Model name: model_name=Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.082927376031875
cohesive_energy=6.489023164852002
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.017246571291054606
Energy: 0.017653242388134305
Energy: 0.010970920216373742
Energy: 0.01765324238770311
Energy: 0.017246571291054606
Energy: 0.017653242388134305
Energy: 0.017653242388517593
Energy: 2.3970440106167543
Energy: 0.017653242388134305
Energy: 2.397044010616323
Energy: 0.01765324238894879
Energy: 2.397044010618
Energy: 0.010970920216373742
Energy: 0.017653242388517593
Energy: 0.017246571291054606
Energy: 0.017653242388517593
Energy: 0.01097092021718823
Energy: 0.017653242388134305
Energy: 0.017653242388517593
Energy: 2.397044010617186
Energy: 0.017653242388517593
Energy: 2.397044010618431
Energy: 0.017653242388517593
Energy: 2.397044010617617
Energy: 0.017246571291054606
Energy: 0.017653242388134305
Energy: 0.010970920216373742
Energy: 0.017653242388517593
Energy: 0.017246571291054606
Energy: 0.017653242388517593
Energy: 0.017653242388134305
Energy: 2.397044010617617
Energy: 0.017653242388517593
Energy: 2.397044010617186
Energy: 0.017653242388517593
Energy: 2.397044010617617

minimum gb energy = 0.010970920216373742 eV
minimum distance =  2.5990221475941 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.51643167327543
Energy: 0.6089984324140857
Energy: 1.350693895470672
Energy: 0.6089984324140857
Energy: 1.5164316732775058
Energy: 0.6089984324140857
Energy: 1.4270002946854183
Energy: 0.5515984328580943
Energy: 1.5086620082041442
Energy: 0.5515984328591322
Energy: 1.4270002946833424
Energy: 0.5515984328591322
Energy: 1.3453641372913794
Energy: 0.5481259362726059
Energy: 1.532220893073858
Energy: 0.5481259362746816
Energy: 1.3453641372913794
Energy: 0.5481259362736437
Energy: 1.5254152339492464
Energy: 0.2968169232539288
Energy: 1.429451634098032
Energy: 0.2968169232528909
Energy: 1.5254152339482083
Energy: 0.2968169232539288
Energy: 1.56538521317776
Energy: 0.7447637131843295
Energy: 1.5622488271810304
Energy: 0.7447637131853674
Energy: 1.56538521317776
Energy: 0.7447637131843295
Energy: 1.5368187395320119
Energy: 0.5487549449466098
Energy: 1.3513766957383038
Energy: 0.5487549449466098
Energy: 1.5368187395330497
Energy: 0.5487549449476478
Energy: 1.53522483949174
Energy: 0.5486518335886349
Energy: 1.352823284057023
Energy: 0.548651833587597
Energy: 1.53522483949174
Energy: 0.548651833587597
Energy: 1.5588606550395152
Energy: 0.6097974231223006
Energy: 1.3466679556736847
Energy: 0.6097974231223006
Energy: 1.5588606550395152
Energy: 0.6097974231223006
Energy: 1.5267114162096322
Energy: 0.29763878395788756
Energy: 1.3473735969455205
Energy: 0.29763878395684956
Energy: 1.5267114162096322
Energy: 0.29763878395684956
Energy: 1.5344735394035014
Energy: 0.5467780718458649
Energy: 1.3515067189326448
Energy: 0.546778071843789
Energy: 1.5344735394035014
Energy: 0.546778071844827
Energy: 1.5184242218672614
Energy: 0.5626871488634934
Energy: 1.5062684751463298
Energy: 0.5626871488645312
Energy: 1.5184242218662234
Energy: 0.5626871488645312
Energy: 1.3466949308330907
Energy: 0.9039455057089019
Energy: 1.3467386664054712
Energy: 0.9039455057078639
Energy: 1.3466949308341285
Energy: 0.9039455057089019
Energy: 1.5062550810141266
Energy: 0.5626871488645312
Energy: 1.4336490881162796
Energy: 0.5626871488666072
Energy: 1.5062550810151645
Energy: 0.5626871488666072
Energy: 1.3514748561450405
Energy: 0.5468017443784092
Energy: 1.5344827033610617
Energy: 0.5468017443784092
Energy: 1.3514748561481542
Energy: 0.5468017443784092
Energy: 1.3476145114526032
Energy: 0.29764389622696297
Energy: 1.5265399796370762
Energy: 0.29764389622800086
Energy: 1.347621428064507
Energy: 0.29764389622696297
Energy: 1.344856891113529
Energy: 0.6097544063770605
Energy: 1.5588888456006906
Energy: 0.6097544063770605
Energy: 1.3448839649867474
Energy: 0.6097544063770605
Energy: 1.352836294048148
Energy: 0.5485860892220398
Energy: 1.535231499031939
Energy: 0.5485860892230778
Energy: 1.352836294049186
Energy: 0.5485860892230778
Energy: 1.3513960500643878
Energy: 0.5487676964934384
Energy: 1.5371800297280138
Energy: 0.5487676964934384
Energy: 1.3513960308439017
Energy: 0.5487676964934384
Energy: 1.4466332521876926
Energy: 0.7448169067848592
Energy: 1.5651707560035624
Energy: 0.7448169067858971
Energy: 1.4466332521887306
Energy: 0.7448169067858971
Energy: 1.4295962737650285
Energy: 0.2968081368888438
Energy: 1.525412410508695
Energy: 0.29680813688780583
Energy: 1.4295962737671044
Energy: 0.2968081368888438
Energy: 1.5322525821020727
Energy: 0.5482271481564649
Energy: 1.3453561890416417
Energy: 0.5482271481575028
Energy: 1.5322525821020727
Energy: 0.5482271481564649
Energy: 1.5086869079865401
Energy: 0.5516503900031637
Energy: 1.4270127762169054
Energy: 0.5516503900031637
Energy: 1.5086869079844643
Energy: 0.5516503900031637
Energy: 1.4441902846513726
Energy: 0.6089984324140857
Energy: 1.5164316732775058
Energy: 0.6089984324140857
Energy: 1.4441902801195972
Energy: 0.6089984324130477

minimum gb energy = 0.29680813688780583 eV
minimum distance =  2.47947303612274 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8003447207413223
Energy: 0.8615250680411488
Energy: 0.7032067774271077
Energy: 0.8615250680405584
Energy: 1.8003447207383705
Energy: 0.8615250680399681
Energy: 1.3035884191709142
Energy: 0.7838144498822807
Energy: 1.4376825433482148
Energy: 0.7838144498834614
Energy: 1.3035884191732756
Energy: 0.7838144498834614
Energy: 1.2806320169012486
Energy: 0.9344153493089935
Energy: 1.450446117451461
Energy: 0.9344153493084031
Energy: 1.2806705276724686
Energy: 0.9344153493084031
Energy: 1.3388305069668827
Energy: 0.6861185499395176
Energy: 0.665551032318688
Energy: 0.6861185499395176
Energy: 1.3388305069993
Energy: 0.686118549940108
Energy: 1.3281018546051546
Energy: 0.773911665501216
Energy: 1.483599215673974
Energy: 0.7739116655006257
Energy: 1.328101840102978
Energy: 0.7739116655006257
Energy: 1.36128406468371
Energy: 0.7804674798657099
Energy: 1.285040621556462
Energy: 0.7804674798657099
Energy: 1.3612840646866622
Energy: 0.7804674798657099
Energy: 1.348756264785608
Energy: 0.770694031711997
Energy: 0.5438536677619614
Energy: 0.770694031711997
Energy: 1.3487562649472649
Energy: 0.770694031711997
Energy: 1.325843339078068
Energy: 0.7701276634494928
Energy: 1.3891773552116151
Energy: 0.7701276634489024
Energy: 1.3258608798140394
Energy: 0.7701276634483118
Energy: 1.2939452703076462
Energy: 0.6873562978004457
Energy: 1.4226667908107977
Energy: 0.6873562978004457
Energy: 1.2939452703088268
Energy: 0.6873562978010361
Energy: 1.3107983327896073
Energy: 0.8525546979250923
Energy: 1.333559708971291
Energy: 0.8525546979250923
Energy: 1.3107983327907884
Energy: 0.8525546979250923
Energy: 1.335043685282657
Energy: 0.7673258614720087
Energy: 1.449932845592851
Energy: 0.7673258614696472
Energy: 1.335044098160629
Energy: 0.7673258614720087
Energy: 1.454183277446582
Energy: 0.7751744478376417
Energy: 1.330305965896069
Energy: 0.7751744478370513
Energy: 1.454183277446582
Energy: 0.7751744478370513
Energy: 1.4446182180564837
Energy: 0.6378176136364393
Energy: 1.2692826196706286
Energy: 0.637817613635849
Energy: 1.4446182180553027
Energy: 0.6378176136352586
Energy: 1.2954021285461936
Energy: 0.8524420255467873
Energy: 1.2595086004665434
Energy: 0.8524420255473776
Energy: 1.2954021285461936
Energy: 0.8524420255473776
Energy: 1.4203273109660757
Energy: 0.7830051444269787
Energy: 1.2880258886819604
Energy: 0.7830051444269787
Energy: 1.4203273109643044
Energy: 0.7830051444269787
Energy: 1.41752613203539
Energy: 0.7721248915269192
Energy: 1.3320182466028119
Energy: 0.7721248915275095
Energy: 1.4175261320359804
Energy: 0.7721248915269192
Energy: 1.4505391411028898
Energy: 0.7842967749464146
Energy: 1.33379472601704
Energy: 0.7842967749464146
Energy: 1.4505391411028898
Energy: 0.7842967749464146
Energy: 1.445790914381786
Energy: 0.7861286770166233
Energy: 1.2882532350197105
Energy: 0.786128677017804
Energy: 1.4457909143823762
Energy: 0.7861286770166233
Energy: 1.2856483218130146
Energy: 0.7770579890660686
Energy: 1.389140741945224
Energy: 0.7770579890654781
Energy: 1.285648321077185
Energy: 0.7770579890660686
Energy: 1.3381883079737984
Energy: 0.688723504645394
Energy: 1.4114318496168374
Energy: 0.6887235046477556
Energy: 1.3381883079737984
Energy: 0.6887235046448036
Energy: 1.4356936323983467
Energy: 0.8465867309240147
Energy: 0.4487332086525709
Energy: 0.8465867309240147
Energy: 1.4356936323983467
Energy: 0.8465867309246052
Energy: 1.2903726451353392
Energy: 1.0771220548392466
Energy: 1.44940328829607
Energy: 1.077122054838066
Energy: 1.2903726067002905
Energy: 1.077122054838066
Energy: 1.3320762166809748
Energy: 0.7699918535575832
Energy: 1.480150888329119
Energy: 0.769991853555812
Energy: 1.332076216679794
Energy: 0.7699918535564024
Energy: 1.4453867535979656
Energy: 0.8236079992337187
Energy: 1.4514186385460939
Energy: 0.8236079992337187
Energy: 1.445386753596785
Energy: 0.823607999232538
Energy: 1.3325825034890049
Energy: 0.7745411501591133
Energy: 1.4503645057753987
Energy: 0.7745411501579326
Energy: 1.3325825034866432
Energy: 0.7745411501585229
Energy: 1.4150088252704112
Energy: 0.8695988973410497
Energy: 1.316203306472191
Energy: 0.86959889734164
Energy: 1.41500882526805
Energy: 0.8695988973404594
Energy: 1.415718090705701
Energy: 0.8696253165380293
Energy: 1.3085058183525624
Energy: 0.8696253165380293
Energy: 1.4157180907039297
Energy: 0.8696253165374389
Energy: 1.3325560523536384
Energy: 0.7745411036135156
Energy: 1.450319000768019
Energy: 0.7745411036146962
Energy: 1.3325560523559996
Energy: 0.7745411036141059
Energy: 1.445473711768044
Energy: 0.8217322776238988
Energy: 1.4515048997896647
Energy: 0.8217322776244892
Energy: 1.445473711768044
Energy: 0.8217322776244892
Energy: 1.3320696551212734
Energy: 0.7700401220983728
Energy: 1.3927840127434281
Energy: 0.7700401220971921
Energy: 1.3320696551230444
Energy: 0.7700401220977824
Energy: 1.2903350213903575
Energy: 1.0771220548433795
Energy: 1.449439855170255
Energy: 1.0771220548427891
Energy: 1.2903349918378084
Energy: 1.0771220548433795
Energy: 1.4357044519196085
Energy: 0.8466444226381539
Energy: 0.6973672838586942
Energy: 0.8466444226387444
Energy: 1.4357044519196085
Energy: 0.8466444226387444
Energy: 1.3383661471550907
Energy: 0.6887664024660909
Energy: 1.4114791873263404
Energy: 0.6887664024655006
Energy: 1.3383661471527293
Energy: 0.6887664024660909
Energy: 1.28564598755697
Energy: 0.7770755546224695
Energy: 1.3306518795529645
Energy: 0.7770755546224695
Energy: 1.285645986914367
Energy: 0.7770755546212885
Energy: 1.445624427028095
Energy: 0.7867776594288021
Energy: 1.4462500245881422
Energy: 0.7867776594293925
Energy: 1.445624427028095
Energy: 0.7867776594293925
Energy: 1.4506626857225826
Energy: 0.7809500865811635
Energy: 1.3338022739430915
Energy: 0.7809500865823443
Energy: 1.4506626857202214
Energy: 0.7809500865829347
Energy: 1.4175319898238654
Energy: 0.7718997351817106
Energy: 1.3040963769331575
Energy: 0.7718997351828912
Energy: 1.4175319898244556
Energy: 0.7718997351823009
Energy: 1.4203504026504292
Energy: 0.7830282698655707
Energy: 1.2881524050125341
Energy: 0.7830282698673418
Energy: 1.4203504026492486
Energy: 0.7830282698679322
Energy: 1.295370446420271
Energy: 0.8528052264172066
Energy: 1.2594247532064518
Energy: 0.8528052264166163
Energy: 1.295370446420271
Energy: 0.8528052264166163
Energy: 1.4447601440662536
Energy: 0.6381087109830211
Energy: 1.2691519844619397
Energy: 0.6381087109842019
Energy: 1.4447601440674345
Energy: 0.6381087109824307
Energy: 1.4541760396699788
Energy: 0.7751150637287383
Energy: 1.3037524895942114
Energy: 0.7751150637293287
Energy: 1.4541760396699788
Energy: 0.7751150637287383

minimum gb energy = 0.4487332086525709 eV
minimum distance =  2.45734109591783 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.2389074040411443
Energy: 0.9682820329610143
Energy: 1.0779918540750402
Energy: 0.9682820329610143
Energy: 1.2389074040411443
Energy: 0.9682820329610143
Energy: 0.5308719276582768
Energy: 0.799085369061143
Energy: 0.8224759879160392
Energy: 0.799085369062511
Energy: 0.5308719276582768
Energy: 0.799085369062511
Energy: 0.7216443821685603
Energy: 0.9738882153430319
Energy: 0.8702623420800488
Energy: 0.9738882153430319
Energy: 0.7216443770863287
Energy: 0.9738882153443998
Energy: 0.5315784886701036
Energy: 0.9551127490645233
Energy: 0.8205096575802042
Energy: 0.9551127490645233
Energy: 0.5315784886714716
Energy: 0.9551127490645233
Energy: 0.6199142096635123
Energy: 0.8739217651003919
Energy: 0.7784382474037947
Energy: 0.8739217651017598
Energy: 0.6199136376793388
Energy: 0.8739217651017598
Energy: 1.2411626896321797
Energy: 0.9007091245956073
Energy: 0.8268794054045602
Energy: 0.9007091245956073
Energy: 1.2411626896321797
Energy: 0.9007091245956073
Energy: 1.1852128450787796
Energy: 0.8742578374853935
Energy: 0.7601526169518026
Energy: 0.8742578374853935
Energy: 1.1852128450787796
Energy: 0.8742578374853935
Energy: 0.6032040222505102
Energy: 0.9001182014330121
Energy: 0.6430635109944297
Energy: 0.90011820143438
Energy: 0.6032065272292242
Energy: 0.90011820143438
Energy: 1.186032508977714
Energy: 0.8131586992538873
Energy: 0.7636679213146175
Energy: 0.8131586992552553
Energy: 1.1860325089790817
Energy: 0.8131586992552553
Energy: 0.7272452314229108
Energy: 1.0500432215139448
Energy: 0.6772859395836006
Energy: 1.0500432215139448
Energy: 0.7272452314229108
Energy: 1.0500432215139448
Energy: 1.1857733959860566
Energy: 0.8752770007705195
Energy: 0.8186355847244555
Energy: 0.8752770007705195
Energy: 1.1857733959860566
Energy: 0.8752770007705195
Energy: 1.2428452111388004
Energy: 0.9696739089787576
Energy: 0.8257589340192671
Energy: 0.9696739089801255
Energy: 1.2428452111388004
Energy: 0.9696739089801255
Energy: 0.8634116929589322
Energy: 0.8775312069925297
Energy: 0.815950453741088
Energy: 0.8775312069938976
Energy: 0.8634116929575643
Energy: 0.8775312069938976
Energy: 0.5309986169387012
Energy: 0.9784130882678457
Energy: 0.8198339571716374
Energy: 0.9784130882678457
Energy: 0.530991196359742
Energy: 0.9784130882692136
Energy: 0.5287305503251678
Energy: 0.9836899378204346
Energy: 0.8189724072538357
Energy: 0.9836899378190666
Energy: 0.5287305503251678
Energy: 0.9836899378190666
Energy: 0.6409554690558492
Energy: 0.8766190321084085
Energy: 0.8184840164433141
Energy: 0.8766190321097763
Energy: 0.640955468904074
Energy: 0.8766190321097763
Energy: 1.2389643189191133
Energy: 0.9802880719554361
Energy: 0.82468822719706
Energy: 0.9802880719568041
Energy: 1.2389643189191133
Energy: 0.9802880719568041
Energy: 1.1861650857222694
Energy: 0.8726646121857184
Energy: 0.8202619922666087
Energy: 0.8726646121843507
Energy: 1.1861650857222694
Energy: 0.8726646121843507

minimum gb energy = 0.5287305503251678 eV
minimum distance =  2.45888576591747 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.8977427150574329
Energy: 1.0467647392633703
Energy: 0.8659634086134838
Energy: 1.0467647392625588
Energy: 1.8977427150574329
Energy: 1.0467647392625588
Energy: 0.907821923300444
Energy: 0.9647614337233107
Energy: 1.6284244555342766
Energy: 0.9647614337233107
Energy: 0.9078219232996326
Energy: 0.9647614337233107
Energy: 1.5245944595379988
Energy: 1.059445779198245
Energy: 1.6654937867743225
Energy: 1.059445779198245
Energy: 1.5245944595388103
Energy: 1.0594457791974337
Energy: 1.5304755656418554
Energy: 0.8964243542388048
Energy: 1.6851964655535856
Energy: 0.8964243542396162
Energy: 1.530484485181132
Energy: 0.8964243542388048
Energy: 1.532606680402823
Energy: 1.0496230823215476
Energy: 1.5537853126082226
Energy: 1.049623082322359
Energy: 1.5326066804020115
Energy: 1.0496230823215476
Energy: 1.2031959812690725
Energy: 1.0495545457099729
Energy: 1.5328535484188475
Energy: 1.049554545710784
Energy: 1.2031959812682609
Energy: 1.049554545710784
Energy: 1.6854261836188715
Energy: 0.8964030285490312
Energy: 1.5304666519461438
Energy: 0.8964030285490312
Energy: 1.6854261836188715
Energy: 0.8964030285490312
Energy: 1.665589521987007
Energy: 1.059331959614086
Energy: 1.5245906261410513
Energy: 1.059331959614086
Energy: 1.6655895219878183
Energy: 1.0593319596148973
Energy: 1.6283845488523505
Energy: 0.96495654246598
Energy: 1.54821054814129
Energy: 0.9649565424651687
Energy: 1.6283845488507276
Energy: 0.9649565424651687
Energy: 0.9067527160653999
Energy: 1.0467647392625588
Energy: 1.8977427150574329
Energy: 1.0467647392625588
Energy: 0.9067527160662112
Energy: 1.0467647392625588
Energy: 1.6284244555326537
Energy: 0.964761433724122
Energy: 1.5399345347096831
Energy: 0.9647614337233107
Energy: 1.6284244555342766
Energy: 0.9647614337233107
Energy: 1.6654937867735113
Energy: 1.0594457791974337
Energy: 1.5245944595388103
Energy: 1.059445779198245
Energy: 1.6654937867743225
Energy: 1.0594457791990564
Energy: 1.6851964655527742
Energy: 0.8964243542379935
Energy: 1.5304790830150337
Energy: 0.8964243542379935
Energy: 1.6851964655535856
Energy: 0.8964243542379935
Energy: 0.8982010780346452
Energy: 1.0496230823215476
Energy: 1.5326066804012
Energy: 1.049623082322359
Energy: 1.5536177139843155
Energy: 1.0496230823215476
Energy: 1.5328535484188475
Energy: 1.0495545457115956
Energy: 1.6958534150670252
Energy: 1.049554545710784
Energy: 1.532853548419659
Energy: 1.049554545710784
Energy: 0.9049720494305454
Energy: 0.8964030285498426
Energy: 1.68542618361806
Energy: 0.8964030285498426
Energy: 0.9049720494337911
Energy: 0.8964030285498426
Energy: 1.5245906261410513
Energy: 1.0593319596132746
Energy: 1.665589521987007
Energy: 1.059331959614086
Energy: 1.524590626142674
Energy: 1.059331959614086
Energy: 1.5482450543270185
Energy: 0.96495654246598
Energy: 1.6283845488523505
Energy: 0.96495654246598
Energy: 1.5482288878414296
Energy: 0.96495654246598
Energy: 1.8977427150590553
Energy: 1.0467647392625588
Energy: 0.9067527160670227
Energy: 1.0467647392633703
Energy: 1.8977427150582444
Energy: 1.0467647392625588
Energy: 1.5399348108123976
Energy: 0.9647614337216879
Energy: 1.6284244555326537
Energy: 0.9647614337233107
Energy: 1.5399345031358451
Energy: 0.9647614337233107
Energy: 1.5245944595379988
Energy: 1.0594457791990564
Energy: 1.6654937867759456
Energy: 1.059445779198245
Energy: 1.5245944595379988
Energy: 1.059445779196622
Energy: 1.5304734425066613
Energy: 0.8964243542388048
Energy: 1.685196465551963
Energy: 0.8964243542388048
Energy: 1.5304786923495355
Energy: 0.8964243542388048
Energy: 1.5326066804020115
Energy: 1.049623082322359
Energy: 1.553775156570327
Energy: 1.049623082322359
Energy: 1.5326066804020115
Energy: 1.049623082322359
Energy: 1.6958534115779258
Energy: 1.0495545457091613
Energy: 1.5328535484172248
Energy: 1.0495545457091613
Energy: 1.6958534151659792
Energy: 1.0495545457091613
Energy: 1.68542618361806
Energy: 0.8964030285498426
Energy: 1.6023507507450834
Energy: 0.8964030285490312
Energy: 1.68542618361806
Energy: 0.8964030285490312
Energy: 1.6655895219861956
Energy: 1.059331959614086
Energy: 1.524590626142674
Energy: 1.059331959614086
Energy: 1.665589521987007
Energy: 1.059331959614086
Energy: 1.6283845488491047
Energy: 0.96495654246598
Energy: 1.5481965923289627
Energy: 0.9649565424651687
Energy: 1.6283845488507276
Energy: 0.9649565424651687
Energy: 1.629115866104873
Energy: 1.0467647392633703
Energy: 1.8977427150582444
Energy: 1.0467647392625588
Energy: 1.6291158662727594
Energy: 1.0467647392633703
Energy: 1.6284244555334653
Energy: 0.9647614337233107
Energy: 1.5399345477090327
Energy: 0.9647614337233107
Energy: 1.6284244555334653
Energy: 0.9647614337233107
Energy: 1.6654937867743225
Energy: 1.0594457791990564
Energy: 1.5245944595379988
Energy: 1.0594457791990564
Energy: 1.6654937867743225
Energy: 1.0594457791974337

minimum gb energy = 0.8659634086134838 eV
minimum distance =  2.4298077651859 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4871720264825328
Energy: 0.23229211282872908
Energy: 0.6884958735362094
Energy: 0.23229211282872908
Energy: 1.487172026480545
Energy: 0.23229211282872908
Energy: 1.4957558707401506
Energy: 0.4858188084690349
Energy: 1.4983253227397955
Energy: 0.4858188084670473
Energy: 1.495755870738163
Energy: 0.4858188084670473
Energy: 1.500932603209172
Energy: 0.7898333495745938
Energy: 1.5596432753013538
Energy: 0.7898333495745938
Energy: 1.500932603209172
Energy: 0.7898333495745938
Energy: 1.4839216376556772
Energy: 0.23085394640044812
Energy: 1.5232572902783488
Energy: 0.23085394640044812
Energy: 1.483921637131198
Energy: 0.23085394640044812
Energy: 1.5257219978388386
Energy: 0.23190432844937267
Energy: 1.503391835805374
Energy: 0.23190432844937267
Energy: 1.5257219978388386
Energy: 0.23190432844937267
Energy: 1.4969185822133448
Energy: 0.7893657959656674
Energy: 1.52116770038065
Energy: 0.7893657959656674
Energy: 1.4969185819391575
Energy: 0.7893657959656674
Energy: 1.5015370954840843
Energy: 0.6776488288862527
Energy: 1.4974739090146716
Energy: 0.6776488288882402
Energy: 1.5015370954801093
Energy: 0.6776488288882402
Energy: 1.4839091349697022
Energy: 0.2314206523373767
Energy: 1.499744537358551
Energy: 0.2314206523373767
Energy: 1.4839091372066553
Energy: 0.2314206523373767
Energy: 1.4986553120590833
Energy: 0.4862737197990285
Energy: 1.5007148082935744
Energy: 0.4862737197990285
Energy: 1.4986067408641215
Energy: 0.4862737197990285
Energy: 1.4971777909682666
Energy: 0.7887467277765473
Energy: 1.4971806924095632
Energy: 0.7887467277765473
Energy: 1.4971777909702542
Energy: 0.7887467277765473
Energy: 1.4963356045225367
Energy: 0.4863067413654988
Energy: 1.498618220362576
Energy: 0.4863067413654988
Energy: 1.4963358403680669
Energy: 0.4863067413654988
Energy: 1.4994910693858696
Energy: 0.23154010069293707
Energy: 1.4840882164137517
Energy: 0.23154010069492462
Energy: 1.5001098552163157
Energy: 0.23154010069293707

minimum gb energy = 0.23085394640044812 eV
minimum distance =  2.4766310686066 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.373680845962111
Energy: 0.999197435511308
Energy: 0.45743200360358965
Energy: 0.999197435511308
Energy: 1.37368062749505
Energy: 0.9991974355107497
Energy: 1.3065728364600682
Energy: 0.5930775599312293
Energy: 1.305515287819966
Energy: 0.55340026673009
Energy: 1.3065728364589513
Energy: 0.6363474912898612
Energy: 1.345969257706228
Energy: 0.845513163604556
Energy: 1.3632134479666183
Energy: 0.8455131636056727
Energy: 1.345969257706228
Energy: 0.8455131636051144
Energy: 1.3222110361793804
Energy: 0.7889781707299545
Energy: 1.2967279916876226
Energy: 0.7889781707299545
Energy: 1.322211036177197
Energy: 0.7889781707305129
Energy: 1.3392682165401995
Energy: 0.801585094297155
Energy: 1.3060840832427156
Energy: 0.8015850942977134
Energy: 1.3392682165374072
Energy: 0.8015850942988303
Energy: 1.2961161579294893
Energy: 0.7434113492455019
Energy: 1.2930014638910186
Energy: 0.7373003439474592
Energy: 1.2961161579250216
Energy: 0.7434113492455019
Energy: 1.4647795621691813
Energy: 0.8074594992055872
Energy: 1.2825561523191633
Energy: 0.8074594992050288
Energy: 1.4647795621691813
Energy: 0.8074594992055872
Energy: 1.4403258086178454
Energy: 0.9091417823036362
Energy: 1.4181955136472189
Energy: 0.9091417823036362
Energy: 1.4403258087858357
Energy: 0.9091417823036362
Energy: 1.337148414203151
Energy: 0.6082262186159886
Energy: 1.320758463595791
Energy: 0.6082262186171056
Energy: 1.337148414202034
Energy: 0.6082262186165471
Energy: 1.5762661454432696
Energy: 0.9968853838658392
Energy: 1.3397068717451701
Energy: 0.9968853838647224
Energy: 1.5762661454415943
Energy: 0.9968853838647224
Energy: 0.6953049280697409
Energy: 0.6995817297148322
Energy: 1.3315551693334375
Energy: 0.6995817297153908
Energy: 0.6953049280691824
Energy: 0.699581729717066
Energy: 1.362137816408925
Energy: 0.756196326718333
Energy: 1.3377532202265603
Energy: 0.7561963267188915
Energy: 1.3621378164100417
Energy: 0.7561963267188915
Energy: 1.2808645073807443
Energy: 0.9073157182179484
Energy: 1.2866893312562453
Energy: 0.9073157182179484
Energy: 1.2808645073801856
Energy: 0.9073157182179484
Energy: 1.4028019712601996
Energy: 0.845845437287876
Energy: 1.2622193810639832
Energy: 0.8458454372873175
Energy: 1.4028019712596411
Energy: 0.8458454372873175
Energy: 1.3674651716511521
Energy: 0.6984371706635939
Energy: 1.3174863429506618
Energy: 0.6984371706635939
Energy: 1.3674651716511521
Energy: 0.6984371706630356
Energy: 1.3034319645784043
Energy: 0.7658233852663772
Energy: 1.3385318689897683
Energy: 0.7658233852652603
Energy: 1.3034319645811967
Energy: 0.7658233852652603
Energy: 0.8314152303245194
Energy: 0.7913734815058092
Energy: 1.3403959816954505
Energy: 0.7913734815046924
Energy: 0.8369012530357551
Energy: 0.791373481504134
Energy: 1.3186942921930138
Energy: 0.7025975771141038
Energy: 1.317812876369807
Energy: 0.7025975771141038
Energy: 1.3186942921952476
Energy: 0.7025975771152206
Energy: 1.4425348548539991
Energy: 0.7646791284001143
Energy: 1.296513620348218
Energy: 0.7646791284006728
Energy: 1.4425348548539991
Energy: 0.7646791284006728
Energy: 1.2820700396779279
Energy: 0.7910253171547224
Energy: 1.2821655082935908
Energy: 0.791025317156956
Energy: 1.2820700396756939
Energy: 0.8265670615639005
Energy: 1.2965855762484189
Energy: 0.7648148781673786
Energy: 1.4415965463276772
Energy: 0.764814878167937
Energy: 1.2965855762489773
Energy: 0.764814878167937
Energy: 1.3182496124212562
Energy: 0.702582603336297
Energy: 1.3191125808714053
Energy: 0.7025826033379724
Energy: 1.3182496124201393
Energy: 0.7025826033379724
Energy: 1.3404563120192674
Energy: 0.7913099651535644
Energy: 0.8604214789810035
Energy: 0.7913099651535644
Energy: 1.340456312013683
Energy: 0.7913099651535644
Energy: 1.3387814205002067
Energy: 0.7657986928478523
Energy: 1.3034422731370325
Energy: 0.7657986928472938
Energy: 1.3387814205007653
Energy: 0.7657986928472938
Energy: 1.317057221977163
Energy: 0.6984201832122546
Energy: 1.3674747899498705
Energy: 0.6984201832116962
Energy: 1.317057221979955
Energy: 0.6984201832128131
Energy: 1.2621606761058421
Energy: 0.845755618347827
Energy: 1.405499166492758
Energy: 0.845755618347827
Energy: 1.262160676104725
Energy: 0.845755618347827
Energy: 1.2868345024138221
Energy: 0.907332216398136
Energy: 1.2808391709689941
Energy: 0.9073322163986944
Energy: 1.2868345024166143
Energy: 0.9073322163975774
Energy: 1.337713335365021
Energy: 0.756044489060593
Energy: 1.3621678194777471
Energy: 0.7560444890594761
Energy: 1.3377133353639041
Energy: 0.7560444890589176
Energy: 1.3314280057021513
Energy: 0.6990861687476191
Energy: 1.3855250058638418
Energy: 0.6990861687470606
Energy: 1.3314280057027097
Energy: 0.6990861687476191
Energy: 1.3728640338252285
Energy: 0.9968923746559953
Energy: 1.5761906523914828
Energy: 0.9968923746548785
Energy: 1.3728640338280207
Energy: 0.9968923746548785
Energy: 1.335251476781767
Energy: 0.6082262186143133
Energy: 1.3372130260181956
Energy: 0.6082262186143133
Energy: 1.3352514767800916
Energy: 0.6082262186143133
Energy: 1.4181784841608347
Energy: 0.9091976962021312
Energy: 1.4403518842763237
Energy: 0.9091976962015729
Energy: 1.4181784841630685
Energy: 0.9091976962015729
Energy: 1.2827883649096814
Energy: 0.8056010777379674
Energy: 1.5256482393235362
Energy: 0.8056010777385259
Energy: 1.28278836491024
Energy: 0.8056010777385259
Energy: 1.2928610317255482
Energy: 0.8892946952460387
Energy: 1.2964171424709712
Energy: 0.8892946952449218
Energy: 1.2928610317244313
Energy: 0.8892946952454802
Energy: 1.2993575016066112
Energy: 0.8011763633492319
Energy: 1.3398871513461819
Energy: 0.8011763633497904
Energy: 1.2993575016015853
Energy: 0.8011763633492319
Energy: 1.2968328106385185
Energy: 0.7889250226198086
Energy: 1.322162220042744
Energy: 0.7889250226198086
Energy: 1.2968328106418692
Energy: 0.7889250226209255
Energy: 1.3633855553814098
Energy: 0.846105917363954
Energy: 1.3459992200456998
Energy: 0.8461059173645125
Energy: 1.3633855553786176
Energy: 0.8461059173645125
Energy: 1.3057987548721912
Energy: 0.5534002667334407
Energy: 1.3069135547558284
Energy: 0.5534002667345576
Energy: 1.3057987548710743
Energy: 0.5534002667345576
Energy: 1.3967534961678587
Energy: 0.999197435511308
Energy: 1.3736810909557515
Energy: 0.9991974355107497
Energy: 1.396753329125277
Energy: 0.9991974355107497
Energy: 1.305515287818291
Energy: 0.6363474912898612
Energy: 1.3065728364572762
Energy: 0.6363474912904197
Energy: 1.3055152878188494
Energy: 0.6363474912898612
Energy: 1.363213447969969
Energy: 0.8455131636051144
Energy: 1.3459692577051112
Energy: 0.8455131636039975
Energy: 1.3632134479643845
Energy: 0.845513163604556
Energy: 1.2967279916948822
Energy: 0.7889781707282792
Energy: 1.3222110361766388
Energy: 0.7889781707299545
Energy: 1.2967279916887395
Energy: 0.7889781707299545
Energy: 1.3060840832460665
Energy: 0.8015850943005056
Energy: 1.3392682165362904
Energy: 0.8015850943005056
Energy: 1.3060840832310392
Energy: 0.8015850943005056

minimum gb energy = 0.45743200360358965 eV
minimum distance =  2.44138402088403 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.9888674979507162
Energy: 1.0281200286845769
Energy: 0.3752593258248699
Energy: 1.0281200286833054
Energy: 0.9888674979507162
Energy: 1.0281200286845769
Energy: 0.7087800504608697
Energy: 0.842872917362815
Energy: 0.7076427442856481
Energy: 0.842872917362815
Energy: 0.7087800504634121
Energy: 0.842872917362815
Energy: 0.7179379842448509
Energy: 0.9950376656905302
Energy: 0.7073808543544857
Energy: 0.9950376656905302
Energy: 0.7179379842448509
Energy: 0.9950376656905302
Energy: 0.9171407183433496
Energy: 1.042510033375389
Energy: 0.7288000896846835
Energy: 1.042510033375389
Energy: 0.9171407183433496
Energy: 1.042510033375389
Energy: 0.7053620052236609
Energy: 1.0626689009061252
Energy: 0.38253057577098215
Energy: 1.062668900904854
Energy: 0.7053620052236609
Energy: 1.062668900904854
Energy: 0.7239980271399188
Energy: 0.9647373727626786
Energy: 0.40191651872059053
Energy: 0.9647373727614073
Energy: 0.7239980271399188
Energy: 0.9647373727614073
Energy: 0.7243671648215442
Energy: 0.9647525768476054
Energy: 0.6867783508805861
Energy: 0.9647525768476054
Energy: 0.7243671648202731
Energy: 0.9647525768463341
Energy: 0.7053971870161029
Energy: 1.0432975318979676
Energy: 0.4667430538057147
Energy: 1.0432975318966964
Energy: 0.7053971870161029
Energy: 1.0432975318979676
Energy: 0.7401015356464485
Energy: 0.8054397774942776
Energy: 0.7955688699367169
Energy: 0.8054397774930064
Energy: 0.7401015356439061
Energy: 0.8054397774942776
Energy: 0.7177882526343381
Energy: 0.950002191365973
Energy: 0.7084387200336452
Energy: 0.9500021913672442
Energy: 0.7177882526343381
Energy: 0.9500021913672442
Energy: 0.7415913947563286
Energy: 0.8428729173653574
Energy: 0.7075301916750102
Energy: 0.8428729173640863
Energy: 0.7415913947550575
Energy: 0.8428729173640863
Energy: 0.9888674979507162
Energy: 1.0281200286845769
Energy: 0.3752593258248699
Energy: 1.0281200286845769
Energy: 0.9888674979507162
Energy: 1.0281200286845769
Energy: 0.7087800504621409
Energy: 0.8428729173653574
Energy: 0.7076427442856481
Energy: 0.8428729173640863
Energy: 0.7087800504621409
Energy: 0.842872917362815
Energy: 0.7179379842435797
Energy: 0.9950376656905302
Energy: 0.7073808543544857
Energy: 0.9950376656905302
Energy: 0.7179379842448509
Energy: 0.9950376656905302
Energy: 0.9171407183433496
Energy: 1.042510033375389
Energy: 0.7288000896846835
Energy: 1.0425100333766604
Energy: 0.9171407183433496
Energy: 1.042510033375389
Energy: 0.7053620052236609
Energy: 1.062668900904854
Energy: 0.7325925696422132
Energy: 1.0626689009061252
Energy: 0.7053620052236609
Energy: 1.0626689009061252
Energy: 0.7239980271399188
Energy: 0.9647373727626786
Energy: 0.40191651872059053
Energy: 0.9647373727614073
Energy: 0.7239980271386475
Energy: 0.9647373727614073
Energy: 0.7243671648215442
Energy: 0.9647525768476054
Energy: 0.6867783508793148
Energy: 0.9647525768463341
Energy: 0.7243671648202731
Energy: 0.9647525768463341
Energy: 0.7053971870161029
Energy: 1.0432975318979676
Energy: 0.46674305380698583
Energy: 1.0432975318979676
Energy: 0.7053971870161029
Energy: 1.0432975318979676

minimum gb energy = 0.3752593258248699 eV
minimum distance =  2.44504274860916 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.4091481177001248
Energy: 0.4249833936986357
Energy: 0.15111751138245041
Energy: 0.42498339369770444
Energy: 0.4091481177001248
Energy: 0.4249833936986357
Energy: 0.3587108490293114
Energy: 0.31642594427334975
Energy: 0.18861780146869875
Energy: 0.3164259442724185
Energy: 0.3587108490283802
Energy: 0.31642594427334975
Energy: 0.3701365419478919
Energy: 0.30406885720177634
Energy: 0.21661812925919358
Energy: 0.30406885720363874
Energy: 0.3701365419478919
Energy: 0.30406885720363874
Energy: 0.16481970783481248
Energy: 0.18968911359210344
Energy: 0.23027736025428427
Energy: 0.18968911359396587
Energy: 0.16481970783481248
Energy: 0.18968911359303464
Energy: 0.231485181999949
Energy: 0.5870450126244601
Energy: 0.22807680011067835
Energy: 0.5870450126244601
Energy: 0.231485181999949
Energy: 0.5870450126253912
Energy: 0.2739849903591188
Energy: 0.56854567236166
Energy: 0.2962458053077564
Energy: 0.5685456723653847
Energy: 0.27398499035818763
Energy: 0.5685456723644535
Energy: 0.21529306983670093
Energy: 0.7241908390003624
Energy: 0.29630867479363265
Energy: 0.7241908390003624
Energy: 0.21529306983670093
Energy: 0.7241908389994312
Energy: 0.2578349330408979
Energy: 0.596054048190508
Energy: -0.08328114040391564
Energy: 0.5960540481923704
Energy: 0.2578349330408979
Energy: 0.5960540481923704
Energy: 0.2547890102941056
Energy: 0.6254564552629263
Energy: 0.2841599349063584
Energy: 0.625456455261995
Energy: 0.2547890102941056
Energy: 0.6254564552638574
Energy: 0.2150461546079467
Energy: 0.3837768133356049
Energy: 0.05755693460992813
Energy: 0.3837768133365362
Energy: 0.2150461546070155
Energy: 0.38377681333374253
Energy: 0.27506152302561926
Energy: 0.5381406855805543
Energy: 0.2959921901556572
Energy: 0.5381406855824167
Energy: 0.27506152302561926
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Energy: 0.23045852490603377
Energy: 0.6580455623861675
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Energy: 0.33910598366571193
Energy: 0.3091643222721367
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Energy: 0.5887016777328917
Energy: 0.21653257279900168
Energy: 0.5887016777338229
Energy: 0.30007326816755303
Energy: 0.5887016777338229
Energy: 0.2645610010354063
Energy: 0.31744875038122233
Energy: -0.131554924332318
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Energy: 0.2645610010354063
Energy: 0.317448750384016
Energy: 0.3394963538964809
Energy: 0.4326043496040491
Energy: 0.25638356850614163
Energy: 0.4326043496049803
Energy: 0.33949635389741206
Energy: 0.4326043496049803
Energy: 0.15180655484099465
Energy: 0.31630877217838743
Energy: 0.1934347762361049
Energy: 0.3163087721774563
Energy: 0.15180655476006535
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Energy: 0.2992080513804314
Energy: 0.7316598069728396
Energy: 0.2514893942821721
Energy: 0.7316598069709772
Energy: 0.2992080513804314
Energy: 0.7316598069719085
Energy: 0.15728457293456782
Energy: 0.4094457793217126
Energy: 0.23214434517374316
Energy: 0.4094457793226438
Energy: 0.15728457293549902
Energy: 0.4094457793226438
Energy: 0.23144044410916936
Energy: 0.5862362936725336
Energy: 0.27596903429844144
Energy: 0.5862362936734647
Energy: 0.23144044410916936
Energy: 0.5862362936734647
Energy: 0.32672587215186183
Energy: 0.6569489784215506
Energy: 0.2965722474995019
Energy: 0.656948978423413
Energy: 0.32672587214720583
Energy: 0.656948978423413
Energy: 0.21531886906733533
Energy: 0.7246792893148021
Energy: 0.296123544429564
Energy: 0.7246792893148021
Energy: 0.2153188690682665
Energy: 0.7246792893157331
Energy: 0.26274629510792735
Energy: 0.5949549876062701
Energy: -0.0833596645074345
Energy: 0.5949549876044077
Energy: 0.26274629510606495
Energy: 0.5949549876034765
Energy: -0.12828367915084096
Energy: 0.6278278598721898
Energy: 0.1660772504492283
Energy: 0.6278278598721898
Energy: -0.12828367915084096
Energy: 0.6278278598721898
Energy: 0.21502207434659598
Energy: 0.48287952791951955
Energy: 0.2924642596567093
Energy: 0.4828795279176571
Energy: 0.21502207434659598
Energy: 0.48287952792045064
Energy: 0.27500524581728003
Energy: 0.5796477352245462
Energy: 0.2956505955773409
Energy: 0.5796477352245462
Energy: 0.2750052458163489
Energy: 0.5796477352245462

minimum gb energy = -0.131554924332318 eV
minimum distance =  2.43459568394043 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.478106186749282
Energy: 0.8200952018278448
Energy: 0.15369118808653304
Energy: 0.8200952018271109
Energy: 1.478106186749282
Energy: 0.8200952018271109
Energy: 0.5715742615077591
Energy: 0.7505590075192152
Energy: 0.9341216907111788
Energy: 0.7505590075192152
Energy: 0.17647977136660756
Energy: 0.7505590075199491
Energy: 0.9051390041876148
Energy: 0.8784829804269527
Energy: 0.9935039975339697
Energy: 0.8784829804276866
Energy: 0.9051390041861469
Energy: 0.8784829804276866
Energy: 1.01334922252002
Energy: 0.6851273362644189
Energy: 0.9344896100792857
Energy: 0.6851273362651528
Energy: 1.013349222519286
Energy: 0.6851273362644189
Energy: 0.8978280306051782
Energy: 0.7480534580422409
Energy: 0.5379679304281733
Energy: 0.7480534580422409
Energy: 0.8978280306059122
Energy: 0.7480534580422409
Energy: 0.9676423159092445
Energy: 0.7283571801015764
Energy: 0.9348868433015386
Energy: 0.7283571801001085
Energy: 0.9676423159085106
Energy: 0.7283571801008424
Energy: 0.8950922575634781
Energy: 0.8701695749714535
Energy: 0.9364601843407732
Energy: 0.8701695749721875
Energy: 0.8950922575634781
Energy: 0.8701695749721875
Energy: 0.9978031641701429
Energy: 0.8682788029206971
Energy: 0.9051208813767062
Energy: 0.8682788029206971
Energy: 0.9978031641708768
Energy: 0.8682788029206971
Energy: 0.9146750093514531
Energy: 0.8496808412337945
Energy: 0.9294013179690992
Energy: 0.8496808412337945
Energy: 0.914675009352921
Energy: 0.8496808412337945
Energy: 1.0361827757705808
Energy: 0.8779661341169465
Energy: 1.475222477363564
Energy: 0.8779661341162125
Energy: 1.036182775769847
Energy: 0.8779661341169465
Energy: 0.9396173958654906
Energy: 0.8767475173929912
Energy: 0.905901867481932
Energy: 0.8767475173929912
Energy: 0.9396173958662246
Energy: 0.8767475173929912
Energy: 0.9717573093280486
Energy: 0.8684651287670901
Energy: 0.9052042759650316
Energy: 0.8322862853926611
Energy: 0.9717573093273146
Energy: 0.8684651287663562
Energy: 0.9149051573492061
Energy: 0.8794342928914258
Energy: 0.9296441217501544
Energy: 0.8794342928921598
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Energy: 0.9299957813596105
Energy: 0.8640444602365139
Energy: 0.9349046646711059
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Energy: 0.7279267369664241
Energy: 0.9346441897984546
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Energy: 0.7279267369664241
Energy: 0.9294703059414058
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Energy: 0.9346570421397552
Energy: 0.8518499853597955
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Energy: 0.931469159221519
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Energy: 0.9686735490918883
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Energy: 0.931469161266076
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Energy: 0.9055727091367775
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Energy: 0.9687060302345649
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Energy: 0.9055727091375114
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Energy: 0.9296303378618241
Energy: 0.7520650381279026
Energy: 0.9352284971360436
Energy: 0.7520650381293704
Energy: 0.9296306946587625
Energy: 0.7520650381293704
Energy: 1.4750406090651864
Energy: 0.8781821228543081
Energy: 0.9402641230360672
Energy: 0.878182122855042
Energy: 1.4750406090651864
Energy: 0.878182122855776
Energy: 0.9221831205336528
Energy: 0.7458050740836718
Energy: 0.968634459196984
Energy: 0.7458050740844058
Energy: 0.9221831205241117
Energy: 0.7458050740844058
Energy: 0.9055445925674854
Energy: 0.8701140383181684
Energy: 0.9735956307743879
Energy: 0.8701140383181684
Energy: 0.9055445925674854
Energy: 0.8701140383181684
Energy: 0.9702425191099747
Energy: 0.7938026899277105
Energy: 0.9358707228525065
Energy: 0.7938026899284444
Energy: 0.970242519138565
Energy: 0.7938026899284444
Energy: 0.9294708625337856
Energy: 0.8834990621971336
Energy: 0.9699550015772883
Energy: 0.8834990621978674
Energy: 0.9294708625367215
Energy: 0.8834990621978674
Energy: 0.9678610046690714
Energy: 0.7291264201036853
Energy: 0.9364443095403087
Energy: 0.7291264201036853
Energy: 0.9678610046661356
Energy: 0.7291264201022174
Energy: 0.9298900082399161
Energy: 0.7929597154390519
Energy: 0.9376976747672485
Energy: 0.7929597154390519
Energy: 0.9298900082406499
Energy: 0.7929597154390519
Energy: 0.9981862095885401
Energy: 0.8685196945596776
Energy: 0.9054866656097187
Energy: 0.8685196945596776
Energy: 0.9981862095870722
Energy: 0.8685196945596776
Energy: 0.9721466998772988
Energy: 0.8394254389402641
Energy: 0.9323038500322536
Energy: 0.8394254389402641
Energy: 0.9721466998772988
Energy: 0.8394254389402641
Energy: 1.0409828222682285
Energy: 0.879925396990939
Energy: 1.4737034954394852
Energy: 0.879925396990939
Energy: 1.0409828222674946
Energy: 0.879925396990939
Energy: 0.937510182006176
Energy: 0.729275083032486
Energy: 0.9088726412526735
Energy: 0.729275083032486
Energy: 0.9375101820069099
Energy: 0.72927508303322
Energy: 0.9679924272772036
Energy: 0.8687084073946107
Energy: 0.9051348083117627
Energy: 0.8687084073946107
Energy: 0.9679924272779376
Energy: 0.8687084073946107
Energy: 0.9719670924144016
Energy: 0.8769294936682689
Energy: 0.929853547922172
Energy: 0.8769294936690029
Energy: 0.9719670924144016
Energy: 0.8769294936682689
Energy: 0.934939315674552
Energy: 0.8639951994087858
Energy: 0.9371578714116369
Energy: 0.8639951994087858
Energy: 0.934939315674552
Energy: 0.8639951994095197

minimum gb energy = 0.15369118808653304 eV
minimum distance =  2.47918256947862 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.8725807340409284
Energy: 0.47703109047656034
Energy: -0.321194137794724
Energy: 0.4770310904775905
Energy: 0.8725807340419586
Energy: 0.4770310904781056
Energy: 0.702691120193692
Energy: 0.2788031737085088
Energy: 0.4579152894243986
Energy: 0.2788031737085088
Energy: 1.071363905002955
Energy: 0.278803173709539
Energy: 0.868693045923355
Energy: 0.3930324326805968
Energy: 0.519028611863226
Energy: 0.3930324326805968
Energy: 0.8686930459228399
Energy: 0.3930324326811118
Energy: 1.2969398206578275
Energy: 0.20698883718682187
Energy: 0.4578689152855158
Energy: 0.20698883718579172
Energy: 1.2969398206573126
Energy: 0.20698883718579172
Energy: 0.5041367577348032
Energy: 0.4134272469335501
Energy: 0.49068584863231735
Energy: 0.413427246933035
Energy: 0.5041367577353183
Energy: 0.413427246933035
Energy: 0.8558757216489095
Energy: 0.32441312158806285
Energy: 0.460031019965618
Energy: 0.3244131215896081
Energy: 0.8558695123074729
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Energy: 0.44289018623422943
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Energy: 0.46195213004136104
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Energy: 0.4428901862337143
Energy: 0.36489768797080807
Energy: 0.26231486794343434
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Energy: 0.42178910047008317
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Energy: 0.027423246025913128
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Energy: 1.015018642199354
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Energy: 0.4461803275296363
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Energy: 0.3593220805610157
Energy: 0.4614030900244077
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Energy: 0.3593220805605007
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Energy: 0.46111035116986704
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Energy: 0.394123768961813
Energy: 0.4437194642299328
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Energy: 1.2940458877317504
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Energy: 0.6980271999849947
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Energy: 0.4619001200704533
Energy: 0.2505303859447489
Energy: 1.045237873551484
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Energy: 0.4619001200704533
Energy: 0.25053038594526394
Energy: 0.4875500209469351
Energy: 0.399768897140276
Energy: 0.8283038630270885
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Energy: 0.4875500209453899
Energy: 0.39976889714079117
Energy: 0.6563286140574808
Energy: 0.411172838825191
Energy: 1.0911125646574762
Energy: 0.41117283882982686
Energy: 0.6563286140590261
Energy: 0.4111728388231307
Energy: 0.46121571310981097
Energy: 0.3721303010348679
Energy: 0.44384194263088667
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Energy: 0.46121571311032605
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Energy: 0.4618558108054446
Energy: 0.35932208055638
Energy: 1.1105343777873402
Energy: 0.359322080556895
Energy: 0.46185581080389926
Energy: 0.3593220805574101
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Energy: 0.3716723885860155
Energy: 0.4459047506099102
Energy: 0.37167238858550034
Energy: 0.4602084052937292
Energy: 0.3716723885865305

minimum gb energy = -0.321194137794724 eV
minimum distance =  2.49533414640208 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: -0.7925129332761854
Energy: -0.48761935302669523
Energy: 0.8942712497785573
Energy: -0.48761935302634324
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Energy: 0.8912723979171171
Energy: -0.4876193530253261
Energy: -0.7925256977705685
Energy: -0.4876193530280644

minimum gb energy = -0.792787769962669 eV
minimum distance =  2.5912407452969 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: 0.26199598818015657
Energy: -0.1987441033212275
Energy: 0.26199598818254144
Energy: 0.8662465558828122
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Energy: 0.2918971553149796
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Energy: 0.1435682923125084
Energy: 0.7518249004685914
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Energy: 0.9101992012874001
Energy: 0.08376248789762095
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Energy: 0.2555608699080819
Energy: 0.86540783266175
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Energy: 0.3033060851767609
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Energy: 0.3069321036495726
Energy: 0.06025185283835711
Energy: 0.943375351903543
Energy: 0.06025185283929403
Energy: 0.30693210364769874
Energy: 0.06025185283980508
Energy: 0.30434493691623477
Energy: 0.18197330111359572
Energy: 0.43540359472611767
Energy: 0.18197330111495852
Energy: 0.30434493691623477
Energy: 0.1819733011140216
Energy: 0.30125979205290115
Energy: 0.07874199715102892
Energy: 0.9101454656202977
Energy: 0.07874199715153997
Energy: 0.30125979205383807
Energy: 0.07874199715435073
Energy: 0.3073272044714425
Energy: 0.21825607762667487
Energy: 0.5018504534405144
Energy: 0.21825607762710075
Energy: 0.3073272044714425
Energy: 0.2182560776280377
Energy: 0.30757285548245183
Energy: 0.07679374483127159
Energy: 0.5958909811230411
Energy: 0.07679374483178264
Energy: 0.30757285548194085
Energy: 0.07679374483314542
Energy: 0.5536403256544211
Energy: 0.1999622262021506
Energy: 0.46040977803853056
Energy: 0.1999622262030875
Energy: 0.5536403256571467
Energy: 0.19996222620359858

minimum gb energy = -0.4900698284285876 eV
minimum distance =  2.50081625378801 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.7278597255721104
Energy: 0.668348026304185
Energy: 0.2706880906909338
Energy: 0.668348026303542
Energy: 0.7278597255714676
Energy: 0.668348026302256
Energy: 0.08009688602343848
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Energy: 0.08009707098816297
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Energy: 0.1789458025176564
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Energy: 0.6808149158900252
Energy: 0.5695909465207415
Energy: 0.32208196319075877
Energy: 0.5343384562372925
Energy: 0.1772727114268829
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Energy: 0.32208196319140175
Energy: 0.5343384562398643
Energy: 0.37397252009771426
Energy: 0.503535558179989
Energy: 0.2646764530486413
Energy: 0.503535558179346
Energy: 0.37397252009707127
Energy: 0.503535558179989
Energy: 0.31292076219122233
Energy: 0.5688342397788755
Energy: 0.3188089672960613
Energy: 0.5688342397775896
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Energy: 0.36040791235138864
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Energy: 0.06056212643410609
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Energy: 0.36040791235331754
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Energy: 0.16946670068252162
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Energy: 0.018262022002823928
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Energy: 0.5352176936176383
Energy: 0.6046340118633533
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Energy: 0.16614403377993903
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Energy: -0.07218820395677521
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Energy: 0.35569875369796944
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Energy: 0.314651253694886
Energy: 0.5541714984294688
Energy: 0.3770924350554018
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Energy: 0.31465125369424307
Energy: 0.5541714984301118
Energy: 0.009982211287512865
Energy: 0.08536155844218049
Energy: 0.35171296081836495
Energy: 0.0853615584383812
Energy: 0.009982211698188389
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Energy: 0.3182964436434614
Energy: 0.6125376351516694
Energy: 0.3481458950676742
Energy: 0.6125376351510263
Energy: 0.31829644364281834
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Energy: 0.31686956079698836
Energy: 0.6157449778105369
Energy: 0.3372513481288984
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Energy: 0.31686956079634543
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Energy: 0.3527167740201093
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Energy: 0.3527167740181804
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Energy: 0.49318962281256196
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Energy: 0.4931896228099901
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Energy: 0.3739331629647369
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Energy: 0.05179539214488084
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Energy: 0.34972211064653347
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Energy: 0.058268580360071535
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Energy: 0.2961504615153079
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Energy: 0.05826858036135745
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Energy: 0.3171342649393429
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Energy: 0.5595268259257439
Energy: 0.3171342649419147
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Energy: 0.31726611905633817
Energy: 0.49566356108221304
Energy: 0.3471714770738567
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Energy: 0.3172661190576241
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Energy: 0.08536155844282345
Energy: 0.3497460674401442
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Energy: 0.3090271126420538
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Energy: 0.3791049528577372
Energy: 0.4945239634789659
Energy: 0.31281459010109136
Energy: 0.4945239634783229
Energy: -0.08274094996463932
Energy: 0.46472149791872336
Energy: 0.320644389258534
Energy: 0.4647214979180804
Energy: -0.08274094996528228
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Energy: 0.16635283681991705
Energy: 0.535880864427147
Energy: 0.6035500710458513
Energy: 0.5358808644245752
Energy: 0.16635283681991705
Energy: 0.5358808644252181
Energy: 0.16780458819472924
Energy: -0.1041334840748098
Energy: 0.2873855754241563
Energy: -0.10413348407288092
Energy: 0.16780458819472924
Energy: -0.10413348407223795
Energy: 0.24753179286440752
Energy: 0.631960146480324
Energy: 0.37740433711250665
Energy: 0.6319601464809669
Energy: 0.24753179286376453
Energy: 0.6319601464816098
Energy: 0.17414821098620373
Energy: 0.645619093996428
Energy: 0.6038936808373706
Energy: 0.645619093998357
Energy: 0.17414821098298894
Energy: 0.6456190939970711
Energy: 0.026345744900262306
Energy: 0.4889880874266655
Energy: 0.3471650407608092
Energy: 0.48898808742602257
Energy: 0.026345744902834145
Energy: 0.4889880874266655
Energy: 0.3467954482069505
Energy: 0.5404084066902698
Energy: 0.05846289712964529
Energy: 0.5404084066876981
Energy: 0.3467954482069505
Energy: 0.5404084066876981

minimum gb energy = -0.11890868549848084 eV
minimum distance =  2.42393306369709 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.2002334289211203
Energy: 0.8901579788742483
Energy: 1.0908264357151203
Energy: 0.8901579788734586
Energy: 1.2002334289203305
Energy: 0.8901579788742483
Energy: 0.9412318696557956
Energy: 0.6017224308645623
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Energy: 0.9753899711767341
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Energy: 1.0908721524488623
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Energy: 0.9753899711743647
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Energy: 0.9435668806871517
Energy: 0.6645128142740946
Energy: 0.9482531066819333
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Energy: 0.9435668806871517
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Energy: 0.9571182237859429
Energy: 0.6461469831791085
Energy: 0.41458347617575486
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Energy: 0.9446525462385458
Energy: 0.6187085811361495
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Energy: 0.945096975995225
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Energy: 0.7357019005318457
Energy: 0.9692355465514113
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Energy: 0.9871206277886551
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Energy: 0.6354623002655853
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Energy: 0.9454034578978501
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Energy: 0.9494563216221449
Energy: 0.741937217604369
Energy: 0.9389778748412179
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Energy: 1.0196882145678783
Energy: 0.8671518608732588
Energy: 0.9693879105593513
Energy: 0.8671518608732588
Energy: 1.0196882145678783
Energy: 0.8671518608740486
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Energy: 0.7203414920098443
Energy: 0.6191144554140288
Energy: 0.7203414920090545
Energy: 0.9421414807627768
Energy: 0.7203414920098443
Energy: 1.024210651799164
Energy: 0.8565731170357888
Energy: 0.9514650717590902
Energy: 0.8565731170357888
Energy: 1.0242106517999539
Energy: 0.8565731170357888
Energy: 0.9314397270431084
Energy: 0.6174326758835735
Energy: 0.9541250838167094
Energy: 0.6174326758827838
Energy: 0.9314397270399494
Energy: 0.6174326758827838
Energy: 0.9409324486087908
Energy: 0.7541149196199499
Energy: 0.9507546218582533
Energy: 0.7541149196207397
Energy: 0.9409324486095806
Energy: 0.7541149196199499
Energy: 0.9374158446345382
Energy: 0.8034058667073006
Energy: 0.9519230602784079
Energy: 0.8034058667065109
Energy: 0.9374158446677081
Energy: 0.8034058667065109
Energy: 0.9789053643106396
Energy: 0.7888019247901257
Energy: 0.9366194112388457
Energy: 0.7888019247901257
Energy: 0.9789054189251307
Energy: 0.7888019247909154
Energy: 0.9753625250639674
Energy: 0.8663998460695581
Energy: 0.9365831897037845
Energy: 0.8663998460695581
Energy: 0.9753625235396229
Energy: 0.8663998460711377
Energy: 0.9406918615540528
Energy: 0.8408924557641377
Energy: 1.02509332037518
Energy: 0.8408924557641377
Energy: 0.9406918615540528
Energy: 0.8408924557641377
Energy: 0.9376685647910572
Energy: 0.8720652485116969
Energy: 0.9520832881275794
Energy: 0.8720652485116969
Energy: 0.9376685647981651
Energy: 0.8720652485116969
Energy: 1.0206250799599388
Energy: 0.6178124659663596
Energy: 0.9519146314774146
Energy: 0.6178124659655698
Energy: 1.0206250799599388
Energy: 0.61781246596478
Energy: 1.0231872694060438
Energy: 0.8723385741078764
Energy: 0.9331846667481554
Energy: 0.8723385741086662
Energy: 1.0231872694044646
Energy: 0.8723385741086662
Energy: 0.9359712762444213
Energy: 0.7425651502685235
Energy: 1.0267257213070662
Energy: 0.7425651502685235
Energy: 0.9359712762444213
Energy: 0.7425651502685235
Energy: 0.9404547902207342
Energy: 0.9303154071899177
Energy: 0.9728698557820609
Energy: 0.9303154071899177
Energy: 0.9404547902207342
Energy: 0.9303154071899177
Energy: 0.9443424253772221
Energy: 0.7420242975484665
Energy: 0.9400046188735376
Energy: 0.7420242975484665
Energy: 0.9443424253788016
Energy: 0.7420242975484665
Energy: 0.9412829154577653
Energy: 0.8610824111639392
Energy: 0.9551961996702109
Energy: 0.8610824111631495
Energy: 0.9412829154577653
Energy: 0.861082411164729
Energy: 0.9483701712843052
Energy: 0.7858571435367733
Energy: 0.9701802613496485
Energy: 0.7858571435367733
Energy: 0.9483701712843052
Energy: 0.7858571435367733
Energy: 0.9846768273870092
Energy: 0.7359721601480603
Energy: 0.9685109665245847
Energy: 0.7359721601480603
Energy: 0.9846768273870092
Energy: 0.7359721601488501
Energy: 0.9468469392475314
Energy: 0.7541528317092112
Energy: 0.9406552523092396
Energy: 0.7541528317084214
Energy: 0.9468469392483212
Energy: 0.7541528317084214
Energy: 0.9528990881335256
Energy: 0.6171680589278671
Energy: 0.9491002243498504
Energy: 0.6171680589270773
Energy: 0.9528990881327357
Energy: 0.6171680589270773

minimum gb energy = 0.41458347617575486 eV
minimum distance =  2.50768845278367 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.1568381991739929
Energy: 1.0135641950010457
Energy: 1.1972679651056854
Energy: 1.013564195000023
Energy: 1.1568381991862637
Energy: 1.0135641950010457
Energy: 1.1059274374827546
Energy: 1.0716019953541571
Energy: 1.113332284947154
Energy: 1.0716019953541571
Energy: 1.1059274374827546
Energy: 1.0716019953531346
Energy: 1.107326922835032
Energy: 0.9820363127368777
Energy: 1.2827436988010288
Energy: 0.9820363127368777
Energy: 1.1073269228360545
Energy: 0.9820363127368777
Energy: 1.0965606092103408
Energy: 0.9494635391601185
Energy: 1.0968154519830224
Energy: 0.9494635391601185
Energy: 1.0965606092103408
Energy: 0.9494635391611411
Energy: 1.1099564808594138
Energy: 0.873034566820756
Energy: 1.0982720837269946
Energy: 0.873034566820756
Energy: 1.109956480858391
Energy: 0.873034566820756
Energy: 1.2837229239324408
Energy: 0.9548374859995378
Energy: 1.1083035263498646
Energy: 0.9548374859985151
Energy: 1.2837229239324408
Energy: 0.9548374859974925
Energy: 1.1007367239204784
Energy: 0.9837029544615271
Energy: 1.0948348171820843
Energy: 0.9837029544605045
Energy: 1.1007367239204784
Energy: 0.9837029544605045
Energy: 1.100400246627754
Energy: 0.9950873993007602
Energy: 1.156862639377405
Energy: 0.9950873993007602
Energy: 1.100400246629799
Energy: 0.9950873993007602
Energy: 1.1108614756634378
Energy: 1.0664271165734112
Energy: 0.3798137532126077
Energy: 1.0664271165723882
Energy: 1.1108614756644604
Energy: 1.0664271165723882
Energy: 1.197278719723277
Energy: 0.9640486236549081
Energy: 1.1079907205974755
Energy: 0.9640486236549081
Energy: 1.197278719723277
Energy: 0.9640486236549081
Energy: 1.1003018920473882
Energy: 0.9325924741430772
Energy: 1.1974583614663097
Energy: 0.9325924741430772
Energy: 1.1003018920473882
Energy: 0.9325924741440997
Energy: 1.2033646403009364
Energy: 0.9946896236673839
Energy: 1.1142968858987237
Energy: 0.9946896236673839
Energy: 1.2033646403019589
Energy: 0.9946896236673839
Energy: 1.085181280144147
Energy: 0.9545126525388845
Energy: 0.4193445880182572
Energy: 0.9545126525388845
Energy: 1.0851812801401028
Energy: 0.9545126525399071
Energy: 1.085395839842473
Energy: 0.9679237428244265
Energy: 1.0976305922882634
Energy: 0.9679237428254491
Energy: 1.0853941469400283
Energy: 0.9679237428244265
Energy: 0.538878635176551
Energy: 0.9944350454281701
Energy: 1.1006847427106015
Energy: 0.9944350454281701
Energy: 0.21378595606021242
Energy: 0.9944350454291926
Energy: 1.1901506791213439
Energy: 1.0440505663722843
Energy: 1.103407227579063
Energy: 1.0440505663722843
Energy: 1.190150679141795
Energy: 1.0440505663712618
Energy: 1.0850635457615578
Energy: 0.9941736059866916
Energy: 1.100634447141991
Energy: 0.9941736059866916
Energy: 1.085063545785077
Energy: 0.9941736059866916
Energy: 1.0982565701562326
Energy: 0.9931525656295331
Energy: 1.0983796754333597
Energy: 0.9931525656295331
Energy: 1.0982565701593
Energy: 0.9931525656305558
Energy: 1.1006044567005226
Energy: 0.9942786622118399
Energy: 1.0849472632929493
Energy: 0.9942786622128627
Energy: 1.1006044567015454
Energy: 0.9942786622108176
Energy: 1.1011058743368178
Energy: 1.0440365579837865
Energy: 1.2034671938562167
Energy: 1.0440365579837865
Energy: 1.101105874335795
Energy: 1.0440365579837865
Energy: 1.1006548919300487
Energy: 0.9943974667399201
Energy: 0.21495532080272495
Energy: 0.9943974667399201
Energy: 1.1006548919300487
Energy: 0.9943974667388976
Energy: 1.097945239281729
Energy: 0.9645655028920205
Energy: 0.21493951118794855
Energy: 0.9645655028930432
Energy: 1.0979452392827516
Energy: 0.9645655028940655
Energy: 1.1913959183056573
Energy: 0.9548291028284968
Energy: 1.0852127287243523
Energy: 0.9548291028284968
Energy: 1.1913959183056573
Energy: 0.9548291028295193
Energy: 1.1146169343745909
Energy: 0.9946874927247846
Energy: 1.2034775008379948
Energy: 0.9946874927247846
Energy: 1.1146169343756136
Energy: 0.9946874927247846

minimum gb energy = 0.21378595606021242 eV
minimum distance =  2.51600391547992 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.8916026441816108
Energy: 0.8331239697526391
Energy: 0.9282163812653744
Energy: 0.8331239697511928
Energy: 0.8916026441801645
Energy: 0.8331239697511928
Energy: 0.5265649964081704
Energy: 0.5419820031551179
Energy: 0.5139807598766226
Energy: 0.5419820031536718
Energy: 0.5265649964052781
Energy: 0.5419820031551179
Energy: 0.5277132342384465
Energy: 0.5457188770014161
Energy: 0.600135218170182
Energy: 0.5457188769927392
Energy: 0.5277132342384465
Energy: 0.5457188769999698
Energy: 0.5163934878562201
Energy: 0.9159075540545666
Energy: 0.5249378278983761
Energy: 0.9159075540545666
Energy: 0.5163934878547739
Energy: 0.9159075540560127
Energy: 0.5175138128784251
Energy: 0.5169398331253192
Energy: 0.5176599560139709
Energy: 0.516939833123873
Energy: 0.5175138128784251
Energy: 0.5169398331253192
Energy: 0.5162941881135247
Energy: 0.4786119945665439
Energy: 0.48283212100775513
Energy: 0.4786119945665439
Energy: 0.5162941881135247
Energy: 0.4786119945665439
Energy: 0.5131114298431636
Energy: 0.37031745716822584
Energy: 0.5294406348641375
Energy: 0.37031745716822584
Energy: 0.5131114298431636
Energy: 0.37031745716967196
Energy: 0.6009363250136408
Energy: 1.1719198631898806
Energy: 0.5250070873692957
Energy: 1.1719198631898806
Energy: 0.6009363250136408
Energy: 1.1719198631898806
Energy: 0.5221476122038721
Energy: 0.7517258877603065
Energy: 0.5555946299600998
Energy: 0.7517258877588603
Energy: 0.522147612205318
Energy: 0.7517258877588603
Energy: 0.67169078329256
Energy: 0.5657804673314047
Energy: 0.5137843136070088
Energy: 0.5657804673299586
Energy: 0.6716907832940062
Energy: 0.5657804673299586
Energy: 0.8806524963823512
Energy: 0.7645145314742052
Energy: 0.5151330642716894
Energy: 0.7645145314742052
Energy: 0.8806524963823512
Energy: 0.7645145314727592
Energy: 0.601768236628626
Energy: 0.6544598222323662
Energy: 0.5135266409678853
Energy: 0.6544598222323662
Energy: 0.6017682366271799
Energy: 0.65445982223092
Energy: 0.522859779612578
Energy: 1.1699220470678506
Energy: 0.6017949342410718
Energy: 1.1699220470664045
Energy: 0.522859779611132
Energy: 1.1699220470664045
Energy: 0.5159356437549174
Energy: 1.0207562397805852
Energy: 0.5203348394429942
Energy: 1.0207562397805852
Energy: 0.5159356437549174
Energy: 1.0207562397805852
Energy: 0.5135068230536164
Energy: 0.9494933871212121
Energy: 0.48924690045693764
Energy: 0.9494933871212121
Energy: 0.5135068230536164
Energy: 0.9494933871197659
Energy: 0.5154481218848227
Energy: 0.839021160549645
Energy: 0.48560585468247636
Energy: 0.839021160549645
Energy: 0.5154481218862689
Energy: 0.839021160549645
Energy: 0.5159167635564224
Energy: 0.6539571997963984
Energy: 0.5177828816091384
Energy: 0.6539571997963984
Energy: 0.5159167635578685
Energy: 0.6539571997963984

minimum gb energy = 0.37031745716822584 eV
minimum distance =  2.45577861992655 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.5833646288461918
Energy: 1.079598461585948
Energy: 0.31211155943124896
Energy: 1.0795984615870649
Energy: 1.5833646288473087
Energy: 1.079598461585948
Energy: 1.0795854052572391
Energy: 0.6448527139755806
Energy: 0.8181579749583976
Energy: 0.6448527139778145
Energy: 1.0795854059851462
Energy: 0.6448527139778145
Energy: 0.9316763534291762
Energy: 0.8667252398523941
Energy: 0.8332539433592089
Energy: 0.8667252398501603
Energy: 0.9316763534291762
Energy: 0.8667252398518357
Energy: 0.7816902850288816
Energy: 1.039569930540121
Energy: 1.1543519933042536
Energy: 1.039569930540121
Energy: 0.7816902850277646
Energy: 1.0395699305406794
Energy: 0.8199167588090751
Energy: 0.6651026163074223
Energy: 1.2805758961928706
Energy: 0.665102616309656
Energy: 0.8199167588107505
Energy: 0.6651026163074223
Energy: 0.7884910502204039
Energy: 1.058608757686327
Energy: 1.2772690725076272
Energy: 1.0586087576852101
Energy: 0.7884910717277329
Energy: 1.058608757686327
Energy: 0.819446569505991
Energy: 0.9753164394653219
Energy: 1.1300043651653404
Energy: 0.9753164394675555
Energy: 0.8194465695065495
Energy: 0.9753164394653219
Energy: 1.1038927786800021
Energy: 0.844397936249641
Energy: 0.8180116762763413
Energy: 0.8443979362490825
Energy: 1.10389277868782
Energy: 0.8443979362490825
Energy: 1.2795742331389308
Energy: 1.0966230782441488
Energy: 0.7813573941780894
Energy: 1.0966230782452657
Energy: 1.2795742331394893
Energy: 1.0966230782452657
Energy: 1.0884680207945137
Energy: 0.6527259941917626
Energy: 0.8206972788398333
Energy: 0.8761503562563178
Energy: 1.0884680207928383
Energy: 0.6527259941895287
Energy: 1.15698315410324
Energy: 0.9629340473338395
Energy: 1.2878754538484474
Energy: 0.9629340473338395
Energy: 1.15698315410324
Energy: 0.9629340473338395
Energy: 0.7790999865859941
Energy: 1.0800724521170748
Energy: 0.9369332684897177
Energy: 1.0800724521153997
Energy: 0.7790999865854357
Energy: 1.0800724521165166
Energy: 0.8233592135884842
Energy: 0.9209925738781789
Energy: 1.1450350302954655
Energy: 0.9209925738792958
Energy: 0.8233592135879257
Energy: 0.9209925738787373
Energy: 0.7767888914318792
Energy: 1.0878088669772017
Energy: 1.5861990690926586
Energy: 1.0878088669772017
Energy: 0.7767888914318792
Energy: 1.0878088669766433
Energy: 0.774388704243222
Energy: 1.0778439731063871
Energy: 1.1032485065003739
Energy: 1.0778439731063871
Energy: 0.7743887042437805
Energy: 1.0778439731069456
Energy: 1.1649991315289956
Energy: 1.0702845942459898
Energy: 0.9386926835515327
Energy: 1.0702845942471066
Energy: 1.164999131526762
Energy: 0.8444243758545376
Energy: 1.1604024370261317
Energy: 0.8672039522721423
Energy: 0.7806851566077639
Energy: 0.8672039522738175
Energy: 1.1604024370250148
Energy: 0.8672039522715839
Energy: 1.5117079535507183
Energy: 1.050419712319663
Energy: 0.7743262613099857
Energy: 1.0504197123185461
Energy: 1.511707953549043
Energy: 1.0504197123191046
Energy: 1.5141820585615835
Energy: 0.962363672488455
Energy: 0.827971481541063
Energy: 0.962363672488455
Energy: 1.5141820585627004
Energy: 0.9623636724890136
Energy: 0.8215207681508896
Energy: 1.1069761072645092
Energy: 0.8214838804352883
Energy: 1.1069761072633924
Energy: 0.8215207681503311
Energy: 0.9104109371865542
Energy: 0.8279605441910888
Energy: 0.9625185683152617
Energy: 1.2957376718459683
Energy: 0.9625185683152617
Energy: 0.8279605441905303
Energy: 0.962518568314145
Energy: 0.7743638130681437
Energy: 1.0504031352696228
Energy: 1.5117248838912403
Energy: 1.050403135270181
Energy: 0.774363813067027
Energy: 1.0504031352696228
Energy: 0.7757277723079484
Energy: 0.8672781353304936
Energy: 1.16037047285581
Energy: 0.8672781353316105
Energy: 0.7757277723085068
Energy: 0.8672781353304936
Energy: 0.938735608977627
Energy: 0.957726521744271
Energy: 1.1650223820002583
Energy: 0.9577265217431542
Energy: 0.9387356089781853
Energy: 0.9577265217437126
Energy: 1.103289848337988
Energy: 1.077691601780737
Energy: 0.779286985951775
Energy: 1.0776916017812954
Energy: 1.1032898483363127
Energy: 1.0776916017801783
Energy: 1.586362585150116
Energy: 1.0877936577296732
Energy: 0.7767948518639345
Energy: 1.0877936577302316
Energy: 1.586362585150116
Energy: 1.0877936577296732
Energy: 1.144693513863158
Energy: 0.920942468700038
Energy: 0.8233908604021578
Energy: 0.9209424687016624
Energy: 1.1446935138648335
Energy: 0.9209424687011041
Energy: 0.9369774218816946
Energy: 1.0801510691141316
Energy: 0.7788343294171468
Energy: 1.0801510691152485
Energy: 0.9369774218816946
Energy: 1.0801510691163654
Energy: 1.287884338432137
Energy: 0.96296633220767
Energy: 1.1569987787752773
Energy: 0.9629663322065531
Energy: 1.2878843384326955
Energy: 0.9629663322065531
Energy: 0.8207058210954116
Energy: 0.652725994192321
Energy: 1.087373039600687
Energy: 0.6527259941934378
Energy: 0.8207058210959701
Energy: 0.6527259941928794
Energy: 0.7813499016042191
Energy: 1.0966083613367812
Energy: 1.2794081990939652
Energy: 1.096608361335664
Energy: 0.7813499016047776
Energy: 1.0966083613367812
Energy: 0.8180168395403958
Energy: 0.8445216938096084
Energy: 1.1037830296355553
Energy: 0.84452169380905
Energy: 0.8180168395403958
Energy: 0.8445216938084915
Energy: 1.1301259010727112
Energy: 0.9754308484126551
Energy: 0.8194597010732407
Energy: 0.9754308484115383
Energy: 1.130125901073828
Energy: 0.9754308484126551
Energy: 1.2772842313617172
Energy: 1.0586509140540887
Energy: 0.7885832105691755
Energy: 1.0586509140540887
Energy: 1.2772842313611588
Energy: 1.0586509140540887
Energy: 1.2805824120396363
Energy: 0.6651026163107729
Energy: 0.8199371771095174
Energy: 0.6651026163107729
Energy: 1.2805824058029263
Energy: 0.665102616309656
Energy: 1.1540880390005115
Energy: 1.0394449835655855
Energy: 0.7816301352526662
Energy: 1.0394449835655855
Energy: 1.1540880389993946
Energy: 1.0394449835655855
Energy: 0.8333331266847619
Energy: 0.8668255526662675
Energy: 0.9316559914569166
Energy: 0.8668255526701766
Energy: 0.8333331266869957
Energy: 0.8668255526668259
Energy: 0.8181696323464305
Energy: 0.6446413163875975
Energy: 1.0799350190868748
Energy: 0.6446413163864806
Energy: 0.8181696323469889
Energy: 0.644641316388156
Energy: 1.0351405680008148
Energy: 1.079598461585948
Energy: 1.5833646288473087
Energy: 1.0795984615865064
Energy: 1.035140568003607
Energy: 1.0795984615876233
Energy: 0.8181579749572808
Energy: 0.6448527139750221
Energy: 1.079585405773039
Energy: 0.6448527139750221
Energy: 0.8181579749583976
Energy: 0.6448527139744636
Energy: 0.8332539433614427
Energy: 0.8667252398507188
Energy: 0.9316763534280593
Energy: 0.8667252398507188
Energy: 0.8332539433597673
Energy: 0.8667252398529526
Energy: 1.154351993304812
Energy: 1.039569930540121
Energy: 0.7816902850288816
Energy: 1.0395699305406794
Energy: 1.1543519933036952
Energy: 1.0395699305406794
Energy: 1.2805756950679028
Energy: 0.6651026163085391
Energy: 0.8199167588090751
Energy: 0.6651026163085391
Energy: 1.2805759555582308
Energy: 0.6651026163102145

minimum gb energy = 0.31211155943124896 eV
minimum distance =  2.45242247414444 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.64787527766897
Energy: 0.7610521515032739
Energy: 0.44370324787216525
Energy: 0.7610521515041831
Energy: 0.6478752776662421
Energy: 0.7610521515050924
Energy: 0.28590109469432845
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Energy: 0.016250708876669614
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Energy: 0.10723198174291426
Energy: 0.6155312856558455
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Energy: 0.016501965758221843
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Energy: 0.062069881549615714
Energy: 0.3531604005399034
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Energy: 0.3531604005389941
Energy: 0.062069881548706435
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Energy: 0.2796766504617805
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Energy: 0.01650951514078025
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Energy: 0.27907499801683155
Energy: -0.27919503281779384
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Energy: 0.015754356140818958
Energy: 0.38345371785898374
Energy: -0.281032947526973
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Energy: 0.015754356140818958
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Energy: 0.6477226091392818
Energy: 0.7489580373909637
Energy: -0.2790593005697813
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Energy: 0.6477226091392818
Energy: 0.7489580373936916
Energy: 0.682235910559649
Energy: 0.2789712932837021
Energy: -0.2801498283674942
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Energy: 0.6822359105578305
Energy: 0.27897129328552067
Energy: 0.01578421391454846
Energy: 0.2001990177025725
Energy: 0.3255734378791647
Energy: 0.2001990177034818
Energy: 0.015784213913639177
Energy: 0.2001990177025725
Energy: 0.35891980476008933
Energy: 0.13421000813858588
Energy: 0.325042131207268
Energy: 0.1342100081431323
Energy: 0.35891980475918006
Energy: 0.13421000814131376
Energy: 0.015555546821744884
Energy: 0.4115018096692878
Energy: 0.3547898354792258
Energy: 0.4115018096656507
Energy: 0.015555546823563447
Energy: 0.4115018096656507
Energy: 0.015502902053716463
Energy: 0.2008055070043291
Energy: 0.3262952334801844
Energy: 0.2008055070079662
Energy: 0.015502902053716463
Energy: 0.20080550700978475
Energy: 0.01568143519245832
Energy: 0.279244979945175
Energy: -0.2797698466493669
Energy: 0.27924497994972136
Energy: 0.01568143519245832
Energy: 0.27924497994972136
Energy: 0.6491358473718953
Energy: 0.6945152074008564
Energy: -0.28064554583589163
Energy: 0.6945152074035842
Energy: 0.6491358473737139
Energy: 0.6945152073999471
Energy: 0.3912263410439349
Energy: 0.5160193921103852
Energy: -0.28067433770223404
Energy: 0.5160193921058387
Energy: 0.39122634103847914
Energy: 0.516019392106748
Energy: 0.015720982870469493
Energy: 0.27897217419537096
Energy: -0.2800047421626412
Energy: 0.2789721741944617
Energy: 0.015720982870469493
Energy: 0.2789721741944617
Energy: 0.01499547721213138
Energy: 0.20208017635939776
Energy: 0.3246858896018137
Energy: 0.2020801763621256
Energy: 0.014995477214859224
Energy: 0.20208017636030706

minimum gb energy = -0.2827684289939144 eV
minimum distance =  2.451487411587 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.463326283309425
Energy: 1.2123026064070994
Energy: 1.2779866569237102
Energy: 1.2123026064070994
Energy: 1.4633262833100875
Energy: 1.2123026064070994
Energy: 1.2470725094807165
Energy: 0.6298506010794348
Energy: 1.0346341842642648
Energy: 0.6298506010794348
Energy: 1.247072509481379
Energy: 0.6298506010787722
Energy: 1.0335726971648218
Energy: 0.9799321615390204
Energy: 1.136886649720489
Energy: 0.9799321615390204
Energy: 1.0335726971654846
Energy: 0.9799321615390204
Energy: 1.2805688557211035
Energy: 1.2675646035019315
Energy: 1.3264444500839896
Energy: 1.267564603499944
Energy: 1.2805688557138157
Energy: 1.2675646035006063
Energy: 1.034315057821825
Energy: 0.6513272970905293
Energy: 1.4165821397852942
Energy: 0.6513272970892043
Energy: 1.034315057821825
Energy: 0.6513272970905293
Energy: 1.515950399526917
Energy: 0.8418947735024744
Energy: 1.0693716718179558
Energy: 0.841894773503137
Energy: 1.5159503995222794
Energy: 0.841894773503137
Energy: 1.0698313824378978
Energy: 1.129146468396261
Energy: 0.9695016450146697
Energy: 1.129146468396261
Energy: 1.0698313824378978
Energy: 1.1291464683955985
Energy: 1.2527020546173966
Energy: 0.6465460626308831
Energy: 1.043795540838243
Energy: 0.6465460626322082
Energy: 1.2527020546167342
Energy: 0.6465460626295582
Energy: 1.326256302315089
Energy: 1.3295093093755201
Energy: 1.3700938940515819
Energy: 1.3295093093761825
Energy: 1.3262563023164142
Energy: 1.3295093093755201
Energy: 1.163579907908667
Energy: 1.01035164243169
Energy: 1.0354038642130947
Energy: 1.01035164243169
Energy: 1.1635799079080045
Energy: 1.01035164243169
Energy: 1.0359809085250318
Energy: 0.9081004791666528
Energy: 1.5348204279980031
Energy: 0.9081004791666528
Energy: 1.0359809085250318
Energy: 0.9081004791666528
Energy: 0.9690049099743591
Energy: 1.0962837143017166
Energy: 1.4219532061499325
Energy: 1.096283714302379
Energy: 0.9690049099750214
Energy: 1.0962837143017166
Energy: 1.0397082087961713
Energy: 0.6315496631178947
Energy: 1.27770759459498
Energy: 0.6315496631178947
Energy: 1.039708208796834
Energy: 0.6315496631178947
Energy: 1.5457818969513368
Energy: 0.8863039454060226
Energy: 1.0360346042382602
Energy: 0.8863039454073478
Energy: 1.5457818969513368
Energy: 0.8863039454073478
Energy: 1.3270133182717305
Energy: 1.046676087077847
Energy: 0.9707382862401711
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Energy: 1.327013318272393
Energy: 1.0466760870785095
Energy: 1.3017554893192123
Energy: 1.1478454882474192
Energy: 1.0386108151468851
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Energy: 1.3017554893205376
Energy: 1.1478454882474192
Energy: 1.075759994411401
Energy: 0.9726268426789243
Energy: 1.2714632187328236
Energy: 0.9726268426795869
Energy: 1.075759994411401
Energy: 0.9726268426802492
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Energy: 1.0203535865194273
Energy: 1.074955014536887
Energy: 1.02035358652009
Energy: 0.9742981881052359
Energy: 1.020353586518765
Energy: 0.9708992029603255
Energy: 0.896558908870911
Energy: 1.3428444988564792
Energy: 0.8965589088702485
Energy: 0.9708992029590005
Energy: 0.8965589088702485
Energy: 1.0408219367192677
Energy: 1.079575906883953
Energy: 1.3288419248696934
Energy: 1.079575906883953
Energy: 1.0408219367205926
Energy: 1.079575906882628
Energy: 1.034928743096153
Energy: 0.7864697911089663
Energy: 0.9698736441471386
Energy: 0.7864697911076414
Energy: 1.034928743096153
Energy: 0.7864697911102914
Energy: 1.5428965548533118
Energy: 0.9719507385847894
Energy: 1.0416729981699426
Energy: 0.9719507385847894
Energy: 1.5428965548533118
Energy: 0.9719507385841268
Energy: 1.756901462847525
Energy: 1.08667508015935
Energy: 0.9702008506584783
Energy: 1.08667508015935
Energy: 1.756901462847525
Energy: 1.0866750801586877
Energy: 1.0413647510346142
Energy: 1.1759663789717598
Energy: 0.9676924215025363
Energy: 1.1759663789717598
Energy: 1.0413647510366018
Energy: 1.1759663789724222
Energy: 1.0350909835057664
Energy: 1.08222004896617
Energy: 1.3307178289345125
Energy: 1.0822200489648448
Energy: 1.035090983507754
Energy: 1.08222004896617
Energy: 0.9741833187746483
Energy: 1.0475185528837168
Energy: 1.3298183196582867
Energy: 1.0475185528830542
Energy: 0.9741833187746483
Energy: 1.0475185528830542
Energy: 0.9707421788470131
Energy: 1.1405979514399822
Energy: 1.3016424083139329
Energy: 1.1405979514413072
Energy: 0.9707421788470131
Energy: 1.1405979514406448
Energy: 1.30199049169709
Energy: 1.353848965037654
Energy: 1.301601598697559
Energy: 1.353848965038316
Energy: 1.3019904916977525
Energy: 1.353848965038316
Energy: 1.3017181463098184
Energy: 1.1406408504075252
Energy: 0.9950710201675325
Energy: 1.1406408504075252
Energy: 1.3017181463104808
Energy: 1.1406408504075252
Energy: 1.3297551936954781
Energy: 1.047718779602153
Energy: 0.9742736546907343
Energy: 1.0477187796014906
Energy: 1.3297551936974656
Energy: 1.0477187796014906
Energy: 1.3300076720402765
Energy: 1.0815740428333582
Energy: 1.0350856341783021
Energy: 1.0815740428333582
Energy: 1.3300076720442515
Energy: 1.0815740428333582
Energy: 0.9675739950629814
Energy: 1.1759816824215787
Energy: 1.0416240574989601
Energy: 1.1759816824222413
Energy: 0.9675739950629814
Energy: 1.1759816824229037
Energy: 0.9703474327797889
Energy: 1.086846305735065
Energy: 1.4560764231703043
Energy: 1.0868463057357274
Energy: 0.9703474327797889
Energy: 1.08684630573639
Energy: 1.0382095664957594
Energy: 0.9719683286091123
Energy: 1.5430882348179875
Energy: 0.9719683286104372
Energy: 1.0382095664970845
Energy: 0.9719683286097747
Energy: 0.9700671293070652
Energy: 0.7865260454613932
Energy: 1.0351983686982187
Energy: 0.7865260454600681
Energy: 0.9700671293097154
Energy: 0.786526045458743
Energy: 1.3288191053916323
Energy: 1.079585881501786
Energy: 1.0403209418337394
Energy: 1.0795858815037733
Energy: 1.3288191053903073
Energy: 1.0795858815037733

minimum gb energy = 0.6298506010787722 eV
minimum distance =  2.49035801859005 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.1817281794853427
Energy: 1.8944743709358758
Energy: 0.5444047416420325
Energy: 1.8944743709349072
Energy: 1.1817281794858405
Energy: 1.8944743709354055
Energy: 1.5468669017616328
Energy: 1.55162954013867
Energy: 1.1815174982780525
Energy: 1.5516295401379507
Energy: 1.546866901762601
Energy: 1.5516295401381996
Energy: 1.1812895399096977
Energy: 1.5516509933075648
Energy: 1.5469314657953581
Energy: 1.5516509933077858
Energy: 1.181289539909449
Energy: 1.5516509933075648
Energy: 1.6922696467806069
Energy: 1.8944743709358758
Energy: 1.1817281794853427
Energy: 1.8944743709356544
Energy: 1.6922696467803577
Energy: 1.8944743709358758
Energy: 1.1815174982783017
Energy: 1.5516295401384488
Energy: 1.5468669017618542
Energy: 1.5516295401384488
Energy: 1.1815174982778311
Energy: 1.5516295401381996
Energy: 1.5469314657936433
Energy: 1.5516509933075648
Energy: 1.1812895399087295
Energy: 1.5516509933085327
Energy: 1.546931465793892
Energy: 1.5516509933077858
Energy: 1.1817281794858405
Energy: 1.8944743709361247
Energy: 1.6922696467796388
Energy: 1.8944743709351568
Energy: 1.181728179486062
Energy: 1.8944743709356544
Energy: 1.5468669017616328
Energy: 1.5516295401381996
Energy: 1.1815174982778311
Energy: 1.5516295401389189
Energy: 1.546866901761135
Energy: 1.551629540139168
Energy: 1.181289539909449
Energy: 1.5516509933075648
Energy: 1.5469314657948603
Energy: 1.5516509933082838
Energy: 1.1812895399096977
Energy: 1.5516509933077858
Energy: 1.6922696467803577
Energy: 1.8944743709351568
Energy: 1.1817281794848447
Energy: 1.8944743709361247
Energy: 1.6922696467811047
Energy: 1.8944743709356544

minimum gb energy = 0.5444047416420325 eV
minimum distance =  2.57548526391655 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.4018044308395734
Energy: 0.8770718769351354
Energy: 0.30355250743166784
Energy: 0.8770718769336786
Energy: 1.4018044308381166
Energy: 0.8770718769344071
Energy: 0.8715174791418193
Energy: 0.6165402393064332
Energy: 0.5614688964637771
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Energy: 0.8715173144267683
Energy: 0.6165402393064332
Energy: 0.3012099881726844
Energy: 0.3023293454314802
Energy: 0.9583996854258058
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Energy: 0.30232934543075174
Energy: 0.6022235277656841
Energy: 0.8210669001948124
Energy: 0.5275324729175959
Energy: 0.8210669001962693
Energy: 0.6022235277649556
Energy: 0.8210669001962693
Energy: 0.8137850257286394
Energy: 0.7284174061802348
Energy: 1.0301792205601472
Energy: 0.7284174061795063
Energy: 0.813785025729368
Energy: 0.7284174061809301
Energy: 0.6798986237929229
Energy: 0.9486755483175131
Energy: 0.652189190264936
Energy: 0.9486755483175131
Energy: 0.6798986237929229
Energy: 0.9486755483175131
Energy: 0.814951282895647
Energy: 0.8017362774868435
Energy: 0.9337627021821004
Energy: 0.801736277486115
Energy: 0.8149512828963753
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Energy: 0.5044991917759416
Energy: 1.1364153153788146
Energy: 0.5285622001288872
Energy: 1.1364153153816952
Energy: 0.5044991917744848
Energy: 1.136415315380238
Energy: 0.30481704161330675
Energy: 0.5455622071374742
Energy: 1.11611371378862
Energy: 0.5455622071353219
Energy: 0.30481704161257833
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Energy: 0.3066872186859327
Energy: 0.667794753581669
Energy: 0.6000264701671587
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Energy: 1.064789520821764
Energy: 0.7448900682622966
Energy: 0.5629388157109079
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Energy: 0.4760911412701678
Energy: 0.6542405707208189
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Energy: 0.4760911412701678
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Energy: 0.977269586513394
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Energy: 0.8219948131947634
Energy: 0.5312296762906838
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Energy: 0.8959485646431075
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Energy: 0.5061300565301522
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Energy: 0.82160520886708
Energy: 0.5298790290849328
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Energy: 0.6683216617092008
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Energy: 0.6683216617070156
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Energy: 0.5624135819640546
Energy: 0.5619571634929352
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Energy: 0.6677105029052319
Energy: 0.6486050512600426
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Energy: 0.5056276673081317
Energy: 0.749443883648883
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Energy: 0.7494438836590812
Energy: 0.8163696288776296
Energy: 0.8986459883022989
Energy: 1.0679911689932895
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Energy: 0.8163696288769011
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Energy: 0.8950530066766917
Energy: 0.6525255459031006
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Energy: 0.19190306725126666
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Energy: 0.3550278276475939
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Energy: 0.30237970780586526
Energy: 0.3045315488701402
Energy: 0.9577192837252843
Energy: 0.30453154886941175
Energy: 0.3023797078051368
Energy: 0.3045315488686833
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Energy: 1.0082322569564606
Energy: 0.5551678415540963
Energy: 1.3993331887024187
Energy: 0.895257143505738
Energy: 0.5633483926758526
Energy: 0.8952571435050096
Energy: 1.3993331887024187
Energy: 0.895257143505738
Energy: 0.8185828194387401
Energy: 0.5985812061531259
Energy: 0.5616735297568072
Energy: 0.5985812061523976
Energy: 0.8185828194387401
Energy: 0.5985812061516691

minimum gb energy = 0.19190306725126666 eV
minimum distance =  2.43419000935291 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.1579002248083263
Energy: 0.4257594099758269
Energy: 0.8988066422041816
Energy: 0.4257594099747889
Energy: 1.1579002248072883
Energy: 0.4257594099758269
Energy: 1.829774084768306
Energy: 0.30757024239973285
Energy: 1.042224435860262
Energy: 0.30757024239973285
Energy: 0.6560280373872845
Energy: 0.30757024240077085
Energy: 0.32007943076254575
Energy: 0.520887159771839
Energy: 0.5734007123845095
Energy: 0.5208871597728768
Energy: 0.320079430761555
Energy: 0.520887159770801
Energy: 1.9756952083642243
Energy: 0.7867646548492631
Energy: 1.0368160243869287
Energy: 0.7867646548461492
Energy: 1.975695208363186
Energy: 0.7867646548451113
Energy: 1.0403090354353877
Energy: 1.0125699143239004
Energy: 1.4914054678073279
Energy: 1.0125699143218245
Energy: 1.0403090354364257
Energy: 1.0125699143207865
Energy: 1.0404126339569166
Energy: 0.9015350475917657
Energy: 1.041949134225319
Energy: 0.9015350475917657
Energy: 1.0404126339465372
Energy: 0.9015350475907278
Energy: 0.32009240154499496
Energy: 0.3909596528021693
Energy: 1.013267634600768
Energy: 0.3909596528021693
Energy: 0.32009240154499496
Energy: 0.3909596528021693
Energy: 1.0066427064518553
Energy: 0.8080850570290844
Energy: 1.6916749420817887
Energy: 0.8080850570280464
Energy: 1.0066427064518553
Energy: 0.8080850570290844
Energy: 1.0147164139638227
Energy: 0.565006371337982
Energy: 1.688847381840067
Energy: 0.5650063713369441
Energy: 1.0147164139648606
Energy: 0.565006371337982
Energy: 1.0015761258557496
Energy: 0.39654448074214765
Energy: 1.0023131545769308
Energy: 0.39654448074214765
Energy: 1.0015761258557496
Energy: 0.39654448074214765
Energy: 1.0339106499386466
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Energy: 1.015123887201934
Energy: 0.47553051401578683
Energy: 1.0339106499407222
Energy: 0.47553051401578683
Energy: 1.0338082045665373
Energy: 0.5937506849500168
Energy: 1.03381141856396
Energy: 0.5937506849500168
Energy: 1.0338082045748411
Energy: 0.5937506849500168
Energy: 1.0150822634326893
Energy: 0.4756795537127634
Energy: 1.034271574233667
Energy: 0.4756795537138013
Energy: 1.0150822634326893
Energy: 0.4756795537138013
Energy: 1.0023147667490584
Energy: 0.396759631472376
Energy: 1.0023487934258244
Energy: 0.3967596314775657
Energy: 1.002314766750096
Energy: 0.3967596314734139
Energy: 1.6889951385294726
Energy: 0.5650704299704303
Energy: 1.0146723648399838
Energy: 0.5650704299693924
Energy: 1.6889943363661448
Energy: 0.5650704299704303
Energy: 1.691677492589563
Energy: 0.8080517537329837
Energy: 1.0068958143729398
Energy: 0.8080517537319458
Energy: 1.691677492589563
Energy: 0.8080517537329837
Energy: 1.0133448742437845
Energy: 0.3918156588952761
Energy: 1.0045367174756508
Energy: 0.39181565889631403
Energy: 1.0133448742427464
Energy: 0.3918156588952761
Energy: 1.042077115836776
Energy: 0.9014995657852126
Energy: 1.0403310641358892
Energy: 0.9014995657872886
Energy: 1.042077115836776
Energy: 0.9014995657862506
Energy: 1.4920646809638878
Energy: 1.0126078983192928
Energy: 1.0402919107346866
Energy: 1.012607898318255
Energy: 1.4920646809628497
Energy: 1.012607898318255
Energy: 1.0368119941661815
Energy: 0.7854272391285284
Energy: 1.9755575953616296
Energy: 0.7854272391316423
Energy: 1.0368119941661815
Energy: 0.7854272391264525
Energy: 0.6526499111981658
Energy: 0.5208871597728768
Energy: 1.0049356861509087
Energy: 0.5208871597759908
Energy: 0.574936547975285
Energy: 0.5208871597759908
Energy: 1.041959578397474
Energy: 0.30759666897217874
Energy: 0.806199090546035
Energy: 0.30759666897114085
Energy: 1.0419595783985118
Energy: 0.30759666897114085
Energy: 1.5121632132158742
Energy: 0.4257594099758269
Energy: 1.1579002248072883
Energy: 0.4257594099758269
Energy: 1.5121632132148364
Energy: 0.4257594099768648

minimum gb energy = 0.30757024239973285 eV
minimum distance =  2.46591406797976 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.2091822797208664
Energy: 0.6094733639052498
Energy: 1.4954652724621633
Energy: 0.6094733639052498
Energy: 1.2091822797221834
Energy: 0.6094733639059082
Energy: 1.5074490357081107
Energy: 1.061458119279523
Energy: 0.6455972732763626
Energy: 1.061458119279523
Energy: 1.5074490357054768
Energy: 1.0614581192788646
Energy: 0.6480583879234262
Energy: 0.6362236312128843
Energy: 1.4620040717764846
Energy: 0.6362236312122259
Energy: 0.6480583879234262
Energy: 0.6362236312122259
Energy: 0.6330876677965198
Energy: 1.0620581439585584
Energy: 0.7265978633057595
Energy: 1.0620581439565828
Energy: 0.6330876677965198
Energy: 1.0620581439578998
Energy: 1.1078690995531335
Energy: 0.792607739519134
Energy: 1.0586590661970643
Energy: 0.792607739519134
Energy: 1.1078690995518166
Energy: 0.7926077395178169
Energy: 1.1104764200088584
Energy: 0.545992377892256
Energy: 0.6488596978811818
Energy: 0.54599237789489
Energy: 1.1104764200088584
Energy: 0.8926075966910967
Energy: 0.6479649336299039
Energy: 0.598669248269564
Energy: 0.6188446943644256
Energy: 0.5986692482682471
Energy: 0.6479649336292455
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Energy: 0.6187507707842783
Energy: 1.1107037229924699
Energy: 1.1085908868751462
Energy: 1.1107037229918115
Energy: 0.6187507707836198
Energy: 1.1107037229918115
Energy: 1.061292054192447
Energy: 0.918097598955082
Energy: 1.1097583929038988
Energy: 0.9180975989537652
Energy: 1.0612920541917885
Energy: 0.9180975989544237
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Energy: 0.5685794522523672
Energy: 0.6466204500025767
Energy: 0.48419278916916164
Energy: 0.7223177197159483
Energy: 0.5685794522523672
Energy: 0.6473555319979617
Energy: 1.0513237758500489
Energy: 0.618433963861085
Energy: 1.0513237758539995
Energy: 0.6473555319986202
Energy: 1.0513237758513656
Energy: 0.6477571034921087
Energy: 0.663624623141008
Energy: 1.571029316985965
Energy: 0.6636246231429834
Energy: 0.6477571034934256
Energy: 0.6636246231436418
Energy: 1.0549077625090086
Energy: 0.8286054962379267
Energy: 1.206744720702014
Energy: 0.8286054962379267
Energy: 1.054907762507033
Energy: 0.8286054962372682
Energy: 0.6456077309662208
Energy: 1.0618167271074108
Energy: 0.6284103717127504
Energy: 1.0618167271080694
Energy: 0.6456077309655623
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Energy: 1.0582890251582209
Energy: 0.6375486550343646
Energy: 0.6481868555852154
Energy: 0.6375486550350231
Energy: 1.0582890251582209
Energy: 0.6375486550350231
Energy: 0.7265301616990183
Energy: 1.066065286881558
Energy: 1.1045119136370778
Energy: 1.0660652868822167
Energy: 0.7265301616996768
Energy: 1.066065286881558
Energy: 1.4964510761297267
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Energy: 1.0088709836053766
Energy: 1.4964510761284098
Energy: 1.008870983604718
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Energy: 0.6198340542951482
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Energy: 0.6198340542944898
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Energy: 0.6198340542938313
Energy: 1.1975549069409177
Energy: 0.6195311648284906
Energy: 0.6481353414284707
Energy: 0.6195311648278322
Energy: 1.1975549069422347
Energy: 0.6195311648284906
Energy: 1.1081860449043175
Energy: 1.007456147916053
Energy: 0.620959229133552
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Energy: 1.1081860449036591
Energy: 1.0074561479180284
Energy: 1.1408327494744759
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Energy: 0.7210472981880034
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Energy: 1.1408327494764516
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Energy: 1.0626762769602454
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Energy: 0.6477768389381309
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Energy: 1.2035640908542837
Energy: 0.5985451766736403
Energy: 0.6467750708867599
Energy: 0.5985451766762742
Energy: 1.2035640908562588
Energy: 0.5985451766742987
Energy: 1.5705272962835928
Energy: 0.6819109184851815
Energy: 0.6485584266651025
Energy: 0.68191091848584
Energy: 1.5705272962842511
Energy: 0.681910918484523
Energy: 0.6187611376438937
Energy: 1.0212340403422906
Energy: 0.6477269552375527
Energy: 1.0212340403403153
Energy: 0.6187611376438937
Energy: 1.0212340403396567
Energy: 0.6482519604000105
Energy: 0.5672750736989302
Energy: 1.0612334504984187
Energy: 0.5672750737022225
Energy: 0.6482519604013276
Energy: 0.567275073701564
Energy: 1.1101456193453996
Energy: 0.8578675801256637
Energy: 0.722344046771482
Energy: 0.8578675801237483
Energy: 1.1101456193453996
Energy: 0.8578675801237483
Energy: 1.1077575882398294
Energy: 1.0161338739758612
Energy: 0.619501051913358
Energy: 1.0161338739765198
Energy: 1.1077575882398294
Energy: 1.0161338739765198
Energy: 0.6184926901713408
Energy: 0.6203301670583841
Energy: 0.6482733667344078
Energy: 0.6203301670570672
Energy: 0.6184926901706824
Energy: 0.6203301670590425
Energy: 0.6480556920412273
Energy: 0.893594301251442
Energy: 1.7205419804156221
Energy: 0.893594301251442
Energy: 0.6480556920418857
Energy: 0.8935943012501251
Energy: 0.8636293239034704
Energy: 1.008107235719178
Energy: 1.109968259905569
Energy: 1.008107235719178
Energy: 0.8636293239028119
Energy: 1.008107235720495
Energy: 0.7259390530682094
Energy: 1.0394017523653676
Energy: 1.1178614882065065
Energy: 1.039401752366026
Energy: 0.7259390530688679
Energy: 1.0394017523666845
Energy: 1.5455535555960174
Energy: 0.6364902508714734
Energy: 0.6484696403729773
Energy: 0.6364902508701564
Energy: 1.545553555592725
Energy: 0.6364902508708149
Energy: 0.6451207203628481
Energy: 1.062149915198163
Energy: 1.4199820459176031
Energy: 1.0621499151975047
Energy: 0.6451207203628481
Energy: 1.0621499151975047
Energy: 1.0896324168893776
Energy: 0.6098035362266943
Energy: 1.2072715219168142
Energy: 0.6098035362280111
Energy: 1.0896324168920113
Energy: 0.6098035362280111
Energy: 0.6470386852565986
Energy: 1.2201825944941869
Energy: 1.3806093150534875
Energy: 1.2201825944935287
Energy: 0.6470386852565986
Energy: 1.2201825944928701

minimum gb energy = 0.48419278916916164 eV
minimum distance =  2.43749597410172 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: -0.21582900815824768
Energy: -0.20149807785563123
Energy: 1.256886596153375
Energy: -0.2014983906021238
Energy: -0.21582900815824768
Energy: -0.20149768025210268
Energy: 0.6225899376641303
Energy: -0.5201067861619095
Energy: -0.5194097118309093
Energy: -0.5201067861619095
Energy: 0.6225899376641303
Energy: -0.5201067861619095
Energy: -0.2298537319279279
Energy: 0.13838363840449205
Energy: -0.15656224931335888
Energy: 0.13838363840269427
Energy: -0.22985373192613015
Energy: 0.13838363840449205
Energy: 0.9665631085863073
Energy: -0.5193682283043941
Energy: -0.5192189697612257
Energy: -0.5193682283061919
Energy: 0.9665631085863073
Energy: -0.5193682283043941
Energy: -0.2297768883378066
Energy: 0.28128246199176393
Energy: -0.5179154332335569
Energy: 0.281250589632028
Energy: -0.22977688833600882
Energy: 0.2812635442878088
Energy: -0.22861915770497737
Energy: 0.07941234248948768
Energy: -0.5188773272849372
Energy: 0.07940053834337599
Energy: -0.22861915770497737
Energy: 0.0794013525858047
Energy: 0.9615336578945054
Energy: -0.5190283981495268
Energy: -0.5187303085127056
Energy: -0.5190283981513246
Energy: 0.9615336578945054
Energy: -0.5190283981513246
Energy: -0.2281265352643684
Energy: -0.5194602739152957
Energy: -0.5179014158381166
Energy: -0.5194602739170935
Energy: -0.22812653526612534
Energy: -0.5194602739152957
Energy: 0.6019478898659829
Energy: 0.07828650659060887
Energy: -0.5190674607676201
Energy: 0.07858808733837704
Energy: 0.6019478898659829
Energy: 0.07848192038749192
Energy: -0.21472638263185895
Energy: -0.2000719002485922
Energy: -0.5166998975597367
Energy: -0.20006869538945535
Energy: -0.21472638263185895
Energy: -0.2000540329966015
Energy: 0.6242877351738819
Energy: -0.5195888583910758
Energy: -0.5196146468233453
Energy: -0.5195888583928736
Energy: 0.6242877351756797
Energy: -0.5195888583946714
Energy: -0.2302428109625817
Energy: 0.13801415715371498
Energy: 0.8093765932191567
Energy: 0.13801415715371498
Energy: -0.23024281095898616
Energy: 0.13801415715371498
Energy: 0.6244941480983605
Energy: -0.5197686910618128
Energy: -0.5196204688571059
Energy: -0.5197686910618128
Energy: 0.6244941480983605
Energy: -0.5197686910618128
Energy: -0.2147944452045395
Energy: -0.20011758855869743
Energy: -0.5162551271788893
Energy: -0.20005700905158014
Energy: -0.2147944452045395
Energy: -0.2000548501285918

minimum gb energy = -0.5201067861619095 eV
minimum distance =  2.55475962080629 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.5145490941591602
Energy: 0.660818039216606
Energy: 1.488076781565479
Energy: 0.6608180392158163
Energy: 1.5145490941599502
Energy: 0.660818039216606
Energy: 0.9376611370816682
Energy: 0.6580442022283617
Energy: 0.9468118749787631
Energy: 0.6580442022283617
Energy: 0.9378880616218067
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Energy: 0.95735890461388
Energy: 0.657278282319004
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Energy: 0.95735890461388
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Energy: 0.9895482897587754
Energy: 0.6574036116022636
Energy: 0.9580341571112165
Energy: 0.6574036116030534
Energy: 0.989548289759565
Energy: 0.6574036116022636
Energy: 1.4736301506633709
Energy: 0.896207331847087
Energy: 0.990389961258841
Energy: 0.8962073318478768
Energy: 1.4736301506625813
Energy: 0.8962073318502461
Energy: 1.0070000417851896
Energy: 1.0918525253955655
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Energy: 1.091852525396355
Energy: 1.0070000417843998
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Energy: 0.9691698881415616
Energy: 1.0069151418962106
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Energy: 0.9907469439935058
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Energy: 0.6640226369803035
Energy: 0.9566268156947839
Energy: 0.6640226369795138
Energy: 0.9572984613087359
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Energy: 0.9696633393111039
Energy: 0.7297701336332194
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Energy: 0.9696633393221605
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Energy: 0.9701773880035008
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Energy: 1.4733197317690092
Energy: 1.0938389564988364
Energy: 1.3624833563105432
Energy: 1.0938389564996265
Energy: 1.0008733220004271
Energy: 0.9895490366973425
Energy: 1.0065963181046664
Energy: 0.9895490366965528
Energy: 1.0008733220004271
Energy: 0.9895490366965528
Energy: 0.9572672967050604
Energy: 0.6570563243718259
Energy: 0.9911066249460708
Energy: 0.6570563243718259
Energy: 0.9572672967042705
Energy: 0.6570563243718259
Energy: 0.9450595838038843
Energy: 0.6584006895438618
Energy: 0.9572907706691681
Energy: 0.6584006895438618
Energy: 0.9450595838038843
Energy: 0.6584006895438618
Energy: 0.9469547449563647
Energy: 0.9702226017017044
Energy: 1.3824731763070843
Energy: 0.9702226017017044
Energy: 0.946954744955575
Energy: 0.9702226017017044

minimum gb energy = 0.6569468637285497 eV
minimum distance =  2.45710572000866 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.3606123541746644
Energy: 1.5464712400971197
Energy: 1.4393950114388332
Energy: 1.5464712400985252
Energy: 1.3606123541760697
Energy: 1.5464712400985252
Energy: 1.3616141784116278
Energy: 0.8986579601778423
Energy: 1.3270940940360245
Energy: 1.6609206925753417
Energy: 1.3616141784088172
Energy: 1.4917839445935694
Energy: 1.316205520407908
Energy: 1.4777621649490793
Energy: 1.3301933196031017
Energy: 1.4777621649490793
Energy: 1.316205520405097
Energy: 1.4777621649490793
Energy: 1.3274606129703903
Energy: 0.8769909538051244
Energy: 1.327319645086022
Energy: 0.9934999831479369
Energy: 1.3274606129703903
Energy: 1.4607805776602767
Energy: 1.3302400767441847
Energy: 1.4778147984230618
Energy: 1.3310576908539096
Energy: 1.4778147984230618
Energy: 1.3302400767441847
Energy: 1.4778147984244672
Energy: 1.3270772945169778
Energy: 1.4917870331575989
Energy: 1.361502228245379
Energy: 1.4917870331575989
Energy: 1.3270772945169778
Energy: 1.4917870331604097
Energy: 1.4393950114388332
Energy: 1.5464712400999305
Energy: 1.3606123541746644
Energy: 1.5464712400985252
Energy: 1.4393950114388332
Energy: 1.5464712400985252
Energy: 1.3270940940346194
Energy: 1.4917839445935694
Energy: 1.3616141784102225
Energy: 1.4917839445935694
Energy: 1.3270940940346194
Energy: 0.8986579601778423
Energy: 1.330193319604507
Energy: 1.4777621649490793
Energy: 1.3162055204065024
Energy: 1.477762164947674
Energy: 1.330193319604507
Energy: 1.477762164947674
Energy: 1.327319645086022
Energy: 1.4607805776532496
Energy: 1.3274606129703903
Energy: 1.4607805776602767
Energy: 1.3273196450874274
Energy: 0.9973301833069118
Energy: 1.3310576908539096
Energy: 1.4778147984244672
Energy: 1.3302400767441847
Energy: 1.4778147984230618
Energy: 1.3310576908553151
Energy: 1.4778147984230618
Energy: 1.361502228245379
Energy: 1.4917870331575989
Energy: 1.3270772945155722
Energy: 1.4917870331575989
Energy: 1.361502228245379
Energy: 1.4917870331590042
Energy: 1.3606123541746644
Energy: 1.5464712400985252
Energy: 1.0216070357320817
Energy: 1.5464712400971197
Energy: 1.3606123541760697
Energy: 1.5464712400985252
Energy: 1.3616141784102225
Energy: 1.4917839445935694
Energy: 1.3270940940346194
Energy: 1.491783944592164
Energy: 1.3616141784102225
Energy: 1.4917839445907586
Energy: 1.316205520407908
Energy: 1.4777621649490793
Energy: 1.3301933196031017
Energy: 1.4777621649504846
Energy: 1.316205520407908
Energy: 1.4777621649490793
Energy: 1.3274606129703903
Energy: 1.4607805776560605
Energy: 1.3273196450874274
Energy: 1.4607805776658982
Energy: 1.3274606129703903
Energy: 1.4607805776869471
Energy: 1.3302400767441847
Energy: 1.4778147984244672
Energy: 1.3310576908553151
Energy: 1.4778147984230618
Energy: 1.3302400767427793
Energy: 1.4778147984244672

minimum gb energy = 0.8769909538051244 eV
minimum distance =  2.5362887177152 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.8696478742541521
Energy: 1.085011495256775
Energy: 0.4776726961521971
Energy: 1.0850114952556276
Energy: 0.8696478742575946
Energy: 1.085011495256775
Energy: 0.6116233118739974
Energy: 0.3552721755849263
Energy: 0.7211301666066958
Energy: 0.35507677686084715
Energy: 0.6116233118739974
Energy: 0.3553082018509946
Energy: 0.7804732638208673
Energy: 0.3335543061620828
Energy: 0.7218487961140949
Energy: 0.3335543061609353
Energy: 0.780473263822015
Energy: 0.3335543061609353
Energy: 0.47670014188681786
Energy: 0.664807386703844
Energy: 0.33310058406492965
Energy: 0.6648073867049915
Energy: 0.47670014188681786
Energy: 0.664807386703844
Energy: 0.6165836065139002
Energy: 0.8514974177571661
Energy: 0.8026332266508374
Energy: 0.8514974177583136
Energy: 0.6165836065139002
Energy: 0.8514974177583136
Energy: 0.4742990837160518
Energy: 0.6828602137143608
Energy: 0.71920116595287
Energy: 0.6828602137109182
Energy: 0.47429908371719937
Energy: 0.6828602137120657
Energy: 0.47668126812253714
Energy: 0.3338510272678239
Energy: 0.7233328100957414
Energy: 0.3338510272666764
Energy: 0.47668126812253714
Energy: 0.3338510272678239
Energy: 0.6121635063505303
Energy: 0.4249069634674297
Energy: 0.7277531599991346
Energy: 0.4249069634674297
Energy: 0.6121635063493827
Energy: 0.42490696346857715
Energy: 0.8572796496481867
Energy: 0.8411385501887421
Energy: 0.3315096468417959
Energy: 0.8411385501910371
Energy: 0.8572796496481867
Energy: 0.8411385501898896
Energy: 0.47733966505751635
Energy: 0.6227704358584576
Energy: 0.41287571540042833
Energy: 0.6227704358607526
Energy: 0.4773396650586638
Energy: 0.6227704358596051
Energy: 0.47475772113479714
Energy: 0.42599491956402574
Energy: 0.3315214338909987
Energy: 0.42599491956402574
Energy: 0.47475772113364967
Energy: 0.42599491956402574
Energy: 0.4731000850250167
Energy: 0.6098254735682606
Energy: 0.3294208548073808
Energy: 0.6098327923746321
Energy: 0.4731000850250167
Energy: 0.6084491092804677
Energy: 0.4750934861445975
Energy: 0.9689234513415786
Energy: 0.34258220227656594
Energy: 0.9689234513438738
Energy: 0.4750934861457451
Energy: 0.9689234513415786
Energy: 0.47434280247854893
Energy: 0.6818165917504959
Energy: 0.32778240980165363
Energy: 0.6818165917516433
Energy: 0.47434280247854893
Energy: 0.6818165917516433
Energy: 0.5428419301421238
Energy: 0.6316179275052103
Energy: 0.41464226909420315
Energy: 0.6316179275063578
Energy: 0.5428419301421238
Energy: 0.6316179275063578
Energy: 0.8553012730630637
Energy: 0.8404489141911348
Energy: 0.32903472570974823
Energy: 0.8404489141888398
Energy: 0.8553012730642111
Energy: 0.8404489141888398
Energy: 0.6124445061443392
Energy: 0.513480232656739
Energy: 0.5367360801089683
Energy: 0.5134802300370606
Energy: 0.6124445061431917
Energy: 0.5134802332807153
Energy: 0.7317659212100033
Energy: 0.35421998135299143
Energy: 0.741939381990018
Energy: 0.35421998135184396
Energy: 0.7317659212111507
Energy: 0.3542199813506965
Energy: 0.7759024374405961
Energy: 0.6831312209988566
Energy: 0.5348757918239346
Energy: 0.6831312209977091
Energy: 0.775902437438301
Energy: 0.6831312209965616
Energy: 0.47668875265108895
Energy: 0.8411171181364357
Energy: 0.8056218231443117
Energy: 0.8411171181352883
Energy: 0.47668875265338395
Energy: 0.8411171181352883
Energy: 0.4759977096339859
Energy: 0.6621313863836787
Energy: 0.33214172001508435
Energy: 0.6621313863848263
Energy: 0.4759977096339859
Energy: 0.6621313863859737

minimum gb energy = 0.32778240980165363 eV
minimum distance =  2.53083478120526 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.9290695483012181
Energy: 0.686609251997671
Energy: 0.7342044888026702
Energy: 0.6866092519986382
Energy: 0.9290695483021851
Energy: 0.6866092519986382
Energy: 0.8225718101621354
Energy: 0.6500081937848006
Energy: 0.7542518216576802
Energy: 0.6500081937838333
Energy: 0.8225718101611681
Energy: 0.6500081937848006
Energy: 0.7787167960034757
Energy: 0.7799705444553888
Energy: 0.7542407186196061
Energy: 0.7799705444553888
Energy: 0.7787167960015411
Energy: 0.7799705444553888
Energy: 0.8182236914209757
Energy: 0.6083288020289301
Energy: 0.8301439405349179
Energy: 0.6083288020289301
Energy: 0.8182236914209757
Energy: 0.6083288020289301
Energy: 0.40311466413287866
Energy: 0.6841611316052063
Energy: 0.4022584673359537
Energy: 0.6841611316052063
Energy: 0.40311466413191144
Energy: 0.6841611316061736
Energy: 0.8497745632076408
Energy: 0.5656441467111173
Energy: 0.8710969876460738
Energy: 0.56564414671015
Energy: 0.8497745632076408
Energy: 0.56564414671015
Energy: 0.402562361447491
Energy: 0.7600206196199114
Energy: 0.8144987439510616
Energy: 0.7600206196170097
Energy: 0.402562361447491
Energy: 0.7600206196170097
Energy: 0.7520737116606085
Energy: 0.7625877222559203
Energy: 0.8448509116256343
Energy: 0.7625877222559203
Energy: 0.7520737116615759
Energy: 0.7625877222568874
Energy: 0.9242931972981597
Energy: 0.5140441457170778
Energy: 0.9603173920446886
Energy: 0.5140441457190125
Energy: 0.9242931973000943
Energy: 0.5140441457180451
Energy: 0.7467313190374357
Energy: 0.9373271091776745
Energy: 0.3909703915400774
Energy: 0.9373271091776745
Energy: 0.7467313190364684
Energy: 0.9373271091786416
Energy: 0.7520337990912169
Energy: 0.4343440366787756
Energy: 0.8635903313978726
Energy: 0.4343440366787756
Energy: 0.7520337990912169
Energy: 0.43434403669328436
Energy: 0.9243932729612666
Energy: 0.5127606116146659
Energy: 0.8802390433513508
Energy: 0.5127606116146659
Energy: 0.9243932729612666
Energy: 0.5127606116146659
Energy: 0.7473437501123683
Energy: 0.7034402306079162
Energy: 0.8144189975138246
Energy: 0.7034402306069488
Energy: 0.7473437501123683
Energy: 0.7034402306069488
Energy: 0.5893247393837442
Energy: 0.6090948717477752
Energy: 0.8148385467732457
Energy: 0.6090948717487426
Energy: 0.589324739382777
Energy: 0.6090948717477752
Energy: 0.8629346485227564
Energy: 0.8400616890661186
Energy: 0.8712482031835764
Energy: 0.840061689064184
Energy: 0.8629346485217891
Energy: 0.8400616890632168
Energy: 0.4025774662259784
Energy: 0.6841611316071409
Energy: 0.4027298543086727
Energy: 0.6841611316052063
Energy: 0.4025774662259784
Energy: 0.6841611316052063
Energy: 0.8178252330870662
Energy: 0.6085785678676084
Energy: 0.8304822719759332
Energy: 0.6085785678685757
Energy: 0.8178252330870662
Energy: 0.608578567869543
Energy: 0.7784650926713952
Energy: 0.7801842264710839
Energy: 0.7542371425094484
Energy: 0.7801842264720511
Energy: 0.7784650926713952
Energy: 0.7801842264720511
Energy: 0.8075992747023095
Energy: 0.7623286567313774
Energy: 0.7542006817204129
Energy: 0.762328656733312
Energy: 0.8075992747023095
Energy: 0.7623286567323447
Energy: 0.9290695483031525
Energy: 0.686609251997671
Energy: 0.7342044887079232
Energy: 0.686609251997671
Energy: 0.9290695483021851
Energy: 0.686609251997671
Energy: 0.8225718101621354
Energy: 0.6500081937838333
Energy: 0.7542518216576802
Energy: 0.6500081937848006
Energy: 0.8225718101621354
Energy: 0.6500081937838333
Energy: 0.7787167960034757
Energy: 0.7799705444553888
Energy: 0.7542407186186388
Energy: 0.7799705444553888
Energy: 0.7787167960005738
Energy: 0.7799705444553888
Energy: 0.8182236914219431
Energy: 0.6083288020298973
Energy: 0.8301439405339508
Energy: 0.6083288020289301
Energy: 0.8182236914209757
Energy: 0.6083288020298973
Energy: 0.40311466413191144
Energy: 0.6841611316032719
Energy: 0.4022584673359537
Energy: 0.6841611316061736
Energy: 0.40311466413287866
Energy: 0.6841611316052063
Energy: 0.8497745632076408
Energy: 0.5656441467111173
Energy: 0.8710969876460738
Energy: 0.5656441467111173
Energy: 0.8497745632076408
Energy: 0.5656441467111173

minimum gb energy = 0.3909703915400774 eV
minimum distance =  2.46302916848032 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.0386882849717767
Energy: 0.9435768411640746
Energy: 0.9244240777591056
Energy: 0.943576841191627
Energy: 1.0386882849726116
Energy: 0.9435768411724238
Energy: 0.8194646104139255
Energy: 0.8231290186100814
Energy: 0.8972547694251667
Energy: 0.8231290186117513
Energy: 0.8194646104147604
Energy: 0.8231290186109164
Energy: 0.6069858193109807
Energy: 0.9200906379998267
Energy: 0.8975985694661269
Energy: 0.9200906379981568
Energy: 0.6069858193109807
Energy: 0.9200906379973219
Energy: 0.8181579944314699
Energy: 1.012165695576346
Energy: 0.776376886889132
Energy: 1.0121656955738414
Energy: 0.818157994430635
Energy: 1.0121656955746765
Energy: 0.8188464453799745
Energy: 1.1336782880488443
Energy: 0.7753391072214665
Energy: 1.1336782880496792
Energy: 0.8188464453774698
Energy: 1.1336782880496792
Energy: 0.9349877599649865
Energy: 0.7714299066964921
Energy: 0.7749183487232705
Energy: 0.771429906697327
Energy: 0.9349877599649865
Energy: 0.7714299066964921
Energy: 0.8630036264619572
Energy: 1.0510431775881832
Energy: 0.780316913054296
Energy: 1.051043177589853
Energy: 0.8630036264636269
Energy: 1.051043177589018
Energy: 0.8185594745450617
Energy: 0.9597532085483126
Energy: 0.7745050334962227
Energy: 0.9597532085483126
Energy: 0.8185594745450617
Energy: 0.9597532085483126
Energy: 0.818893723745546
Energy: 0.7702398256013973
Energy: 0.9745889456443579
Energy: 0.7702398256013973
Energy: 0.8188937237430414
Energy: 0.7702398256013973
Energy: 1.057990535255338
Energy: 0.8277090803111257
Energy: 0.8976852158861232
Energy: 0.8277090803094559
Energy: 1.057990535257008
Energy: 0.8277090803094559
Energy: 0.8189595546361285
Energy: 0.6766739635067606
Energy: 0.6384189764194016
Energy: 0.6766739635059255
Energy: 0.8189595546361285
Energy: 0.6766739635059255
Energy: 0.5732373771611908
Energy: 1.0687000525430432
Energy: 0.8261073752647531
Energy: 1.0687000525397035
Energy: 0.5732373771603559
Energy: 1.0687000525413732
Energy: 0.5718912410025212
Energy: 0.983660927972912
Energy: 0.8973391848443103
Energy: 0.983660927972912
Energy: 0.5718912410025212
Energy: 0.983660927972912
Energy: 0.9092399803442883
Energy: 0.6771883815015727
Energy: 0.8120058867636897
Energy: 0.6771883815199411
Energy: 0.9092399803442883
Energy: 0.6771883815124268
Energy: 0.8187751177404335
Energy: 1.0194825656205653
Energy: 0.8984730289423228
Energy: 1.0194825656214004
Energy: 0.8187751177437732
Energy: 1.0194825656205653
Energy: 0.8187616601389368
Energy: 0.7716727468771304
Energy: 0.8978722716142784
Energy: 0.7716727468771304
Energy: 0.8187616601406066
Energy: 0.7716727468762955
Energy: 0.6061204699713407
Energy: 0.9166180983588316
Energy: 0.5602918111999386
Energy: 0.9166180983579967
Energy: 0.6061204699696708
Energy: 0.9166180983579967
Energy: 1.1604439923374958
Energy: 0.9994968799647586
Energy: 0.8975493494030182
Energy: 0.9994968799639237
Energy: 1.160443992338331
Energy: 0.9994968799630887
Energy: 0.6061369013396053
Energy: 0.9167058600046969
Energy: 0.560235638178116
Energy: 0.9167058600046969
Energy: 0.6061369013396053
Energy: 0.9167058600046969
Energy: 0.8186340522531574
Energy: 0.7720408890564452
Energy: 0.8982790198164728
Energy: 0.7720408890556102
Energy: 0.8186340522548274
Energy: 0.7720408890556102
Energy: 0.8185685420525834
Energy: 1.0194809970430663
Energy: 0.8984544602669772
Energy: 1.0194809970413967
Energy: 0.8185685420550882
Energy: 1.0194809970413967
Energy: 0.9092880198476176
Energy: 0.6764652660002963
Energy: 0.8122296222847815
Energy: 0.6764652660069758
Energy: 0.9092880198467828
Energy: 0.6764652660128203
Energy: 0.5719208599472346
Energy: 0.9837921292186378
Energy: 0.8973047680615454
Energy: 0.9837921292178028
Energy: 0.5719208599463996
Energy: 0.9837921292186378
Energy: 0.5731729227086259
Energy: 1.0688557092003432
Energy: 0.8261863571691257
Energy: 1.0688557091903241
Energy: 0.5731729227094607
Energy: 1.0688557092095274
Energy: 0.8189997866980611
Energy: 0.6765705227073925
Energy: 0.7131535486856595
Energy: 0.6765705227073925
Energy: 0.8189997866972262
Energy: 0.6765705227073925
Energy: 0.8201788206091779
Energy: 0.827693583620399
Energy: 0.8978476063206096
Energy: 0.827693583619564
Energy: 0.8201788206066731
Energy: 0.827693583620399
Energy: 0.8189319338240796
Energy: 0.7701789536144868
Energy: 0.7869282268426881
Energy: 0.7701789536136519
Energy: 0.8189319338224096
Energy: 0.7701789536136519
Energy: 0.8186489827129292
Energy: 0.959809942490815
Energy: 0.7743722960854339
Energy: 0.95980994249165
Energy: 0.8186489827104244
Energy: 0.95980994249165
Energy: 0.8629469881034588
Energy: 1.051043177589018
Energy: 0.7808383446256965
Energy: 1.051043177589853
Energy: 0.8629469881026238
Energy: 1.051043177589853

minimum gb energy = 0.560235638178116 eV
minimum distance =  2.44844415945189 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.313240102951787
Energy: 1.4518984015250045
Energy: 1.1875014346552297
Energy: 1.4518984015242704
Energy: 1.3132401029371081
Energy: 1.4518984015250045
Energy: 1.2436033331221272
Energy: 1.2922397873657294
Energy: 1.2547621636656443
Energy: 1.2922397873642615
Energy: 1.2436033331221272
Energy: 1.2922397873664633
Energy: 1.1865154133695779
Energy: 1.4162376507831425
Energy: 1.2659590883129577
Energy: 1.4162376507941519
Energy: 1.1865154133695779
Energy: 1.4162376507831425
Energy: 1.2273876482589057
Energy: 1.3679706823312094
Energy: 1.1852663079456405
Energy: 1.2799452063154668
Energy: 1.2273876482581716
Energy: 1.367970682334145
Energy: 1.2245156570123863
Energy: 1.3170431760290562
Energy: 0.7877956769608846
Energy: 1.31704317602979
Energy: 1.2245156570087163
Energy: 1.3170431760275885
Energy: 1.2123070465716
Energy: 1.3032832760756623
Energy: 1.2308553891938792
Energy: 1.3032832760749282
Energy: 1.2123070465745356
Energy: 1.3032832760741944
Energy: 1.236950271822501
Energy: 1.3435084843929586
Energy: 1.2248129172459683
Energy: 1.3435084843936924
Energy: 1.236950271822501
Energy: 1.3435084843936924
Energy: 1.1863976425332192
Energy: 0.893332512967906
Energy: 1.185420296536778
Energy: 1.3408120004400406
Energy: 1.1863976425354212
Energy: 1.3399239029769705
Energy: 1.231978126801821
Energy: 1.3138453795951415
Energy: 1.2195167603339152
Energy: 1.3138453795944076
Energy: 1.231978126802555
Energy: 1.3138453795936738
Energy: 1.2307024218253075
Energy: 1.308599222799702
Energy: 1.2243792642080886
Energy: 1.3085992227563996
Energy: 1.2307024218253075
Energy: 1.3085992227035892
Energy: 0.8626126409661329
Energy: 1.2898999740003148
Energy: 1.3374837970564264
Energy: 1.2898999740010488
Energy: 0.8626126409668669
Energy: 1.2898999740003148
Energy: 1.2493645401712017
Energy: 1.2690697076498674
Energy: 1.2299690217703028
Energy: 1.2690697076513353
Energy: 1.2493645401249636
Energy: 1.2690697076498674
Energy: 1.2681827777813062
Energy: 1.2884631761453333
Energy: 1.2495616791297215
Energy: 1.2884631761468013
Energy: 1.2681827777791042
Energy: 1.2884631761475354
Energy: 1.1834771300404658
Energy: 1.4314759352417095
Energy: 1.2428730311861025
Energy: 0.46065713521178725
Energy: 1.1834771300411997
Energy: 1.4314759352417095
Energy: 0.8111447377545316
Energy: 1.2443057167824267
Energy: 1.2448754663950048
Energy: 1.2443057201966827
Energy: 0.8111447377545316
Energy: 1.2443057089995258
Energy: 1.2689206948936236
Energy: 1.451418059883942
Energy: 1.1861852074973775
Energy: 1.4514180598854096
Energy: 1.2689206949413299
Energy: 1.451418059883942
Energy: 1.2319982770276028
Energy: 1.3637519741748854
Energy: 1.2629304127186283
Energy: 1.3637519741756192
Energy: 1.2319982770261348
Energy: 1.3637519741770872
Energy: 1.1854335175405264
Energy: 1.3151643846655192
Energy: 1.2291932005382527
Energy: 1.3151643846655192
Energy: 1.1854335175383246
Energy: 1.3151643846647851
Energy: 1.2013085227429463
Energy: 1.3000418570195424
Energy: 1.1831925586857133
Energy: 1.300041857020276
Energy: 1.2013085227436802
Energy: 1.3000418570195424
Energy: 1.2246456593631283
Energy: 1.3741880212740394
Energy: 1.2571605961906498
Energy: 1.3741880212652324
Energy: 1.2246456593631283
Energy: 1.3741880212534894
Energy: 1.1959052110470145
Energy: 1.3686233663914715
Energy: 1.1862215991788787
Energy: 1.3686233663907377
Energy: 1.1959052110455466
Energy: 1.3686233663892697
Energy: 1.2296846975724132
Energy: 1.319891514608085
Energy: 1.2243402817319564
Energy: 1.319891514608085
Energy: 1.229684697574615
Energy: 1.319891514608085
Energy: 1.1860596111156758
Energy: 1.3163437703956542
Energy: 1.2305656473816673
Energy: 1.3163437703949203
Energy: 1.18605961111641
Energy: 1.3163437703956542
Energy: 1.22828986156534
Energy: 1.3533266709175245
Energy: 1.2163474919196473
Energy: 1.3533266708456315
Energy: 1.22828986156534
Energy: 1.353326670911653
Energy: 1.2307013070382895
Energy: 1.2718833468813497
Energy: 1.2292788328537207
Energy: 1.2718833468820836
Energy: 1.2307013070404915
Energy: 1.2718833468813497
Energy: 1.2275816551587202
Energy: 1.3091512501855098
Energy: 1.4439741968305535
Energy: 1.3091512501686289
Energy: 1.2275816551616558
Energy: 1.3091512501877114
Energy: 1.2431069716951375
Energy: 1.3339432361834132
Energy: 1.2296407787813255
Energy: 1.3339432395697794
Energy: 1.2431069716973393
Energy: 1.3339432384231316
Energy: 1.2435993155049787
Energy: 1.2452757186906225
Energy: 1.225716791835053
Energy: 1.2452757116354232
Energy: 1.2435993155049787
Energy: 1.2452756727825027
Energy: 1.2106255852359105
Energy: 1.3104343197004753
Energy: 1.2892055346721951
Energy: 1.31043431960146
Energy: 1.2106255852373784
Energy: 1.3104343197393742
Energy: 1.2309839850711266
Energy: 1.2720624996472063
Energy: 1.2241116095826514
Energy: 1.2720624996472063
Energy: 1.2309839850711266
Energy: 1.2720624996472063
Energy: 1.2266139975603478
Energy: 1.453639192856148
Energy: 1.1855044424627836
Energy: 1.4536391928546801
Energy: 1.2266139974605654
Energy: 1.453639192855414
Energy: 1.2328874865505357
Energy: 1.3000950428456157
Energy: 1.2315650678579115
Energy: 1.3000950428456157
Energy: 1.2328874865512696
Energy: 1.3000950428470837
Energy: 1.2300138749137723
Energy: 1.367893068904692
Energy: 1.186019248639969
Energy: 1.3678930688848754
Energy: 1.2300138749152403
Energy: 1.3678930688555178

minimum gb energy = 0.46065713521178725 eV
minimum distance =  2.50842835509394 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.019523284331209343
Energy: -0.7675439793158935
Energy: 0.2863483231099428
Energy: -0.7675556359736877
Energy: 0.019523284331209343
Energy: -0.7675311502114114
Energy: 0.019781615511797544
Energy: 0.5830746568825516
Energy: 0.01978161551061181
Energy: 0.5830746568855327
Energy: 0.019781615511187737
Energy: 0.5830746568837372
Energy: 0.9132298043835624
Energy: -0.7675500173594407
Energy: 0.019523284331209343
Energy: -0.7675088682809342
Energy: 0.9132298043793953
Energy: -0.7675062262467561
Energy: 0.019781615511797544
Energy: 0.5830746568849569
Energy: 0.019781615511187737
Energy: 0.5830746568825516
Energy: 0.019781615511187737
Energy: 0.5830746568855327

minimum gb energy = -0.7675556359736877 eV
minimum distance =  2.65399984049077 Angstroms
sigma value = 1