662053901699
Energy: 0.9393427389605399
Energy: 0.9198412099793558
Energy: 1.082524123631852
Energy: 1.263792026469583
Energy: 1.082524123631852
Energy: 0.9055577286697665
Energy: 0.9395834793331748
Energy: 0.9213755182655027
Energy: 0.9395834793331748
Energy: 0.9114552419560071
Energy: 1.009727014589141
Energy: 0.9186363667925053
Energy: 1.009727014589141
Energy: 0.9121192005646082
Energy: 0.9123129963991711
Energy: 0.915188060682304
Energy: 0.9123129963991711
Energy: 0.9198221797933877
Energy: 1.0821815526070815
Energy: 0.9220674374034176
Energy: 1.0821815526070815
Energy: 0.9161208172122779
Energy: 1.0828075387684957
Energy: 0.9216165961818914
Energy: 1.0828075387684957
Energy: 0.9114617044573652
Energy: 1.012656359735567
Energy: 0.9122903055076037
Energy: 1.012656359735567
Energy: 0.9401119198507282
Energy: 0.9110117434378613
Energy: 0.9150542181082623
Energy: 0.9110117434344561
Energy: 0.9100158956024219
Energy: 0.9403515967317789
Energy: 0.9216770981385695
Energy: 0.9403515967317789
Energy: 0.9104867434855455
Energy: 1.081453616536025
Energy: 0.9212511888240001
Energy: 1.081453616536025
Energy: 0.9117931084312635
Energy: 0.9146416661944533
Energy: 0.906832031161531
Energy: 0.9146416661944533
Energy: 0.9140287972102348
Energy: 1.0101608552826873
Energy: 0.9139745450011035
Energy: 1.0101608552826873
Energy: 0.9139106264063197
Energy: 0.914643015484432
Energy: 0.9118947067117125
Energy: 0.914643015484432

minimum gb energy = 0.9055577286697665 eV
minimum distance =  2.30489716000012 Angstroms
sigma value = 13


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

Energy: 0.8892603198245778
Energy: 0.8491316954092432
Energy: 1.3525807933016287
Energy: 0.8491316954099568
Energy: 1.1587164825315597
Energy: 1.0308898321488702
Energy: 0.8436735543083393
Energy: 1.0308898321531519
Energy: 0.8509863526080781
Energy: 0.8501756874973257
Energy: 1.040601627505139
Energy: 0.8501756874980394
Energy: 0.8600343957031832
Energy: 1.0341240226163932
Energy: 0.8392954258291766
Energy: 1.0341240226149664
Energy: 0.8594946909439938
Energy: 0.9292045510575196
Energy: 0.8620424369460236
Energy: 0.9292045510560926
Energy: 0.8526208287257719
Energy: 0.8705510628559241
Energy: 0.8693833568326953
Energy: 0.8705510628552107
Energy: 0.8595521661734694
Energy: 0.8675674491078094
Energy: 1.13697504913981
Energy: 0.8675674491078094
Energy: 0.8329585921736127
Energy: 1.033944324505738
Energy: 0.8693055230066569
Energy: 1.0339443245028836
Energy: 0.8592290780177004
Energy: 0.9273817703505913
Energy: 1.0835330840597048
Energy: 0.927381770351305
Energy: 1.014686349881553
Energy: 1.1040449908176477
Energy: 0.8396949887522557
Energy: 1.1040449908297785
Energy: 0.8593613932407341
Energy: 0.9480790407930876
Energy: 0.8521358273210311
Energy: 0.9480790407916605
Energy: 1.0185703241987278
Energy: 1.1047856587393796
Energy: 0.8393975834559562
Energy: 1.1047856587343845
Energy: 0.8979742259644454
Energy: 0.8686341880019643
Energy: 0.8498808112932322
Energy: 0.8686341879998886
Energy: 1.180484239820778
Energy: 0.9475146553655301
Energy: 0.8393748626213764
Energy: 0.9475146553662438
Energy: 0.859470536285783
Energy: 0.8501578315658839
Energy: 0.8474424769846948
Energy: 0.8501578315658839
Energy: 0.8755140058841097
Energy: 0.9475390904355898
Energy: 0.8431428744207672
Energy: 0.9475390904363034
Energy: 0.8683287730336977
Energy: 0.9237204637186672
Energy: 0.8434940405364237
Energy: 0.9237204637193809
Energy: 0.8648871671310586
Energy: 0.924108677887376
Energy: 0.8778444112035129
Energy: 0.9241086778888032
Energy: 0.8682873622309826
Energy: 0.8691746723087211
Energy: 0.877767770668157
Energy: 0.8691746723094348
Energy: 0.868325614368294
Energy: 0.8693671086344309
Energy: 0.8777301606010803
Energy: 0.8693671086351443
Energy: 0.8644680657929239
Energy: 0.9240602455356357
Energy: 0.8778592382824478
Energy: 0.9240602455327813
Energy: 0.8683617793099598
Energy: 0.9234565443544802
Energy: 0.8429761670723777
Energy: 0.9234565443523394
Energy: 0.8747333311043967
Energy: 0.9476697765653428
Energy: 0.8430861726179749
Energy: 0.947669776563202
Energy: 0.8596189588843911
Energy: 0.8500466005940878
Energy: 0.8524401693842583
Energy: 0.8500466005912334
Energy: 1.1807568759900855
Energy: 0.947640647279006
Energy: 0.8394436414833438
Energy: 0.9476406472761517
Energy: 0.8977880098951431
Energy: 0.8685517978860868
Energy: 0.8519368393546871
Energy: 0.868551797887514
Energy: 1.1322453989625978
Energy: 1.1045962664053648
Energy: 0.8391873149506548
Energy: 1.1045962664025102
Energy: 0.8597800937427784
Energy: 0.9480511411947465
Energy: 0.8524332528085795
Energy: 0.9480511411911786
Energy: 1.0144154995985375
Energy: 1.106256351999258
Energy: 0.8395057959075858
Energy: 1.1062563520006854
Energy: 0.8594710418312579
Energy: 0.9271021828600498
Energy: 1.1290962556413338
Energy: 0.9271021828600498
Energy: 0.8329821769729552
Energy: 1.030481229966522
Energy: 0.8694249960606804
Energy: 1.0304812250535451
Energy: 0.8595371757158354
Energy: 0.9266208138097488
Energy: 1.136961974902088
Energy: 0.9266208138104622
Energy: 0.8526107168945785
Energy: 0.8705387901334591
Energy: 0.8693130136409186
Energy: 0.8705387901348862
Energy: 0.8595200645197826
Energy: 0.9292592165444081
Energy: 0.8621755652226805
Energy: 0.9292592165444081
Energy: 0.8601902921349878
Energy: 1.0303977426259998
Energy: 0.8393717387092479
Energy: 1.0303977426245725

minimum gb energy = 0.8329585921736127 eV
minimum distance =  2.25816590019176 Angstroms
sigma value = 37


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

Energy: 0.9512210522264911
Energy: 0.9504673085847903
Energy: 1.2894858560806788
Energy: 0.9504673085847903
Energy: 1.2716896586337794
Energy: 0.8058229924919845
Energy: 0.7749873630401453
Energy: 0.8058229924919845
Energy: 0.9064250823238507
Energy: 0.9291531414790525
Energy: 1.118103988929584
Energy: 0.9291531414790525
Energy: 0.8979001139435585
Energy: 0.9275482306713647
Energy: 0.7799080680641269
Energy: 0.9275482306713647
Energy: 0.7794178768666852
Energy: 0.8054007869611929
Energy: 0.9039058711471405
Energy: 0.8054007869611929
Energy: 0.7843525565102558
Energy: 0.9264281488541324
Energy: 0.9081877631179219
Energy: 0.9264281488541324
Energy: 0.7718078826196039
Energy: 0.9618351385687781
Energy: 1.1566282649982285
Energy: 0.9618351386055811
Energy: 0.7651305167283843
Energy: 0.8067586702756061
Energy: 0.8095079109836932
Energy: 0.8067586702756061
Energy: 0.7753929478429498
Energy: 0.8054704060094947
Energy: 1.1593845054754406
Energy: 0.8054704060094947
Energy: 1.1170187403678522
Energy: 0.9176273072474189
Energy: 0.908395061180538
Energy: 0.9176273072474189
Energy: 0.7794978939142522
Energy: 0.8670123145426826
Energy: 0.9111420604969347
Energy: 0.8670123145414548
Energy: 1.1005693843098288
Energy: 0.8062641965653211
Energy: 0.7799132229051929
Energy: 0.8062641965640933
Energy: 0.9106195933937882
Energy: 0.8054013483933143
Energy: 0.788893993498657
Energy: 0.8054013483945421
Energy: 1.1670546880376231
Energy: 0.8419129235511792
Energy: 0.7664485165698189
Energy: 0.8419129235511792
Energy: 0.9506160242086988
Energy: 0.9615266404214331
Energy: 0.7666540997455734
Energy: 0.9615266404214331
Energy: 0.9515191912643501
Energy: 0.8059360792650018
Energy: 0.7742988540554808
Energy: 0.8059360792650018
Energy: 0.910817276509786
Energy: 0.9166718503302566
Energy: 0.7621063928401706
Energy: 0.9166718503302566
Energy: 0.9126354208943797
Energy: 0.868824764011498
Energy: 0.7781325522337557
Energy: 0.868824764011498
Energy: 0.7794056456030165
Energy: 0.8085960729252278
Energy: 0.7759439695639044
Energy: 0.8085960729252278
Energy: 0.7758095012589441
Energy: 0.8070010755144198
Energy: 0.9080243791417465
Energy: 0.8070010755156476

minimum gb energy = 0.7621063928401706 eV
minimum distance =  2.32089350126013 Angstroms
sigma value = 25


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

Energy: 0.843398657761072
Energy: 0.7055579731867531
Energy: 1.2136688425545588
Energy: 0.7055579731867531
Energy: 1.1801402946307205
Energy: 0.9067467705568723
Energy: 0.6972394888220363
Energy: 0.9067467705559137
Energy: 0.799882206570255
Energy: 0.8000082728617613
Energy: 0.9662484414995387
Energy: 0.8000082728608027
Energy: 0.9857544640467675
Energy: 0.7235051706673016
Energy: 0.6972579443852326
Energy: 0.7235051706692189
Energy: 0.7061871149255363
Energy: 0.907514891197865
Energy: 0.7894003481695404
Energy: 0.9075148912515071
Energy: 0.7763610343911108
Energy: 0.8002551277072587
Energy: 0.7077712761018584
Energy: 0.8002551277254735
Energy: 0.696897997617946
Energy: 0.6911633803987018
Energy: 0.8033287693466971
Energy: 0.6911633803987018
Energy: 0.6782149587337428
Energy: 0.8289176362445906
Energy: 0.8008092078634048
Energy: 0.8289176362072024
Energy: 0.6963032684429307
Energy: 0.7142692596195757
Energy: 1.2668804958201185
Energy: 0.7142692596205344
Energy: 0.6700957073355904
Energy: 0.6962437055215416
Energy: 0.7347723655707802
Energy: 0.6962437055215416
Energy: 0.6966684017626904
Energy: 0.6910644822594865
Energy: 1.0958536558435779
Energy: 0.6910644822575691
Energy: 0.9617140216718209
Energy: 1.0136804761380058
Energy: 0.8009577353516212
Energy: 1.0136804758486173
Energy: 0.6983751840776948
Energy: 0.7231065042727113
Energy: 1.0941578506529048
Energy: 0.7231065042736701
Energy: 0.9622696431664876
Energy: 0.7797615550764156
Energy: 0.7076506792834889
Energy: 0.7797615550764156
Energy: 0.7082339078577337
Energy: 0.6918341070602275
Energy: 0.7816448666307628
Energy: 0.6918341070611861
Energy: 1.0593406775589347
Energy: 1.01257235393235
Energy: 0.7000856947871243
Energy: 1.01257235393235
Energy: 0.8040473401524554
Energy: 0.8292075591103175
Energy: 0.6788006731364298
Energy: 0.8292075591151109
Energy: 1.0185711385092118
Energy: 0.7109861184859024
Energy: 0.697577542769237
Energy: 0.7109861184859024
Energy: 0.8468973537446743
Energy: 0.7023804389301813
Energy: 0.6800853736924095
Energy: 0.7023804389311401
Energy: 1.1841155049484693
Energy: 0.9196276316302286
Energy: 0.7000432307587829
Energy: 0.9196276316196831
Energy: 0.8037732674043819
Energy: 1.0117845820933986
Energy: 0.6686538010440101
Energy: 1.0117845820933986
Energy: 0.8024053215020251
Energy: 0.7233439264418096
Energy: 0.7008881970232214
Energy: 0.7233439264427682
Energy: 0.708530068661062
Energy: 0.7789328018188199
Energy: 0.9675799435473047
Energy: 0.7789328018178612
Energy: 0.7793250781564722
Energy: 0.8255980685040718
Energy: 0.7046519759910758
Energy: 0.8255980685040718
Energy: 0.6947700521299749
Energy: 0.9160486004067162
Energy: 1.0565821051571618
Energy: 0.9160486004546062
Energy: 0.6754955731878479
Energy: 0.8290865773237812
Energy: 0.8055176498255425
Energy: 0.8290865773669215

minimum gb energy = 0.6686538010440101 eV
minimum distance =  2.27393459915249 Angstroms
sigma value = 41


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

Energy: 0.961062673758294
Energy: 0.6385076304427163
Energy: 1.156459648675219
Energy: 0.6385076304427163
Energy: 1.2566425552852043
Energy: 0.6248784834461012
Energy: 0.6167473314290036
Energy: 0.6248784834461012
Energy: 0.6379906800706698
Energy: 0.6141640015472055
Energy: 1.1875975194207593
Energy: 0.6141640015472055
Energy: 0.9512571674648643
Energy: 0.6258872868804682
Energy: 0.6167301414607999
Energy: 0.6258872868804682
Energy: 0.6132308384408575
Energy: 0.9759837176757159
Energy: 0.6187725730373076
Energy: 0.9759837176710001
Energy: 0.7915308498975085
Energy: 0.7897600099806174
Energy: 0.6166248625047688
Energy: 0.7897600099821892
Energy: 0.6158142250959776
Energy: 0.7909788477035609
Energy: 0.6224863726938965
Energy: 0.7909788477059186
Energy: 0.6023590525734606
Energy: 0.6383998508466028
Energy: 0.6139447561739284
Energy: 0.638399850845817
Energy: 0.618696485453723
Energy: 0.7999488727962341
Energy: 0.8827930123159838
Energy: 0.7999488723830005
Energy: 0.6004282217307711
Energy: 0.6145667070927778
Energy: 0.6387069143285315
Energy: 0.6145667070904199
Energy: 0.6158684467534794
Energy: 0.6252181327288974
Energy: 1.1121236641366523
Energy: 0.6252181327288974
Energy: 0.6016107502594912
Energy: 0.8011964310798205
Energy: 0.962073772688344
Energy: 0.8011964313696949
Energy: 0.6185121597600887
Energy: 0.8030032895671873
Energy: 1.185841533614763
Energy: 0.8030032893432973
Energy: 0.8545902221785092
Energy: 0.7168777196956164
Energy: 0.638649266204885
Energy: 0.7168777196956164
Energy: 0.6161778434166131
Energy: 0.6250209929714146
Energy: 0.9631516684985423
Energy: 0.6250209929714146
Energy: 0.8483808474464554
Energy: 0.802672896645899
Energy: 0.613914036588674
Energy: 0.8026728966176403
Energy: 0.6186877151801888
Energy: 0.6402418071513262
Energy: 0.8699488119798171
Energy: 0.6402418071497543
Energy: 0.8464330717801557
Energy: 0.716922425053565
Energy: 0.6166988107474133
Energy: 0.716922425053565
Energy: 0.6161307591803808
Energy: 0.6382587377674895
Energy: 0.614293391248044
Energy: 0.6382587377667036
Energy: 0.8478747815389794
Energy: 0.8001985762321646
Energy: 0.6207019769471546
Energy: 0.8001985679699599
Energy: 0.6407665808474934
Energy: 0.6401717493849433
Energy: 0.6017982439404214
Energy: 0.6401717493841573
Energy: 1.1122322463113965
Energy: 0.6541988354015613
Energy: 0.6167859527111973
Energy: 0.6541988354015613
Energy: 0.9624842851506278
Energy: 0.8016894841327411
Energy: 0.6143201098121316
Energy: 0.8016894842521705
Energy: 0.9795062082527459
Energy: 0.7991038910696042
Energy: 0.62177726968038
Energy: 0.799109167431194
Energy: 0.6410383512867343
Energy: 0.7143767777762549
Energy: 0.6153688521437907
Energy: 0.7143767777746829
Energy: 0.9593005254377391
Energy: 0.6544116065375096
Energy: 0.6167667368255174
Energy: 0.6544116065382957
Energy: 0.6162100202917054
Energy: 0.6378659839890387
Energy: 0.8456849028345338
Energy: 0.6378659839890387
Energy: 0.6165737332039397
Energy: 0.6382225488193514
Energy: 0.6221160076794885
Energy: 0.6382225488185655
Energy: 0.6189758060368836
Energy: 0.7145965073827244
Energy: 0.843894764630805
Energy: 0.7145965073835103
Energy: 0.6039067140363945
Energy: 0.8343555376560443
Energy: 0.6193601929958666
Energy: 0.8343555378351348
Energy: 0.6209224835388228
Energy: 0.6383575730006641
Energy: 0.8522069457535654
Energy: 0.6383575729998782
Energy: 0.6007498563388606
Energy: 0.6381691487678693
Energy: 0.644218159092365
Energy: 0.6381691487670834

minimum gb energy = 0.6004282217307711 eV
minimum distance =  2.31853857508507 Angstroms
sigma value = 15


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

Energy: 0.865790351847441
Energy: 0.5759042107886319
Energy: 1.1188118626856416
Energy: 0.5759042107906294
Energy: 1.2486542913057577
Energy: 0.5729146693608421
Energy: 0.5740176030793347
Energy: 0.5729146693608421
Energy: 0.5945730760028826
Energy: 0.5723996054559847
Energy: 1.1068541637956655
Energy: 0.5723996054559847
Energy: 0.9962664000416743
Energy: 0.5732401691929712
Energy: 0.5738686288008541
Energy: 0.573240169193637
Energy: 0.5719078576630809
Energy: 0.6391298529159667
Energy: 0.5659688855932039
Energy: 0.6391298529172983
Energy: 0.8657681677532535
Energy: 0.5731590624186791
Energy: 0.5740704630211219
Energy: 0.5731590624193449
Energy: 0.5733752745105062
Energy: 0.721339397592156
Energy: 0.5674857321440503
Energy: 0.7213393981671167
Energy: 0.7180585180906621
Energy: 0.721670923866117
Energy: 0.573984234435489
Energy: 0.7216709237815586
Energy: 0.5754163045847416
Energy: 0.5841027070769081
Energy: 0.7921612747583079
Energy: 0.5841027070762423
Energy: 0.5643743926612074
Energy: 0.5731631089008059
Energy: 0.5721652948849499
Energy: 0.5731631089014717
Energy: 0.5734518806582233
Energy: 0.5732847201885627
Energy: 0.9939722166866186
Energy: 0.5732847201872311
Energy: 0.5481718105942381
Energy: 0.5727939473354394
Energy: 0.5949029252570491
Energy: 0.5727939473354394
Energy: 0.5753802271906574
Energy: 0.5847398546996435
Energy: 1.185911802707924
Energy: 0.5847398547003093
Energy: 0.5645908810303033
Energy: 0.5732674512852997
Energy: 0.8667334391371061
Energy: 0.573267451283968
Energy: 0.5736172384668743
Energy: 0.5727343418178897
Energy: 1.1265042436746049
Energy: 0.572734341820553
Energy: 0.7694583965979689
Energy: 0.5728522328332657
Energy: 0.5953028555874423
Energy: 0.5728522328319341
Energy: 0.5752196544251237
Energy: 0.584309882341629
Energy: 1.058955558833465
Energy: 0.5843098823442922
Energy: 0.7654109492111821
Energy: 0.6360242855700319
Energy: 0.5721399414089898
Energy: 0.6360242855713635
Energy: 0.5735703109504748
Energy: 0.5724328390328681
Energy: 0.8620731901816053
Energy: 0.5724328390302049
Energy: 0.7578994236722444
Energy: 0.5734303590246679
Energy: 0.5740290097327315
Energy: 0.5734303590233363
Energy: 0.575395277704234
Energy: 0.7405023383367155
Energy: 0.7872453926428203
Energy: 0.7405023383087513
Energy: 0.772478038626004
Energy: 0.5831885286167314
Energy: 0.577275894998228
Energy: 0.583188528618063
Energy: 0.573681730724149
Energy: 0.5725876691209175
Energy: 0.5651693748307353
Energy: 0.5725876691202516
Energy: 1.0501160907218376
Energy: 0.5729012987799961
Energy: 0.573900361364233
Energy: 0.5729012987819935
Energy: 0.5966612744526304
Energy: 0.5956706815819104
Energy: 0.5634895304751988
Energy: 0.595670681583242
Energy: 1.0038289060464918
Energy: 0.5833428584665759
Energy: 0.5775084290331589
Energy: 0.5833428584685733
Energy: 0.8676103262670104
Energy: 0.5727665124108398
Energy: 0.5632420358825172
Energy: 0.5727665124121714
Energy: 1.1244834741511465
Energy: 0.5722670653950027
Energy: 0.5740273115780646
Energy: 0.5722670653982712
Energy: 0.5966502206603627
Energy: 0.658340864319414
Energy: 0.5639846395705718
Energy: 0.6583408643180824
Energy: 0.8708921219057134
Energy: 0.5835852872483193
Energy: 0.577465906906938
Energy: 0.5835852872483193
Energy: 0.5736634330007149
Energy: 0.634783611804666
Energy: 0.7633645711484779
Energy: 0.6347836118053318
Energy: 0.8594548479853471
Energy: 0.5721780748095694
Energy: 0.5740498682576967
Energy: 0.5721780748095694
Energy: 0.5754798478487037
Energy: 0.6584245404691054
Energy: 0.7621506604177011
Energy: 0.6584245405775725
Energy: 0.5745865151364613
Energy: 0.594644943036178
Energy: 0.5775273714488898
Energy: 0.594644943036178
Energy: 0.5596443775476261
Energy: 0.6348559555821334
Energy: 0.7693720858743766
Energy: 0.6348559555808018
Energy: 0.5605614758073915
Energy: 0.5721614147332017
Energy: 0.5758575387420884
Energy: 0.5721614147351992
Energy: 0.5754689203052974
Energy: 0.6579066038502366
Energy: 1.048549008109467
Energy: 0.6579066038502366

minimum gb energy = 0.5481718105942381 eV
minimum distance =  2.31620302589351 Angstroms
sigma value = 85


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

Energy: 0.8094440781328164
Energy: 0.5554368968530605
Energy: 1.0600255731919148
Energy: 0.5554368968530605
Energy: 1.2299209828355089
Energy: 0.5523235550846473
Energy: 0.5231526973565316
Energy: 0.5523235550852247
Energy: 0.7781765027387358
Energy: 0.5522197736439097
Energy: 0.5113308559466043
Energy: 0.5522197736433323
Energy: 0.992103905922683
Energy: 0.5522809581298896
Energy: 0.5233084729003081
Energy: 0.5522809581298896
Energy: 0.5521973448213913
Energy: 0.5217236437981118
Energy: 0.48729444458890303
Energy: 0.5217236437981118
Energy: 0.8683295924340667
Energy: 0.5532329810363382
Energy: 0.5230739631705459
Energy: 0.5532329810369158
Energy: 0.5208579463330543
Energy: 0.7941022503574087
Energy: 0.5200093676518672
Energy: 0.7941022503562537
Energy: 0.7417906087229175
Energy: 0.6646652249276309
Energy: 0.5230488113013717
Energy: 0.6646652249299406
Energy: 0.522669010719114
Energy: 0.6506563365755139
Energy: 0.716187163598176
Energy: 0.6506563365766688
Energy: 0.6151214166444076
Energy: 0.6810754426515592
Energy: 0.5213526409318552
Energy: 0.6810754426428972
Energy: 0.5243889869722634
Energy: 0.665338658370362
Energy: 0.7910103501605046
Energy: 0.6653386583697846
Energy: 0.4872688747803904
Energy: 0.5519883768213837
Energy: 0.5523857859052811
Energy: 0.5519883768213837
Energy: 0.5227416429449426
Energy: 0.5357934962419068
Energy: 0.9575258092627222
Energy: 0.5357934962430618
Energy: 0.4868492145041439
Energy: 0.6654721568775984
Energy: 0.7787038439141245
Energy: 0.6654721568775984
Energy: 0.5245735050510677
Energy: 0.6651810336640618
Energy: 1.1090422947569132
Energy: 0.6651810336681041
Energy: 0.48718221191868194
Energy: 0.5555387663388559
Energy: 0.8101833998694917
Energy: 0.5555387663394333
Energy: 0.5227013997178568
Energy: 0.535811840701042
Energy: 1.1618277218129807
Energy: 0.535811840701042
Energy: 0.6698107397242303
Energy: 0.6650134162687141
Energy: 0.7786503264174615
Energy: 0.6650134162785308
Energy: 0.5245438350326005
Energy: 0.664934585997677
Energy: 0.9918829012574086
Energy: 0.6649345859890151
Energy: 0.665028922037044
Energy: 0.5515902496768397
Energy: 0.552448025591185
Energy: 0.5515902496756846
Energy: 0.522755160279677
Energy: 0.5357106921515212
Energy: 0.9293526430354085
Energy: 0.5357106921515212
Energy: 0.6640831087885835
Energy: 0.6643672130751237
Energy: 0.5213660680978953
Energy: 0.6643672130751237
Energy: 0.5240761448467715
Energy: 0.5515030306778281
Energy: 0.7424830165185071
Energy: 0.5515030306766733
Energy: 0.6774801597546206
Energy: 0.5696089039959467
Energy: 0.5231437226463299
Energy: 0.5696089039959467
Energy: 0.5226997545506428
Energy: 0.5513530074463509
Energy: 0.678775085800453
Energy: 0.5513530074463509
Energy: 0.9195137557735688
Energy: 0.664599787545298
Energy: 0.5243666363356638
Energy: 0.664599787545298
Energy: 0.5536290751461702
Energy: 0.5515100193338124
Energy: 0.48722592750015
Energy: 0.5515100193343898
Energy: 0.9413069201306795
Energy: 0.5693950926728729
Energy: 0.523295658392651
Energy: 0.569395092671718
Energy: 0.779813524604769
Energy: 0.6649392563600338
Energy: 0.48880312174745777
Energy: 0.6649392563606112
Energy: 1.1088869661010212
Energy: 0.6650414766689
Energy: 0.5244819005681985
Energy: 0.6650414766654352
Energy: 0.8112359130430408
Energy: 0.5517009274103293
Energy: 0.48728375789825584
Energy: 0.5517009274109067
Energy: 1.0115877104754665
Energy: 0.5694393029053912
Energy: 0.5229472606671944
Energy: 0.5694393029048138
Energy: 0.7798447519138326
Energy: 0.6652550763435126
Energy: 0.4868240507468457
Energy: 0.66525507634178
Energy: 0.991931037909727
Energy: 0.6645663665254693
Energy: 0.5249608253833611
Energy: 0.6645663673849159
Energy: 0.5538670201419741
Energy: 0.5512698347850041
Energy: 0.6648192703004476
Energy: 0.5512698347832717
Energy: 0.7556889118515835
Energy: 0.569650069632868
Energy: 0.5233109188468992
Energy: 0.5696500696322906
Energy: 0.5228455496888996
Energy: 0.6647593163917519
Energy: 0.6667485905399083
Energy: 0.6647593163796252
Energy: 0.74223160555691
Energy: 0.5512681382759637
Energy: 0.5247682667825972
Energy: 0.5512681383406132
Energy: 0.5246703345744035
Energy: 0.5513168259734759
Energy: 0.6770925424236693
Energy: 0.5513168259734759
Energy: 0.4992606020023291
Energy: 0.5877322263483319
Energy: 0.5237694645249157
Energy: 0.5877322263471769
Energy: 0.525713128764991
Energy: 0.6654072326036176
Energy: 0.9195887590224394
Energy: 0.6654072326013076
Energy: 0.4874733447680849
Energy: 0.5512285171820678
Energy: 0.5544803946236089
Energy: 0.5512285171820678
Energy: 0.5239408060440399
Energy: 0.5512994952945941
Energy: 0.9396857893485664
Energy: 0.5512994952945941

minimum gb energy = 0.4868240507468457 eV
minimum distance =  2.33405836744489 Angstroms
sigma value = 113


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

Energy: 0.01551011270222795
Energy: 0.016467626880705463
Energy: 0.9042556563041266
Energy: 0.01646762688026154
Energy: 0.6650906052380033
Energy: 0.25434235556233864
Energy: 0.2550266320359242
Energy: 0.2543423555636457
Energy: 0.015510112702671873
Energy: 0.016467626880705463
Energy: 1.4444162178937168
Energy: 0.01646762688026154
Energy: 0.6650906052384472
Energy: 0.2543423555627825
Energy: 0.2550266320359242
Energy: 0.2543423555627825
Energy: 0.01551011270222795
Energy: 0.016467626880705463
Energy: 1.9751702185462372
Energy: 0.016467626879842278
Energy: 0.6650906052380033
Energy: 0.25434235556233864
Energy: 0.2550266320359242
Energy: 0.2543423555627825

minimum gb energy = 0.01551011270222795 eV
minimum distance =  2.54060817082032 Angstroms
sigma value = 1