Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Cu__MO_087820130586_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315634429455
cohesive_energy=3.5402784386325172
mass=63.546
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: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.7280906439921496
Energy: 0.3091905870290322
Energy: 0.7280906439921496
Energy: 0.9756042418345182
Energy: 0.7280906439921496
Energy: 0.8633340568759492
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.7280906439921496
Energy: 0.9756042418354252
Energy: 0.7280906439921496
Energy: 0.9827710666822581
Energy: 0.7280906439921496
Energy: 0.8633340568753215
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.013701708955757992
Energy: 0.7280906439921496
Energy: 0.7280906439921496
Energy: 0.8633340568756354
Energy: 0.7280906439921496
Energy: 0.8633340568746937
Energy: 0.7280906439921496
Energy: 0.8633340568756354

minimum gb energy = 0.013701708955757992 eV
minimum distance =  2.38924027447252 Angstroms
sigma value = 1


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

Energy: 0.9687655480084317
Energy: 1.1638919794109024
Energy: 0.9687655480084317
Energy: 1.1638919794109024
Energy: 0.9687655480084317
Energy: 1.163891979411658
Energy: 1.180130208310304
Energy: 0.9081799641936833
Energy: 1.180130208310304
Energy: 0.9081799641936833
Energy: 1.1801302083095484
Energy: 0.9081799641936833
Energy: 0.9463467130911213
Energy: 1.2861000260075852
Energy: 0.9463467130911213
Energy: 1.2861000260075852
Energy: 0.9463467130911213
Energy: 1.2861000260075852
Energy: 1.2047472043837375
Energy: 0.970797798819297
Energy: 1.2047472043837375
Energy: 0.9707977988200528
Energy: 1.204747204384493
Energy: 0.9707977988200528
Energy: 1.008151733032564
Energy: 1.0821230382354323
Energy: 1.0081517330333196
Energy: 1.0821230382354323
Energy: 1.008151733032564
Energy: 1.0821230382346767
Energy: 1.0245068212007666
Energy: 0.9961387090262638
Energy: 1.0245068212007666
Energy: 0.9961387090262638
Energy: 1.0245068212015223
Energy: 0.9961387090255083
Energy: 0.9648679626347825
Energy: 1.1236225898731655
Energy: 0.9648679626362938
Energy: 1.1236225898724101
Energy: 0.9648679626347825
Energy: 1.1236225898724101
Energy: 0.9849775914285194
Energy: 1.2006278605466576
Energy: 0.9849775914285194
Energy: 1.2006278605466576
Energy: 0.9849775914285194
Energy: 1.2006278605466576
Energy: 1.090541062433948
Energy: 0.957373701320328
Energy: 1.0905410624347036
Energy: 0.957373701320328
Energy: 1.090541062433948
Energy: 0.957373701320328
Energy: 0.9215050204992404
Energy: 1.1970499436386217
Energy: 0.9215050204992404
Energy: 1.1970499436386217
Energy: 0.9215050204992404
Energy: 1.1970499436386217
Energy: 1.073192227880026
Energy: 0.8978740803068378
Energy: 1.073192227880026
Energy: 0.8978740803068378
Energy: 1.0731922278807817
Energy: 0.8978740803068378
Energy: 0.861700015306951
Energy: 1.292587977491323
Energy: 0.861700015306951
Energy: 1.2925879774905673
Energy: 0.861700015306951
Energy: 1.2925879774905673
Energy: 1.1993950907804813
Energy: 0.8897187867274546
Energy: 1.1993950907797257
Energy: 0.8897187867274546
Energy: 1.1993950907797257
Energy: 0.8897187867274546
Energy: 0.9339908838524454
Energy: 1.0896081698201305
Energy: 0.9339908838524454
Energy: 1.089608169819375
Energy: 0.9339908838524454
Energy: 1.089608169819375
Energy: 1.2219763392299037
Energy: 0.9315606957767808
Energy: 1.2219763392299037
Energy: 0.9315606957775364
Energy: 1.2219763392299037
Energy: 0.9315606957767808
Energy: 1.1612942681056742
Energy: 1.1562328976729308
Energy: 1.1612942681056742
Energy: 1.1562328976729308
Energy: 1.1612942681056742
Energy: 1.1562328976729308
Energy: 1.0615182501860387
Energy: 1.0092123972856513
Energy: 1.0615182501867944
Energy: 1.0092123972856513
Energy: 1.0615182501860387
Energy: 1.0092123972856513
Energy: 1.096570453457135
Energy: 1.011078759469873
Energy: 1.096570453457135
Energy: 1.0110787594706285
Energy: 1.0965704534563794
Energy: 1.011078759469873
Energy: 0.9934761712450055
Energy: 1.0642795379071408
Energy: 0.9934761712450055
Energy: 1.0642795379078966
Energy: 0.9934761712450055
Energy: 1.0642795379078966
Energy: 1.074438707569983
Energy: 0.9403390516859368
Energy: 1.074438707569983
Energy: 0.9403390516859368
Energy: 1.074438707569983
Energy: 0.9403390516859368
Energy: 0.9113226736465881
Energy: 1.2891863061022837
Energy: 0.9113226736473439
Energy: 1.2891863061030393
Energy: 0.9113226736473439
Energy: 1.2891863061022837
Energy: 1.1205494289183335
Energy: 0.9529347926614405
Energy: 1.1205494289183335
Energy: 0.9529347926621962
Energy: 1.1205494289183335
Energy: 0.9529347926614405
Energy: 0.8780581682510515
Energy: 1.177590697481685
Energy: 0.8780581682510515
Energy: 1.177590697481685
Energy: 0.8780581682502959
Energy: 1.177590697481685

minimum gb energy = 0.861700015306951 eV
minimum distance =  2.36254128611558 Angstroms
sigma value = 33


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

Energy: 1.025545307199233
Energy: 1.1943393514840845
Energy: 0.9590153335438568
Energy: 1.1943393514853737
Energy: 1.025545307199233
Energy: 1.1943393514845142
Energy: 1.2599578748107467
Energy: 0.9741940290020198
Energy: 1.2599578748103168
Energy: 0.9741940290007305
Energy: 1.2599578748094573
Energy: 0.9741940290007305
Energy: 0.9034359285242735
Energy: 0.9778865619117318
Energy: 0.9034359285242735
Energy: 0.9778865619108722
Energy: 0.9034359285247032
Energy: 0.9778865619113021
Energy: 1.1553338981916637
Energy: 1.0354842187224063
Energy: 1.1553338981920933
Energy: 1.0354842187236954
Energy: 1.1553338981938126
Energy: 1.0354842187232656
Energy: 1.0827456270629592
Energy: 1.1394986525312583
Energy: 1.0827456270646783
Energy: 1.139498652529969
Energy: 1.0827456270620999
Energy: 1.1394986525303987
Energy: 1.1136003673239112
Energy: 0.9025650631724432
Energy: 1.1136003673243413
Energy: 0.9024717268170268
Energy: 1.1136003673252006
Energy: 0.902565063172873
Energy: 1.1213842550832842
Energy: 1.0333275557836383
Energy: 1.121384255081995
Energy: 1.0006386599454953
Energy: 1.1213842550832842
Energy: 1.0333275557832087
Energy: 0.9127925212647175
Energy: 1.1659976073589533
Energy: 0.9127925212651473
Energy: 1.1659976073602425
Energy: 0.9127925212647175
Energy: 1.1659976073589533
Energy: 1.0267733683682307
Energy: 0.9041691763477764
Energy: 1.0267733683660818
Energy: 0.9041691763469167
Energy: 1.026773368367801
Energy: 0.9041691763486359
Energy: 0.8861269751995098
Energy: 1.227798750042666
Energy: 0.886325633509111
Energy: 1.2277987500422363
Energy: 0.8861269752003694
Energy: 1.2277987500418064
Energy: 1.1739375759536812
Energy: 0.896067767089343
Energy: 1.1739375759528214
Energy: 0.896067767088913
Energy: 1.1739375759528214
Energy: 0.8960677670867642
Energy: 0.9037007532699756
Energy: 1.093307504112709
Energy: 0.903701508885309
Energy: 1.0933075041114195
Energy: 0.9037007532695459
Energy: 1.09330750411056
Energy: 1.1937521463069405
Energy: 0.926701171650041
Energy: 1.1937521463073701
Energy: 0.9267011716496112
Energy: 1.1937521463060807
Energy: 0.9267011716513303
Energy: 0.9590519250352617
Energy: 1.0805669245772147
Energy: 0.9590519250352617
Energy: 1.0805669245789338
Energy: 0.9590519250356914
Energy: 1.0805669245797933
Energy: 0.9699804063262495
Energy: 1.0458447898393552
Energy: 0.9699804063253901
Energy: 1.0458447898389251
Energy: 0.9699804063253901
Energy: 1.0458447898389251
Energy: 0.9029508765642665
Energy: 0.9776409167202488
Energy: 0.9029508765625475
Energy: 0.9776409167223978
Energy: 0.9029508765629772
Energy: 0.9776409167202488
Energy: 1.0801198304779744
Energy: 1.010558470830029
Energy: 1.0801198304784043
Energy: 1.010558470831748
Energy: 1.0801198304758257
Energy: 1.010558470831748
Energy: 1.0832428563221042
Energy: 0.9039985812444382
Energy: 1.0832428563250736
Energy: 0.9060684994954701
Energy: 1.0832428563229637
Energy: 0.9039985812423285
Energy: 0.9902844051798783
Energy: 1.1084174499294634
Energy: 0.9902844051815973
Energy: 1.128502223071562
Energy: 0.9902844051794486
Energy: 1.1084174499290336
Energy: 1.1958665890918752
Energy: 0.9622408269292226
Energy: 1.1958665890914455
Energy: 0.9954403772753997
Energy: 1.1958665890935944
Energy: 0.9622408269292226
Energy: 0.8998552468520236
Energy: 1.2591375668514528
Energy: 0.899855246853313
Energy: 1.2591375668527423
Energy: 0.899855246855032
Energy: 1.2591375668527423
Energy: 1.141386806369547
Energy: 0.905224166503286
Energy: 1.1413868063712664
Energy: 0.905224166503286
Energy: 1.1413868063712664
Energy: 0.9052241665024263
Energy: 0.8909349369443295
Energy: 1.226620108192915
Energy: 0.890193214735115
Energy: 1.2266201081920554
Energy: 0.89093493694304
Energy: 1.226620108192485
Energy: 1.1677161970629375
Energy: 0.9867638137050267
Energy: 1.1677161970625074
Energy: 0.9867638137050267
Energy: 1.1677161970637968
Energy: 0.9867638137037376
Energy: 0.9038961197561215
Energy: 1.1105144058186271
Energy: 0.9038824905162568
Energy: 1.1105144058181975
Energy: 0.9038961197565515
Energy: 1.1105144058186271
Energy: 1.184020502209273
Energy: 1.1060577627158468
Energy: 1.1097789611536628
Energy: 1.1060577627162766
Energy: 1.1840205022097023
Energy: 1.1060577627158468
Energy: 1.1653085755026409
Energy: 1.0426138025702802
Energy: 1.1100252555797787
Energy: 1.0426138025702802
Energy: 1.1653085755026409
Energy: 1.0426138025698504
Energy: 0.9042572157311052
Energy: 1.082067466481124
Energy: 0.9042572157302459
Energy: 1.0820674664819838
Energy: 0.9042572157306755
Energy: 1.0820674664794052
Energy: 1.226496909894731
Energy: 0.9146228858505553
Energy: 1.2264969098930116
Energy: 0.9146228858535638
Energy: 1.2264969098951606
Energy: 0.9146228858518447
Energy: 0.8902889709793049
Energy: 1.1753954641802689
Energy: 0.8902889709801645
Energy: 1.1753954641815583
Energy: 0.8902889709805943
Energy: 1.1753954641828477
Energy: 1.238836511778863
Energy: 0.9195266796779124
Energy: 1.2388365117797226
Energy: 0.9043080318745084
Energy: 1.2388365117810118
Energy: 0.9195266796766229
Energy: 0.9277576844779268
Energy: 1.2721991079620139
Energy: 0.9277576844753482
Energy: 1.234726328795908
Energy: 0.9277576844753482
Energy: 1.2721991079633033
Energy: 1.195598974156582
Energy: 0.9955378942795055
Energy: 1.195598974157012
Energy: 0.9621227091549069
Energy: 1.195598974156582
Energy: 0.995537894278646
Energy: 0.9660799620783392
Energy: 1.2338363662786165
Energy: 0.9660799620791988
Energy: 1.233836366277757
Energy: 0.9660799620779094
Energy: 1.233836366279906
Energy: 0.9778233302318137
Energy: 0.9026245134270755
Energy: 0.9778233302331031
Energy: 0.9026245134270755
Energy: 0.9778233302331031
Energy: 0.9026245134275053
Energy: 0.980563727074263
Energy: 1.1094064210241223
Energy: 0.9805637270729737
Energy: 1.109406421023263
Energy: 0.980563727074263
Energy: 1.1094064210236927
Energy: 0.9029643948770897
Energy: 1.0837451323817988
Energy: 0.9031773180611571
Energy: 1.0837451323817988
Energy: 0.9029643948758004
Energy: 1.083745132381369
Energy: 1.0864107930978575
Energy: 0.9879591751901021
Energy: 1.086410793099147
Energy: 0.9879591751931106
Energy: 1.086410793099147
Energy: 0.9879591751918212
Energy: 0.9593696966667107
Energy: 1.1607164480556198
Energy: 0.9593696966649915
Energy: 1.160716448056479
Energy: 0.9593696966667107
Energy: 1.1607164480577685
Energy: 1.1662918954044583
Energy: 0.9005028153261816
Energy: 1.1662918954048882
Energy: 0.9005028153283305
Energy: 1.166291895403599
Energy: 0.9005028153270411
Energy: 0.9034720877937622
Energy: 1.0362702621093351
Energy: 0.9034720877924728
Energy: 1.036270262108905
Energy: 0.9034720877929024
Energy: 1.036270262111054

minimum gb energy = 0.8861269751995098 eV
minimum distance =  2.3923900572196 Angstroms
sigma value = 51


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

Energy: 1.062468372677591
Energy: 1.0975253474529307
Energy: 1.062468372677591
Energy: 1.0975253474529307
Energy: 1.062468372677591
Energy: 1.0975253474529307
Energy: 1.1307303970793607
Energy: 1.0066537157299296
Energy: 1.1307303970803568
Energy: 1.0066537157299296
Energy: 1.1307303970793607
Energy: 1.0066537157309254
Energy: 0.9443225107775652
Energy: 1.2665695419415999
Energy: 0.9443225107765694
Energy: 1.2665695419415999
Energy: 0.9443225107765694
Energy: 1.266569541942596
Energy: 0.9993386909291693
Energy: 0.9423391165358274
Energy: 0.9993386909281733
Energy: 0.9423391165358274
Energy: 0.9993386909281733
Energy: 0.9423391165358274
Energy: 1.0803343858107914
Energy: 1.0459098188186247
Energy: 1.0803343858117873
Energy: 1.0459098188186247
Energy: 1.0803343858107914
Energy: 1.0459098188186247
Energy: 1.1087318772524561
Energy: 1.0105842406630352
Energy: 1.1087318772524561
Energy: 1.0105842406630352
Energy: 1.108731877253452
Energy: 1.0105842406630352
Energy: 0.9482160899648269
Energy: 1.0117382708990963
Energy: 0.9482160899648269
Energy: 1.0117382708990963
Energy: 0.9482160899658226
Energy: 1.011738270900092
Energy: 0.9723463296007532
Energy: 1.0504909735523074
Energy: 0.9723463296007532
Energy: 1.0504909735523074
Energy: 0.9723463296007532
Energy: 1.0504909735523074
Energy: 1.1866466427445337
Energy: 0.9105081389943309
Energy: 1.1866466427445337
Energy: 0.9105081389943309
Energy: 1.1866466427445337
Energy: 0.9105081389943309
Energy: 0.9562774892826967
Energy: 1.2523781390601512
Energy: 0.9562774892826967
Energy: 1.2523781390601512
Energy: 0.9562774892826967
Energy: 1.2523781390591555
Energy: 1.132688959998025
Energy: 0.9256449011947834
Energy: 1.132688959998025
Energy: 0.9256449011947834
Energy: 1.132688959999021
Energy: 0.9256449011947834
Energy: 1.0353513865347161
Energy: 1.1100833268106378
Energy: 1.0353513865347161
Energy: 1.1100833268106378
Energy: 1.0353513865347161
Energy: 1.1100833268106378
Energy: 1.1849823656820375
Energy: 0.988377436880094
Energy: 1.1849823656820375
Energy: 0.988377436880094
Energy: 1.1849823656820375
Energy: 0.988377436880094
Energy: 1.0301449280349757
Energy: 0.9934771294059045
Energy: 1.0301449280359716
Energy: 0.9934771294049088
Energy: 1.0301449280359716
Energy: 0.9934771294049088
Energy: 0.9608593753320933
Energy: 1.006972528922482
Energy: 0.9608593753320933
Energy: 1.006972528922482
Energy: 0.9608593753320933
Energy: 1.006972528922482
Energy: 1.1311735333457014
Energy: 1.010339509122583
Energy: 1.1311735333457014
Energy: 1.010339509122583
Energy: 1.1311735333457014
Energy: 1.0103395091215872
Energy: 1.0517329240667184
Energy: 1.2317195541254033
Energy: 1.0517329240667184
Energy: 1.2317195541254033
Energy: 1.0517329240667184
Energy: 1.2317195541254033
Energy: 1.003827188933176
Energy: 0.9866967388843185
Energy: 1.003827188933176
Energy: 0.9866967388843185
Energy: 1.003827188933176
Energy: 0.9866967388852691

minimum gb energy = 0.9105081389943309 eV
minimum distance =  2.30035196871011 Angstroms
sigma value = 19


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

Energy: 0.900642212419707
Energy: 0.9538319396174977
Energy: 0.9196267468278383
Energy: 0.953831939616907
Energy: 0.9006422124191164
Energy: 0.9538319396163164
Energy: 1.128080200459616
Energy: 1.0357415564561594
Energy: 1.1280802004590251
Energy: 1.0357415564555688
Energy: 1.1280802004590251
Energy: 1.0357415564561594
Energy: 0.8115277438072276
Energy: 1.0516908120132744
Energy: 0.8115277438066371
Energy: 1.0516908120132744
Energy: 0.8115277438072276
Energy: 1.051690812014456
Energy: 0.9494237194661608
Energy: 0.8115093113479204
Energy: 0.9494237194661608
Energy: 0.8115093113479204
Energy: 0.9494237194661608
Energy: 0.811509311348511
Energy: 0.8934662262252655
Energy: 0.9039757691781874
Energy: 0.8934662262258561
Energy: 0.9039757691787781
Energy: 0.8934662262252655
Energy: 0.9039757691781874
Energy: 0.8639902985250805
Energy: 0.9038010226984641
Energy: 0.8639902985250805
Energy: 0.9038010226984641
Energy: 0.8639902985244897
Energy: 0.9038010226990547
Energy: 0.887915022711077
Energy: 0.8117351803178444
Energy: 0.887915022711077
Energy: 0.8117351803178444
Energy: 0.887915022711077
Energy: 0.8117351803166629
Energy: 0.8114503961079396
Energy: 1.112159496669777
Energy: 0.8114495470889205
Energy: 1.1121594966685957
Energy: 0.8114503961073488
Energy: 1.112159496669777
Energy: 1.1432856490128769
Energy: 1.0602095439051502
Energy: 1.1432856490122865
Energy: 1.0602095439051502
Energy: 1.1432856490128769
Energy: 1.0602095439039687
Energy: 0.9196267468272478
Energy: 0.953831939616907
Energy: 0.9196267468278383
Energy: 0.953831939616907
Energy: 0.9196267468278383
Energy: 0.953831939616907
Energy: 1.1280802004590251
Energy: 1.0357415564555688
Energy: 1.128080200459616
Energy: 1.0357415564555688
Energy: 1.1280802004590251
Energy: 1.0357415564555688
Energy: 0.8115277438066371
Energy: 1.0516908120132744
Energy: 0.8115277438066371
Energy: 1.0516908120132744
Energy: 0.8115277438066371
Energy: 1.051690812013865
Energy: 0.9494237194667514
Energy: 0.8115055609216486
Energy: 0.9494237194661608
Energy: 0.8115055609216486
Energy: 0.9494237194667514
Energy: 0.8115055609204672
Energy: 0.8934662262246748
Energy: 0.9039757691775967
Energy: 0.8934662262252655
Energy: 0.9039757691775967
Energy: 0.8934662262252655
Energy: 0.9039757691775967
Energy: 0.8639902985250805
Energy: 0.9038010226984641
Energy: 0.8639902985250805
Energy: 0.9038010226984641
Energy: 0.8639902985244897
Energy: 0.9038010226990547
Energy: 0.8879150227116678
Energy: 0.8117351803172536
Energy: 0.887915022711077
Energy: 0.8117351803178444
Energy: 0.887915022711077
Energy: 0.8117351803166629
Energy: 0.8113789485932957
Energy: 1.1121594966685957
Energy: 0.8114772381251149
Energy: 1.1121594966685957
Energy: 0.8113789485932957
Energy: 1.1121594966691863
Energy: 1.0924425339305923
Energy: 1.0602095439045596
Energy: 1.1432856490122865
Energy: 1.0602095439051502
Energy: 1.0924425339305923
Energy: 1.0602095439039687
Energy: 0.9006422124191164
Energy: 0.953831939616907
Energy: 0.9196267468272478
Energy: 0.9538319396174977
Energy: 0.9006422124191164
Energy: 0.953831939616907
Energy: 1.1280802004590251
Energy: 1.0357415564555688
Energy: 1.1280802004590251
Energy: 1.0357415564555688
Energy: 1.1280802004590251
Energy: 1.0357415564561594
Energy: 0.8115277438066371
Energy: 1.0516908120132744
Energy: 0.8115277438060463
Energy: 1.0516908120132744
Energy: 0.8115277438072276
Energy: 1.051690812013865
Energy: 0.9494237194661608
Energy: 0.8115093113479204
Energy: 0.9494237194661608
Energy: 0.8115093113479204
Energy: 0.9494237194661608
Energy: 0.8115093113491015
Energy: 0.8934662262252655
Energy: 0.9039757691781874
Energy: 0.8934662262258561
Energy: 0.9039757691781874
Energy: 0.8934662262252655
Energy: 0.9039757691775967
Energy: 0.8639902985250805
Energy: 0.9038010226984641
Energy: 0.8639902985250805
Energy: 0.9038010226984641
Energy: 0.8639902985250805
Energy: 0.9038010226990547
Energy: 0.8879150227116678
Energy: 0.8117351803172536
Energy: 0.8879150227116678
Energy: 0.8117351803172536
Energy: 0.8879150227116678
Energy: 0.8117351803166629
Energy: 0.8114503961073488
Energy: 1.1121594966691863
Energy: 0.8114495470889205
Energy: 1.1121594966691863
Energy: 0.8114503961073488
Energy: 1.1121594966691863
Energy: 1.1432856490134677
Energy: 1.0602095439051502
Energy: 1.1432856490128769
Energy: 1.0602095439051502
Energy: 1.1432856490134677
Energy: 1.0602095439045596
Energy: 0.9196267468278383
Energy: 0.953831939616907
Energy: 0.9196267468278383
Energy: 0.953831939616907
Energy: 0.9196267468272478
Energy: 0.953831939616907
Energy: 1.1280802004590251
Energy: 1.0357415564561594
Energy: 1.128080200459616
Energy: 1.0357415564561594
Energy: 1.1280802004590251
Energy: 1.03574155645675
Energy: 0.8115277438072276
Energy: 1.0516908120132744
Energy: 0.8115277438060463
Energy: 1.0516908120132744
Energy: 0.8115277438066371
Energy: 1.051690812014456

minimum gb energy = 0.8113789485932957 eV
minimum distance =  2.30890885748716 Angstroms
sigma value = 27


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

Energy: 0.8343246685267354
Energy: 0.7991297790380084
Energy: 0.8343246685267354
Energy: 0.7991297790380084
Energy: 0.8343246685267354
Energy: 0.7991297790380084
Energy: 1.060313794898146
Energy: 0.8291805570083024
Energy: 1.0603137948966992
Energy: 0.8291805570083024
Energy: 1.0603137948966992
Energy: 0.8291805570083024
Energy: 0.7637914868652692
Energy: 1.077532572292194
Energy: 0.7637914868652692
Energy: 1.077532572292194
Energy: 0.7637914868652692
Energy: 1.077532572292194
Energy: 1.0224763442357974
Energy: 0.7693537487909334
Energy: 1.0224763442343507
Energy: 0.7693537487909334
Energy: 1.0224763442343507
Energy: 0.7693537487909334
Energy: 1.1313588931950533
Energy: 0.7667104324328069
Energy: 1.1313588931950533
Energy: 0.7667104324342537
Energy: 1.1313588931936065
Energy: 0.7667104324328069
Energy: 0.8775068361430435
Energy: 0.99970665313543
Energy: 0.8775068361430435
Energy: 0.99970665313543
Energy: 0.8775068361430435
Energy: 0.99970665313543
Energy: 0.8076189542785484
Energy: 0.8307128587771494
Energy: 0.8076189542785484
Energy: 0.8307128587771494
Energy: 0.9122657588810792
Energy: 0.8307128587771494
Energy: 0.8332516869651734
Energy: 0.8018472973987437
Energy: 0.8332516869651734
Energy: 0.8018472973987437
Energy: 0.8332516869651734
Energy: 0.8018472973987437
Energy: 0.8625516909250569
Energy: 0.8498483935773894
Energy: 0.8625516909395254
Energy: 0.8498483934718344
Energy: 0.8625516907341375
Energy: 0.8498483935050792
Energy: 0.9254898256940831
Energy: 0.8915549441554771
Energy: 0.9254898256940831
Energy: 0.8915549441554771
Energy: 0.9254898256940831
Energy: 0.8915549441554771
Energy: 0.8258335387024022
Energy: 0.795929082971135
Energy: 0.8258335387024022
Energy: 0.795929082971135
Energy: 0.9162424776146061
Energy: 0.795929082971135
Energy: 1.0139747683114704
Energy: 0.8604652527090261
Energy: 1.0139747683114704
Energy: 0.8604652527075792
Energy: 1.0139747683114704
Energy: 0.8604652527075792

minimum gb energy = 0.7637914868652692 eV
minimum distance =  2.29870340989344 Angstroms
sigma value = 9


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

Energy: 0.7522990843750919
Energy: 0.894871669282924
Energy: 0.7522990843750919
Energy: 0.8948716692833305
Energy: 0.7522990843750919
Energy: 0.894871669282924
Energy: 1.0169683739697355
Energy: 0.7235667572433292
Energy: 1.0169683739705486
Energy: 0.9147779442651031
Energy: 1.016968373970142
Energy: 0.799567147571351
Energy: 0.7074603877774809
Energy: 1.1841094091172422
Energy: 0.7074603877774809
Energy: 1.1841094091192748
Energy: 0.7074603877778873
Energy: 1.1841094091172422
Energy: 0.7010033429061977
Energy: 0.6909762279190551
Energy: 0.7010033429061977
Energy: 0.6909762279194617
Energy: 0.7010033429057911
Energy: 0.6909762279194617
Energy: 0.8178271783111997
Energy: 0.8357635779821422
Energy: 0.8178271783107931
Energy: 0.8357635779821422
Energy: 0.8178271783111997
Energy: 0.8357635779821422
Energy: 0.7348013406713956
Energy: 0.773425098141408
Energy: 0.734801340670989
Energy: 0.8001735637076739
Energy: 0.7348013406718021
Energy: 0.8001735637064543
Energy: 0.7101743435995017
Energy: 0.8499947594506266
Energy: 0.7101743435925908
Energy: 0.8499947594506266
Energy: 0.7101743435978756
Energy: 0.8499947594510332
Energy: 0.6760274468264679
Energy: 0.8583839581735822
Energy: 0.6760274468260613
Energy: 0.8583839581735822
Energy: 0.6760274468264679
Energy: 0.8583839581735822
Energy: 1.2404599131383955
Energy: 0.862930312534642
Energy: 1.240459913137989
Energy: 0.8629303125342355
Energy: 1.2404599131383955
Energy: 0.8629303125342355
Energy: 0.8758418527412944
Energy: 1.029137665158336
Energy: 0.8758418527412944
Energy: 1.029137665158336
Energy: 0.8758418527408879
Energy: 1.029137665158336
Energy: 0.7006004931533872
Energy: 0.6946376497244439
Energy: 0.7006004931533872
Energy: 0.6946376497248504
Energy: 0.7006004931533872
Energy: 0.6946376497248504
Energy: 0.7795534867353836
Energy: 0.7199321954940964
Energy: 0.7795534867353836
Energy: 0.7199321954697044
Energy: 0.779553486734977
Energy: 0.7199321954969421
Energy: 0.73142000057371
Energy: 0.7320034779993111
Energy: 0.7314199897980568
Energy: 0.7320034779989045
Energy: 0.7314199831802302
Energy: 0.732003477998498
Energy: 0.7490805386489177
Energy: 0.8962628293039167
Energy: 0.7490805386489177
Energy: 0.8962628293051362
Energy: 0.7490805386489177
Energy: 0.8962628293067624
Energy: 0.6804211600119567
Energy: 0.8538051346907499
Energy: 0.6804211600123633
Energy: 0.8538051346907499
Energy: 0.6804211600123633
Energy: 0.8538051346911565
Energy: 0.6991321678017703
Energy: 0.7349379373152124
Energy: 0.6991321678013638
Energy: 0.7349379373156188
Energy: 0.6991321678009573
Energy: 0.734937937316432
Energy: 1.053099944474701
Energy: 0.8930099210736631
Energy: 1.0530999444742946
Energy: 0.8930099210858591
Energy: 1.053099944474701
Energy: 0.8930099210622803
Energy: 0.686923011652255
Energy: 0.8911161844407476
Energy: 0.6869230116526615
Energy: 0.8911161844407476
Energy: 0.686923011652255
Energy: 0.8911161844407476
Energy: 0.6636907942583958
Energy: 0.9841940447246363
Energy: 0.6636907942583958
Energy: 0.9841940447242298
Energy: 0.6636907942588023
Energy: 0.9841940447242298
Energy: 0.9520794481075604
Energy: 0.7513732638049362
Energy: 0.9520794481075604
Energy: 0.7839885933531088
Energy: 0.9520794481075604
Energy: 0.7311611333182085
Energy: 0.6637872666759076
Energy: 0.9841804523491087
Energy: 0.663787266675501
Energy: 0.9841804523495153
Energy: 0.6637872666759076
Energy: 0.9841804523491087
Energy: 0.6869233269771045
Energy: 0.8909121806359845
Energy: 0.6869233269771045
Energy: 0.8909121806355781
Energy: 0.6869233269771045
Energy: 0.8909121806359845
Energy: 1.052948435238948
Energy: 0.8934764625792585
Energy: 1.0529484352393546
Energy: 0.8934764625821042
Energy: 1.052948435238948
Energy: 0.8934764625593384
Energy: 0.6992209691877791
Energy: 0.6969986672824119
Energy: 0.6992209691865596
Energy: 0.6969986672881033
Energy: 0.6992209691857465
Energy: 0.6969986671576435
Energy: 0.6802525483508862
Energy: 0.8536829230358426
Energy: 0.6802525483508862
Energy: 0.8536829230354359
Energy: 0.6802525483508862
Energy: 0.8536829230354359
Energy: 0.7490998120764917
Energy: 0.8964885689963342
Energy: 0.7490998120768981
Energy: 0.8964885689963342
Energy: 0.7490998120768981
Energy: 0.8964885689963342
Energy: 0.7311343715227689
Energy: 0.731858626606254
Energy: 0.7311343715235821
Energy: 0.7318586266066605
Energy: 0.7311343715227689
Energy: 0.731858626606254
Energy: 0.7797470817115877
Energy: 0.6773421141455667
Energy: 0.7797470817115877
Energy: 0.6773421141451601
Energy: 0.7797470817115877
Energy: 0.6773421141459732
Energy: 0.7006922481786602
Energy: 0.6946486786615804
Energy: 0.7006922481786602
Energy: 0.6946486786615804
Energy: 0.7006922481786602
Energy: 0.6946486786611739
Energy: 0.875777880249054
Energy: 1.1646265189759932
Energy: 0.8757778802486474
Energy: 1.1646265189759932
Energy: 0.8757778802498671
Energy: 1.1646265189768064
Energy: 1.2401252001920307
Energy: 0.8627046818176513
Energy: 1.2401252001928436
Energy: 0.8627046818168381
Energy: 1.2401252001932503
Energy: 0.8627046818176513
Energy: 0.6760705685081878
Energy: 0.8587439799134041
Energy: 0.6760705685077812
Energy: 0.8587439799129976
Energy: 0.6760705685081878
Energy: 0.8587439799129976
Energy: 0.7103996022884957
Energy: 0.8435621970505452
Energy: 0.7103996023084158
Energy: 0.8435621970505452
Energy: 0.7103996022917479
Energy: 0.8435621970509519
Energy: 0.7349300667187177
Energy: 0.9241151721746991
Energy: 0.7349300667219699
Energy: 0.9241151721738861
Energy: 0.7349300667183112
Energy: 0.9241151721738861
Energy: 0.8178806757696347
Energy: 0.8359810751475254
Energy: 0.8178806757692283
Energy: 0.8359810751475254
Energy: 0.8178806757688217
Energy: 0.8359810751475254
Energy: 0.7010455419915208
Energy: 0.6900703912411553
Energy: 0.7010455419911144
Energy: 0.6900703912407488
Energy: 0.7010455419915208
Energy: 0.6900703912411553
Energy: 0.70741222943993
Energy: 1.1826618295549838
Energy: 0.7074122294403364
Energy: 1.1826618295553901
Energy: 0.7074122294403364
Energy: 1.1826618295549838
Energy: 1.0173915242170495
Energy: 0.8472764925543935
Energy: 1.01739152421461
Energy: 0.8472764925535803
Energy: 1.01739152421461
Energy: 0.8472764925547999
Energy: 0.7522990843763114
Energy: 0.894871669282924
Energy: 0.7522990843763114
Energy: 0.8948716692817045
Energy: 0.752299084376718
Energy: 0.8948716692821109
Energy: 1.016968373970142
Energy: 0.7235667572429226
Energy: 1.016968373970142
Energy: 0.723566757241703
Energy: 1.0169683739709552
Energy: 0.7235667572412965
Energy: 0.7074603877770743
Energy: 1.1841094091204944
Energy: 0.7074603877770743
Energy: 1.184109409120901
Energy: 0.7074603877766679
Energy: 1.1841094091204944
Energy: 0.7010033429066042
Energy: 0.6909762279190551
Energy: 0.7010033429070107
Energy: 0.6909762279194617
Energy: 0.7010033429066042
Energy: 0.6909762279190551
Energy: 0.8178271783103866
Energy: 0.8357635779825489
Energy: 0.8178271783103866
Energy: 0.8357635779829554
Energy: 0.8178271783103866
Energy: 0.8357635779825489

minimum gb energy = 0.6636907942583958 eV
minimum distance =  2.36885419799272 Angstroms
sigma value = 57


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

Energy: 0.5184795803847049
Energy: 0.5048813118580436
Energy: 0.30204997592339194
Energy: 0.5048813118580436
Energy: 0.5184795803847049
Energy: 0.5048813118580436
Energy: 0.5930935780596414
Energy: 0.5043011599895209
Energy: 0.5930935780605668
Energy: 0.5039717051036314
Energy: 0.5930935780605668
Energy: 0.5043011599885955
Energy: 0.5411741373215478
Energy: 0.9403700046271022
Energy: 0.5411741373224732
Energy: 0.8273370882758277
Energy: 0.5411741373224732
Energy: 0.9403700046280277
Energy: 0.5060563060618765
Energy: 0.41051851720493343
Energy: 0.5060563060618765
Energy: 0.3018876749512621
Energy: 0.5060563060618765
Energy: 0.41051851720493343
Energy: 0.39028285812335406
Energy: 0.5994862303676918
Energy: 0.39028285812335406
Energy: 0.5994862303686171
Energy: 0.39028285812335406
Energy: 0.5994862303676918
Energy: 0.30208367276015724
Energy: 1.3491802765963767
Energy: 0.30208367276015724
Energy: 1.3491802765963767
Energy: 0.30208367276015724
Energy: 1.3491802765963767
Energy: 0.3020902822363528
Energy: 0.3419167605324687
Energy: 0.30209028223820367
Energy: 0.34191676053339415
Energy: 0.30209028223820367
Energy: 0.34191676053339415
Energy: 0.5927754949061446
Energy: 0.3950560232467273
Energy: 0.5927754949061446
Energy: 0.3950560232467273
Energy: 0.5927754949052192
Energy: 0.3950560232467273
Energy: 0.5071758801140118
Energy: 0.30182054313962825
Energy: 0.5071758801149372
Energy: 0.41054184470458827
Energy: 0.5071758801149372
Energy: 0.30182054313962825
Energy: 0.34464758841134807
Energy: 1.1598349591741965
Energy: 0.34464758841134807
Energy: 1.159834959173271
Energy: 0.34464758841042265
Energy: 1.159834959173271
Energy: 0.3928219176995909
Energy: 1.1817191977676258
Energy: 0.39282191770051633
Energy: 1.1817191977667003
Energy: 0.3928219176995909
Energy: 1.181719197765775
Energy: 0.5184795803847049
Energy: 0.5048813118580436
Energy: 0.30204997592431737
Energy: 0.5048813118580436
Energy: 0.5184795803847049
Energy: 0.504881311858969
Energy: 0.5930935780596414
Energy: 0.5043011599885955
Energy: 0.5930935780596414
Energy: 0.5039717051036314
Energy: 0.5930935780605668
Energy: 0.5043011599885955
Energy: 0.5411741373215478
Energy: 0.9403700046271022
Energy: 0.5411741373215478
Energy: 0.8273370882767532
Energy: 0.5411741373215478
Energy: 0.9403700046280277
Energy: 0.5060563060618765
Energy: 0.41051851720585886
Energy: 0.5060563060618765
Energy: 0.3018876749503367
Energy: 0.506056306060951
Energy: 0.41051851720493343
Energy: 0.39028285812335406
Energy: 0.5994862303686171
Energy: 0.39028285812335406
Energy: 0.5994862303686171
Energy: 0.39028285812335406
Energy: 0.5994862303686171
Energy: 0.3020836727592318
Energy: 1.3491802765973022
Energy: 0.30208367276015724
Energy: 1.3491802765973022
Energy: 0.30208367276015724
Energy: 1.3491802765973022
Energy: 0.3020902822363528
Energy: 0.3419167605324687
Energy: 0.30209028223820367
Energy: 0.34191676053339415
Energy: 0.30209028223820367
Energy: 0.34191676053339415
Energy: 0.5927754949061446
Energy: 0.3950560232458018
Energy: 0.5927754949061446
Energy: 0.3950560232458018
Energy: 0.5927754949061446
Energy: 0.3950560232458018

minimum gb energy = 0.30182054313962825 eV
minimum distance =  2.45035916959048 Angstroms
sigma value = 11


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

Energy: 0.6504170592415152
Energy: 0.7535529794032437
Energy: 0.6504170592415152
Energy: 0.7535529794032437
Energy: 0.6504170592415152
Energy: 0.7535529794025658
Energy: 0.7873078696908186
Energy: 0.7297572290664389
Energy: 0.7873078696914965
Energy: 0.7297572290664389
Energy: 0.7873078696901408
Energy: 0.7297572290664389
Energy: 0.872952952498852
Energy: 1.0313662213884425
Energy: 0.9074018281579556
Energy: 1.0313662213891202
Energy: 0.9074018281593113
Energy: 1.0313662213891202
Energy: 0.9725401754884013
Energy: 0.6211904421433714
Energy: 0.9725401754890792
Energy: 0.6211904421433714
Energy: 0.9725401754884013
Energy: 0.6211904421433714
Energy: 0.739060249350159
Energy: 0.5493409512221672
Energy: 0.739060249350159
Energy: 0.5493409512221672
Energy: 0.739060249350159
Energy: 0.5493409512214893
Energy: 0.6842541226644987
Energy: 0.8003000227746208
Energy: 0.6842541226665322
Energy: 0.8003000227739429
Energy: 0.6842541226658544
Energy: 0.8003000227746208
Energy: 0.5592081187145022
Energy: 0.8036825798682803
Energy: 0.5592081187145022
Energy: 0.8036825798696362
Energy: 0.5592081187145022
Energy: 0.8036825798716698
Energy: 0.7536267153497579
Energy: 0.5245974492692521
Energy: 0.7536267153497579
Energy: 0.5245974492685742
Energy: 0.7536267153497579
Energy: 0.5245974492678962
Energy: 0.7489761066062437
Energy: 0.5412230179782902
Energy: 0.7489761066055659
Energy: 0.5412230179782902
Energy: 0.7489761066055659
Energy: 0.5412230179776123
Energy: 0.5386186394326713
Energy: 1.0444772505459912
Energy: 0.5386186394319934
Energy: 1.044477250547347
Energy: 0.5386186394319934
Energy: 1.0444772505480249
Energy: 0.6930229328078399
Energy: 1.0226545888653906
Energy: 0.693022932807162
Energy: 1.0226545888653906
Energy: 0.693022932807162
Energy: 1.0226545888653906
Energy: 0.7439593070855045
Energy: 0.5515589980502988
Energy: 0.7439593070855045
Energy: 0.5515589980509767
Energy: 0.7439593070855045
Energy: 0.5515589980502988
Energy: 0.7590778579798738
Energy: 0.6206749885356384
Energy: 0.7590778579798738
Energy: 0.6206749885349606
Energy: 0.7590778579798738
Energy: 0.6206749885356384
Energy: 0.8237139112383901
Energy: 0.9742298883951795
Energy: 0.8237139112383901
Energy: 0.9742298883945016
Energy: 0.8237139112383901
Energy: 0.9742298883945016
Energy: 0.7904149204601533
Energy: 0.7266414281065077
Energy: 0.7904149204594755
Energy: 0.7266414281065077
Energy: 0.7904149204594755
Energy: 0.7266414281065077
Energy: 0.6514079035163797
Energy: 0.7541084078272008
Energy: 0.6514079035157019
Energy: 0.7541084078272008
Energy: 0.6514079035163797
Energy: 0.754108407826523
Energy: 0.6518018826792898
Energy: 0.7460437417192258
Energy: 0.6518018826786118
Energy: 0.7460437417192258
Energy: 0.6518018826792898
Energy: 0.7460437417199037
Energy: 0.9490207288848448
Energy: 0.8429757441375655
Energy: 0.9490207288848448
Energy: 0.842975744134854
Energy: 0.9490207288848448
Energy: 0.8429757441334983
Energy: 0.9815788126527571
Energy: 0.5735447088544836
Energy: 0.9815788126527571
Energy: 0.5735447088565173
Energy: 0.9815788126527571
Energy: 0.5735447088558393
Energy: 0.7437567874054313
Energy: 0.649236674085479
Energy: 0.7437567874061092
Energy: 0.649236674085479
Energy: 0.7437567874061092
Energy: 0.649236674085479
Energy: 0.5382288556391908
Energy: 0.7551655487787116
Energy: 0.5382288556391908
Energy: 0.7551655487780337
Energy: 0.5382288556391908
Energy: 0.7551655487787116
Energy: 0.7477339006854457
Energy: 0.8019087863306349
Energy: 0.7477339006854457
Energy: 0.8019087863299572
Energy: 0.7477339006847677
Energy: 0.8019087863292793
Energy: 0.7544035728603278
Energy: 0.663968608372882
Energy: 0.7544035728603278
Energy: 0.6639686083749156
Energy: 0.7544035728603278
Energy: 0.663968608372882
Energy: 0.7501979670974972
Energy: 0.639967328761765
Energy: 0.7501979670974972
Energy: 0.639967328761765
Energy: 0.7501979670974972
Energy: 0.6399673287624428
Energy: 0.5387859657004451
Energy: 1.0253626252742492
Energy: 0.5387859657004451
Energy: 1.0253626252749268
Energy: 0.5387859656997673
Energy: 1.0253626252742492
Energy: 1.1983617354639382
Energy: 1.0169479133951067
Energy: 1.1983617354639382
Energy: 1.0169479133951067
Energy: 1.1983617354639382
Energy: 1.0169479133951067

minimum gb energy = 0.5245974492678962 eV
minimum distance =  2.36052504299743 Angstroms
sigma value = 41


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

Energy: 0.7412292122512603
Energy: 0.6394610847233603
Energy: 0.7412292122512603
Energy: 0.6394610847233603
Energy: 0.7412292122517946
Energy: 0.6394610847233603
Energy: 0.8129931742605889
Energy: 0.9158641013224826
Energy: 0.8129931742595204
Energy: 0.9158641013224826
Energy: 0.8129931742605889
Energy: 0.9158641013230169
Energy: 1.068763509340524
Energy: 1.2076595695620536
Energy: 1.068763509340524
Energy: 1.2076595695620536
Energy: 1.068763509340524
Energy: 1.2076595695620536
Energy: 0.78994189806492
Energy: 0.6360056192559562
Energy: 0.7899418980654541
Energy: 0.6360056192564905
Energy: 0.7899418980654541
Energy: 0.6360056192564905
Energy: 0.5926195887419269
Energy: 0.6425103108654704
Energy: 0.5926195887419269
Energy: 0.6425103108654704
Energy: 0.5926195887419269
Energy: 0.6425103108654704
Energy: 0.7946547721470145
Energy: 0.9223302309246705
Energy: 0.7946547721470145
Energy: 0.9223302309246705
Energy: 0.7946547721464803
Energy: 0.9223302309246705
Energy: 0.6110013493543274
Energy: 0.9797737521122741
Energy: 0.6110013493548616
Energy: 0.97977375211174
Energy: 0.6110013493543274
Energy: 0.97977375211174
Energy: 0.6038915172097604
Energy: 0.6362182385968772
Energy: 0.6038915172102947
Energy: 0.6362182385968772
Energy: 0.6038915172097604
Energy: 0.6362182385963429
Energy: 0.6042399984488236
Energy: 0.6350286080325125
Energy: 0.6042399984493577
Energy: 0.6350286080325125
Energy: 0.6042399984488236
Energy: 0.6350286080325125
Energy: 0.6597886229397519
Energy: 1.0926490522661627
Energy: 0.6597886229392176
Energy: 1.0926490522666967
Energy: 0.6597886229392176
Energy: 1.0926490522666967
Energy: 0.6595626585609403
Energy: 1.0674408702225933
Energy: 0.6595626585614747
Energy: 1.0674408702220588
Energy: 0.6595626585609403
Energy: 1.0674408702225933
Energy: 0.615371427022524
Energy: 0.91623060199365
Energy: 0.615371427022524
Energy: 0.9231432978560735
Energy: 0.615371427022524
Energy: 0.7544367411904579
Energy: 0.5958346819285009
Energy: 0.6264877199645925
Energy: 0.5958346819295695
Energy: 0.6264877199645925
Energy: 0.595834681929035
Energy: 0.6264877199645925
Energy: 0.5682147747616909
Energy: 1.299292629942979
Energy: 0.5682147747611567
Energy: 1.2992926299424448
Energy: 0.5682147747616909
Energy: 1.2992926299424448
Energy: 0.7910230959945854
Energy: 0.9964790028661886
Energy: 0.7910230959945854
Energy: 0.9964790028661886
Energy: 0.7910230959945854
Energy: 0.9964790028656543
Energy: 0.6017194084980518
Energy: 0.9321653351707664
Energy: 0.6017194084980518
Energy: 0.939683639553245
Energy: 0.6017194084980518
Energy: 0.8589876715346709
Energy: 0.6178626582714472
Energy: 0.6263004657227738
Energy: 0.6178626582714472
Energy: 0.6263004657227738
Energy: 0.6178626582714472
Energy: 0.6263004657227738
Energy: 0.8730769444505423
Energy: 1.2410301352404447
Energy: 0.8730769444505423
Energy: 1.241030135240979
Energy: 0.8730769444505423
Energy: 1.2410301352399102
Energy: 0.8135980190805541
Energy: 0.8618993951584646
Energy: 0.8135980190805541
Energy: 0.8618993951579305
Energy: 0.8135980190805541
Energy: 0.8618993951579305
Energy: 0.7338598688599391
Energy: 0.9110736927559114
Energy: 0.7338598688599391
Energy: 0.9792158997131812
Energy: 0.7338598688599391
Energy: 0.771861737136729
Energy: 0.6016518853255564
Energy: 0.9113065911708644
Energy: 0.601651885325022
Energy: 0.9113065911708644
Energy: 0.6016518853255564
Energy: 0.9113065911708644
Energy: 1.066898970561094
Energy: 1.106145470025184
Energy: 1.066898970561094
Energy: 1.1061454700267872
Energy: 1.066898970561094
Energy: 1.1061454700273214
Energy: 0.8068358362451711
Energy: 0.609183836717064
Energy: 0.8068358362451711
Energy: 0.6091838367175983
Energy: 0.8068358362451711
Energy: 0.609183836717064
Energy: 0.6018410764002292
Energy: 0.91941485403032
Energy: 0.6018410763996949
Energy: 0.9502222818448921
Energy: 0.6018410763996949
Energy: 0.8525379718459012
Energy: 0.5807639235587019
Energy: 0.9329008388533764
Energy: 0.5807639235587019
Energy: 0.9329008388533764
Energy: 0.5807639235587019
Energy: 0.9329008388533764
Energy: 0.6097120660989367
Energy: 0.628285510072807
Energy: 0.6097120660989367
Energy: 0.7477333263646837
Energy: 0.6097120660989367
Energy: 0.9543944662751481
Energy: 0.5915722089768983
Energy: 0.6088729660567685
Energy: 0.591572208976364
Energy: 0.6088729660567685
Energy: 0.5915722089768983
Energy: 0.6088729660567685
Energy: 0.6042327557174563
Energy: 0.9053679178132822
Energy: 0.6042327557174563
Energy: 0.9573821496224221
Energy: 0.6042327557174563
Energy: 0.7674327666584561
Energy: 0.7347356589690845
Energy: 0.9161014602757943
Energy: 0.7347356589696188
Energy: 0.9161014602763288
Energy: 0.7347356589690845
Energy: 0.9161014602757943
Energy: 0.8982527663110019
Energy: 0.592585988010689
Energy: 0.8982527663168792
Energy: 0.6520233139290446
Energy: 0.8982527663163449
Energy: 0.9437253971162493
Energy: 0.5894534546035028
Energy: 0.7466283213284057
Energy: 0.5894534546029684
Energy: 0.746628321327337
Energy: 0.5894534546035028
Energy: 0.7466283213284057
Energy: 0.6219013575984499
Energy: 0.7171960055217572
Energy: 0.6219013575984499
Energy: 0.7171960055217572
Energy: 0.6219013575989842
Energy: 0.7171960055217572
Energy: 0.5808868578415886
Energy: 0.7663965113589313
Energy: 0.5808868578415886
Energy: 0.7663965113594655
Energy: 0.5808868578415886
Energy: 0.7663965113594655

minimum gb energy = 0.5682147747611567 eV
minimum distance =  2.39585747788925 Angstroms
sigma value = 33


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

Energy: 0.8412042002685948
Energy: 0.6903285420269155
Energy: 0.7000034740321004
Energy: 0.6903285420269155
Energy: 0.8412042002682198
Energy: 0.6903285420272905
Energy: 1.0318606885207238
Energy: 0.660277344104297
Energy: 1.0318606885218486
Energy: 0.660277344104297
Energy: 1.0318606885214738
Energy: 0.660277344104297
Energy: 1.1570230236156003
Energy: 0.9945703722298929
Energy: 1.1570230236159753
Energy: 0.9945703722317678
Energy: 1.1570230236156003
Energy: 0.994570372228393
Energy: 1.0060520485752582
Energy: 0.6722312526358171
Energy: 1.0060520485745084
Energy: 0.6722312526358171
Energy: 1.0060520485748832
Energy: 0.6722312526361921
Energy: 0.683150179166906
Energy: 1.143583075879441
Energy: 0.6834402315282972
Energy: 1.143583075879441
Energy: 0.6831501791665311
Energy: 1.1435830758801906
Energy: 0.974965552554139
Energy: 0.651844189519352
Energy: 0.9749655525560138
Energy: 0.651844189519352
Energy: 0.974965552554139
Energy: 0.6518441895201019
Energy: 0.7033996627244813
Energy: 0.8399928662506059
Energy: 0.7033996627241063
Energy: 0.839992852446271
Energy: 0.7033996627237314
Energy: 0.8399928954589261
Energy: 0.7939932079822646
Energy: 0.8059311733595254
Energy: 0.7939932079822646
Energy: 0.8059311733591503
Energy: 0.7939932079822646
Energy: 0.8059311733591503
Energy: 1.121228605426771
Energy: 0.7116247659832544
Energy: 1.121224308015771
Energy: 0.7116247659832544
Energy: 1.1212286054263962
Energy: 0.7116247659866292
Energy: 1.012970727765292
Energy: 0.6790444335287772
Energy: 1.012970727767542
Energy: 0.6790444335287772
Energy: 1.012970727765667
Energy: 0.6790444335284022
Energy: 0.7348983340427997
Energy: 0.6930401723070085
Energy: 0.7348983340416749
Energy: 0.6930401723081334
Energy: 0.7348983340431747
Energy: 0.6930401723081334
Energy: 1.1669082864653364
Energy: 0.671789710138863
Energy: 1.1669082864660862
Energy: 0.6717897101384882
Energy: 1.1669082864653364
Energy: 0.6717897101358634
Energy: 0.6703822513692062
Energy: 1.129671577710283
Energy: 0.670382251369956
Energy: 1.129671577710283
Energy: 0.6703822513692062
Energy: 1.1296715777087831
Energy: 0.8095640269770676
Energy: 0.7821788389619613
Energy: 0.8095640269774426
Energy: 0.7821788389619613
Energy: 0.8095640269774426
Energy: 0.7821788389615862
Energy: 0.7187433067034722
Energy: 0.661293454484634
Energy: 0.7187433067030973
Energy: 0.661293454484634
Energy: 0.7187433067030973
Energy: 0.661293454483884
Energy: 0.7298465093458935
Energy: 0.9650290638302745
Energy: 0.7298465093466434
Energy: 0.9650290638298994
Energy: 0.7298465093455185
Energy: 0.9650290638302745
Energy: 1.1160788543499998
Energy: 0.6843953682245754
Energy: 1.1160788543481248
Energy: 0.6843953682245754
Energy: 1.116078854349625
Energy: 0.6843953682234505
Energy: 0.670420282053109
Energy: 0.9956003349071262
Energy: 0.6704651344292301
Energy: 0.9956003349071262
Energy: 0.670420282053109
Energy: 0.9956003349075011
Energy: 1.0000145289171727
Energy: 1.0787667793818134
Energy: 1.0000145289190476
Energy: 1.0787667793821885
Energy: 1.000014528917548
Energy: 1.0787667793829383
Energy: 1.1275325068315067
Energy: 0.6728224912218796
Energy: 1.1275325068307567
Energy: 0.6728224912215046
Energy: 1.1275325068318816
Energy: 0.6728224912207547
Energy: 0.671991034984041
Energy: 0.7111455774843487
Energy: 0.6719910349847908
Energy: 0.7111455774843487
Energy: 0.671991034984041
Energy: 0.7111455774847237
Energy: 0.6578411239480504
Energy: 1.0561163412072732
Energy: 0.6576071377457899
Energy: 1.0561163412076482
Energy: 0.6578411239476755
Energy: 1.056116341208398
Energy: 0.9128296634746585
Energy: 0.9274639235547792
Energy: 0.9128296634750335
Energy: 0.9274639235540293
Energy: 0.9128296634742834
Energy: 0.9274639235529044
Energy: 0.6745421748578327
Energy: 1.0051411495720093
Energy: 0.6745421748589576
Energy: 1.0051411495720093
Energy: 0.6745421748570829
Energy: 1.0051411495738842
Energy: 1.1406340649610724
Energy: 0.6846417643801558
Energy: 1.1406340649606976
Energy: 0.6846417643809057
Energy: 1.1406340649610724
Energy: 0.684641764378281
Energy: 0.6502190675853076
Energy: 0.9296179854321446
Energy: 0.6502190675853076
Energy: 0.9296179854321446
Energy: 0.6502190675856826
Energy: 0.9296179854313946
Energy: 0.9627926951695392
Energy: 0.7492729984160591
Energy: 0.9627926951702892
Energy: 0.749272998416434
Energy: 0.9627926951702892
Energy: 0.7492729984138093
Energy: 0.7972164552206749
Energy: 0.6746700079446458
Energy: 0.7589363339565365
Energy: 0.6746700079450209
Energy: 0.7972164552206749
Energy: 0.6746700079435209
Energy: 0.7125246257627224
Energy: 1.1289557393161187
Energy: 0.7125246257608475
Energy: 1.1289557393157437
Energy: 0.7125246257623474
Energy: 1.1289557393161187
Energy: 0.6768372163264418
Energy: 1.0123603306169244
Energy: 0.6768372163283166
Energy: 1.0123603306165496
Energy: 0.6768372163264418
Energy: 1.0123603306154245
Energy: 0.9303596494737199
Energy: 0.6719057647034914
Energy: 0.9303596494748448
Energy: 0.6719057647038664
Energy: 0.9303596494744698
Energy: 0.6719057647042413
Energy: 0.7000602409036555
Energy: 1.1675187482366896
Energy: 0.7001266026767733
Energy: 1.1675187482366896
Energy: 0.7000602409040304
Energy: 1.1675187482378144
Energy: 1.1378873325690273
Energy: 0.6879396812897101
Energy: 1.1378873325697774
Energy: 0.6879396812897101
Energy: 1.1378873325690273
Energy: 0.6879396812904601
Energy: 0.7330401327302266
Energy: 0.7905962322614464
Energy: 0.7330401327306016
Energy: 0.7905962322625714
Energy: 0.7330401327309767
Energy: 0.7905962322618214
Energy: 0.7960725543338752
Energy: 0.7559531700268465
Energy: 0.7960725543335001
Energy: 0.7559531700264714
Energy: 0.7960725543342501
Energy: 0.7559531700260966
Energy: 1.1274929059006493
Energy: 0.7234169982535851
Energy: 1.1274971790192023
Energy: 0.7234169982543349
Energy: 1.1274929059002743
Energy: 0.7234169982543349
Energy: 0.6971457714892303
Energy: 1.1264616298423338
Energy: 0.6971457714896052
Energy: 1.1264616298423338
Energy: 0.6971457714896052
Energy: 1.1264616298430838
Energy: 0.770327430232465
Energy: 0.6700050614555675
Energy: 0.7703274302317151
Energy: 0.6700050614551925
Energy: 0.7703274302317151
Energy: 0.6700050614544425
Energy: 0.7196511708294505
Energy: 0.9976972020836824
Energy: 0.7196578972303375
Energy: 0.9976972020833075
Energy: 0.7196511708290755
Energy: 0.9976972020821826
Energy: 0.6704516449257623
Energy: 1.1186963394305554
Energy: 0.6704516449253873
Energy: 1.11869633943018
Energy: 0.6704516449261372
Energy: 1.1186963394286804
Energy: 0.7130367849026795
Energy: 0.6749468915784752
Energy: 0.7130367849030544
Energy: 0.6749468915788501
Energy: 0.7130367849023045
Energy: 0.6749468915777252
Energy: 1.0574801719833524
Energy: 0.7123164002971163
Energy: 1.0574801719841023
Energy: 0.7123164002971163
Energy: 1.0574801719829774
Energy: 0.7123164002974912
Energy: 0.6928695530133989
Energy: 0.9135679173553287
Energy: 0.692869553012274
Energy: 0.9135679173553287
Energy: 0.6928695530137738
Energy: 0.9135679173553287
Energy: 1.1047983467327012
Energy: 0.684357357658082
Energy: 1.104798346734576
Energy: 0.6843573576584571
Energy: 1.1047983467323264
Energy: 0.684357357658832
Energy: 0.6961852229871254
Energy: 0.9917972376917332
Energy: 0.6961895583847006
Energy: 0.9917972376917332
Energy: 0.6961852229867505
Energy: 0.991797237693983
Energy: 0.9564089882785044
Energy: 0.875741706350911
Energy: 0.9564089882777544
Energy: 0.875741706350911
Energy: 0.9564089882781294
Energy: 0.8757417063516609
Energy: 0.6577042603590597
Energy: 1.0113062611672332
Energy: 0.6577042603613095
Energy: 1.011306261167608
Energy: 0.6577042603594346
Energy: 1.011306261168358

minimum gb energy = 0.6502190675853076 eV
minimum distance =  2.33992074778693 Angstroms
sigma value = 67


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

Energy: 0.746957266416978
Energy: 0.6769131630557661
Energy: 0.746957266416978
Energy: 0.6769131630560224
Energy: 0.7469572664167217
Energy: 0.6769131630557661
Energy: 0.7331011789371961
Energy: 0.66317223758417
Energy: 0.7331011789369398
Energy: 0.6631722375839421
Energy: 0.7331011789371961
Energy: 0.6631722375839421
Energy: 0.91179678420508
Energy: 0.867072531616145
Energy: 0.91179678420508
Energy: 0.8670725316156325
Energy: 1.1316224728945405
Energy: 0.8670725316158886
Energy: 0.7330936024893697
Energy: 0.6631648200863124
Energy: 0.7330936024893697
Energy: 0.6631648200865402
Energy: 0.7330936024895974
Energy: 0.6631648200863124
Energy: 0.746957266416978
Energy: 0.6769131630557661
Energy: 0.7469572664167217
Energy: 0.6769131630557661
Energy: 0.7469572664164653
Energy: 0.6769131630560224
Energy: 0.733101178936712
Energy: 0.6631722375834296
Energy: 0.7331011789364558
Energy: 0.6631722375836858
Energy: 0.733101178936712
Energy: 0.6631722375836858
Energy: 0.6855575473364965
Energy: 0.8670725316158886
Energy: 0.6855575473372655
Energy: 0.867072531616629
Energy: 0.6855575473367529
Energy: 0.867072531616145

minimum gb energy = 0.6631648200863124 eV
minimum distance =  2.38933394791631 Angstroms
sigma value = 3


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

Energy: 1.0964314657650116
Energy: 0.9157646926583979
Energy: 1.0964314657653216
Energy: 0.9157646926583979
Energy: 1.0964314657646397
Energy: 0.9157646926587079
Energy: 0.9761733115685107
Energy: 0.9170084763898708
Energy: 0.9761733115685107
Energy: 0.9170084763905528
Energy: 0.9761733115691927
Energy: 0.9170084763902429
Energy: 0.8326695875516212
Energy: 1.22790655882927
Energy: 0.8326695875523031
Energy: 1.22790655882927
Energy: 0.8326695875526133
Energy: 1.22790655882927
Energy: 1.0587756355102915
Energy: 0.9664187572233469
Energy: 1.0587756355109736
Energy: 0.9664187572233469
Energy: 1.0587756355109736
Energy: 0.9664187572236569
Energy: 0.9545280715750677
Energy: 0.9988145693156396
Energy: 0.9545280715750677
Energy: 0.9988145693156396
Energy: 0.9545280715754398
Energy: 0.9988145693149575
Energy: 0.8916739329428274
Energy: 1.0679647618588075
Energy: 0.8916739329428274
Energy: 1.0679647618584973
Energy: 0.8916739329428274
Energy: 1.0679647618584973
Energy: 1.0053337415117898
Energy: 1.171132171983462
Energy: 1.0053337415107357
Energy: 1.171132171983462
Energy: 1.0053337415121
Energy: 1.171132171982408
Energy: 1.0539892305326368
Energy: 0.8241100663028365
Energy: 1.0539892305326368
Energy: 0.8500224304852744
Energy: 1.0539892305322647
Energy: 0.8871398918304119
Energy: 0.873895228675072
Energy: 0.9579820611164473
Energy: 0.873895228675072
Energy: 0.9579820611167573
Energy: 0.873895228675072
Energy: 0.9579820611167573
Energy: 0.9136986934298018
Energy: 1.0942177482167799
Energy: 0.9136986934298018
Energy: 1.0942177482164077
Energy: 0.913698693430112
Energy: 1.0942177482170898
Energy: 1.121780805405307
Energy: 1.2407491139466564
Energy: 1.1217808054049967
Energy: 1.2407491139470288
Energy: 1.1217808054049967
Energy: 1.2407491139466564
Energy: 0.9650932281959431
Energy: 0.8829066032909153
Energy: 0.9650932281938969
Energy: 0.9073447891050566
Energy: 0.965093228194579
Energy: 0.9099952367594247
Energy: 0.8798640540180592
Energy: 0.9656297384359629
Energy: 0.8798640540180592
Energy: 0.9656297384359629
Energy: 0.8798640540183694
Energy: 0.9656297384359629
Energy: 0.9240989113784287
Energy: 1.1030534982683142
Energy: 0.9240989113784287
Energy: 1.1030534982679423
Energy: 0.9240989113781187
Energy: 1.1030534982683142
Energy: 1.2479789292536256
Energy: 1.074400140466191
Energy: 1.2479789292536256
Energy: 1.074400140466191
Energy: 1.2479789292539976
Energy: 1.0744001404668733
Energy: 1.0529166026497017
Energy: 0.935722392540905
Energy: 1.0529166026503838
Energy: 0.9357223925415868
Energy: 1.0529166026503838
Energy: 0.9161969586140103
Energy: 0.9625704859546322
Energy: 0.9510750775142338
Energy: 0.9625704859542603
Energy: 0.9510750775146061
Energy: 0.9625704859546322
Energy: 0.9510750775146061
Energy: 0.9493279795008551
Energy: 1.113860162407342
Energy: 0.9493279795015371
Energy: 1.113860162407652
Energy: 0.9493279795012272
Energy: 1.1138601624069702
Energy: 1.1735977860560702
Energy: 1.0474440086488637
Energy: 1.1735977860563802
Energy: 1.0474440086481818
Energy: 1.1735977860560702
Energy: 1.0474440086481818
Energy: 0.9651676425156701
Energy: 0.9313161108839223
Energy: 0.9651676425153601
Energy: 0.9580231480404657
Energy: 0.9651676425156701
Energy: 0.9241734505221664
Energy: 0.920962366585571
Energy: 1.0703013870082836
Energy: 0.920962366585571
Energy: 1.0703013870086555
Energy: 0.920962366585261
Energy: 1.0703013870082836
Energy: 0.9036243483146097
Energy: 1.1342159414990352
Energy: 0.9036243483146097
Energy: 1.1342159414993453
Energy: 0.9036243483146097
Energy: 1.1342159414990352
Energy: 1.1562263283516403
Energy: 0.893949089916954
Energy: 1.1562263283519505
Energy: 0.893949089917264
Energy: 1.1562263283512684
Energy: 0.8939490899165821
Energy: 0.9698105991541089
Energy: 0.9367963596094413
Energy: 0.969810599153799
Energy: 0.9367963596094413
Energy: 0.9698105991541089
Energy: 0.9367963596097514
Energy: 0.9176089726117821
Energy: 1.0704436310780394
Energy: 0.9176089726114721
Energy: 1.0704436310780394
Energy: 0.9176089726114721
Energy: 1.0704436310777292
Energy: 0.9243031735755448
Energy: 1.0446720071178623
Energy: 0.9243031735742427
Energy: 1.0446720071174904
Energy: 0.9243031735759167
Energy: 1.0446720071178623
Energy: 1.1580879206058177
Energy: 0.8946150245471406
Energy: 1.1580879206058177
Energy: 0.8946150245471406
Energy: 1.1580879206054455
Energy: 0.8946150245471406
Energy: 0.9227026456228198
Energy: 0.9127318485431634
Energy: 0.9227026456231917
Energy: 0.938731631562267
Energy: 0.9227026456235018
Energy: 0.9198814451915961
Energy: 0.9817971594203275
Energy: 0.9458988135654339
Energy: 0.9817971594206375
Energy: 0.9458988135658061
Energy: 0.9817971594203275
Energy: 0.9458988135654339
Energy: 1.0040104438275852
Energy: 0.8916262948582462
Energy: 1.004010443826593
Energy: 0.8916262948579362
Energy: 1.0040104438286392
Energy: 0.8916262948579362
Energy: 1.3103214691391492
Energy: 0.9945933608205515
Energy: 1.3103214691391492
Energy: 0.9945933608198695
Energy: 1.3103214691391492
Energy: 0.9945933608198695
Energy: 1.0069364056011056
Energy: 0.923765419693778
Energy: 1.0069364056011056
Energy: 0.923765419694088
Energy: 1.0069364056014156
Energy: 0.923765419693778
Energy: 0.9226404260829155
Energy: 0.9206940108518938
Energy: 0.9226404260829155
Energy: 0.9206940108522657
Energy: 0.9226404260826053
Energy: 0.9206940108518938
Energy: 0.9927759456596844
Energy: 0.9508200439846053
Energy: 0.9927759456596844
Energy: 0.9508200439842333
Energy: 0.9927759456593744
Energy: 0.9508200439839232
Energy: 0.9261871992880205
Energy: 0.94335904128614
Energy: 0.9261871992880205
Energy: 0.94335904128614
Energy: 0.9261871992883925
Energy: 0.94335904128645
Energy: 0.895034906719522
Energy: 1.04563351421227
Energy: 0.895034906719522
Energy: 1.0456335142118978
Energy: 0.8950349067202041
Energy: 1.04563351421227
Energy: 0.8891773892122729
Energy: 0.9488972850158967
Energy: 0.8891773892136369
Energy: 0.9488972850152144
Energy: 0.8891773892119007
Energy: 0.9488972850149046
Energy: 1.0905159563850908
Energy: 0.8670445514666578
Energy: 1.0905159563854008
Energy: 0.8670445514666578
Energy: 1.0905159563847187
Energy: 0.8670445514666578
Energy: 0.7728488258925115
Energy: 1.065982200026598
Energy: 0.7728488258915194
Energy: 1.0659822000256056
Energy: 0.7728488258925115
Energy: 1.0659822000262877
Energy: 0.94359400173377
Energy: 1.0460725171718888
Energy: 0.9435940017341418
Energy: 1.0460725171715168
Energy: 0.9435940017344517
Energy: 1.0460725171715168
Energy: 0.9928310164511892
Energy: 0.9796282790653239
Energy: 0.9928310164515614
Energy: 0.9796282790650139
Energy: 0.9928310164515614
Energy: 0.9796282790650139
Energy: 1.2259567116203256
Energy: 0.8173214161042562
Energy: 1.2259567116206977
Energy: 0.8173214161035742
Energy: 1.2259567116210077
Energy: 0.817321416103946
Energy: 0.7865862867626193
Energy: 1.1119513131466348
Energy: 0.7865862867622474
Energy: 1.1119513131466348
Energy: 0.7865862867626193
Energy: 1.1119513131463248
Energy: 0.9557133529428123
Energy: 0.9637069309455618
Energy: 0.9557133529431844
Energy: 0.9637069309455618
Energy: 0.9557133529431844
Energy: 0.9637069309455618
Energy: 1.0802290942743578
Energy: 0.9423375000314159
Energy: 1.0802290942743578
Energy: 0.942337500032098
Energy: 1.0802290942743578
Energy: 0.9423375000314159
Energy: 1.160094919441903
Energy: 0.8292827564959061
Energy: 1.160094919442275
Energy: 0.8292827564952241
Energy: 1.160094919442275
Energy: 0.8292827564996265
Energy: 0.8641849156469498
Energy: 1.058843358761969
Energy: 0.8641849156473219
Energy: 1.058843358761287
Energy: 0.8641849156473219
Energy: 1.058843358761969
Energy: 0.8833508704997348
Energy: 0.9122282661775801
Energy: 0.8833508705000448
Energy: 0.9122282661775801
Energy: 0.8833508705000448
Energy: 0.9122282661775801
Energy: 0.9930108983166879
Energy: 0.9905119207503857
Energy: 0.9930108983166879
Energy: 0.9905119207500757
Energy: 0.9930108983163777
Energy: 0.9905119207497037
Energy: 0.9872206218089027
Energy: 1.0130865084007672
Energy: 0.9872206218092747
Energy: 1.013086508401449
Energy: 0.9872206218095847
Energy: 1.0130865084034952
Energy: 0.9166932491984038
Energy: 0.9941025238740657
Energy: 0.9166932491984038
Energy: 0.9941025238730737
Energy: 0.9166932491984038
Energy: 0.99410252387543

minimum gb energy = 0.7728488258915194 eV
minimum distance =  2.29414831573233 Angstroms
sigma value = 81


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

Energy: 1.0249036555884237
Energy: 0.9426071196146848
Energy: 0.9804251848606769
Energy: 0.9426071196160888
Energy: 1.0249036555893598
Energy: 0.9426071196156207
Energy: 0.8923559322507603
Energy: 0.9548501237590038
Energy: 0.8923559322507603
Energy: 0.954850123761344
Energy: 0.8923559322507603
Energy: 0.9548501237585356
Energy: 1.0185321072880573
Energy: 1.0290665869458242
Energy: 0.9855741472533072
Energy: 1.0290665869453561
Energy: 1.0185321072885254
Energy: 1.0290665869453561
Energy: 0.9054054280980892
Energy: 1.0235681961579426
Energy: 0.9054054280980892
Energy: 1.0235681961588785
Energy: 0.9054054280985573
Energy: 1.0235681961584107
Energy: 0.8935843791504585
Energy: 0.8914805666833193
Energy: 0.8935843791504585
Energy: 0.8914805666833193
Energy: 0.8935843791504585
Energy: 0.8914805666828511
Energy: 0.9147179332879638
Energy: 0.9209978179179085
Energy: 0.9147179332879638
Energy: 0.9209978179174405
Energy: 0.9147179332879638
Energy: 0.9209978179174405
Energy: 0.9909239589083328
Energy: 1.0885516866951581
Energy: 0.9909578726526449
Energy: 1.0885516866956262
Energy: 0.9909239589083328
Energy: 1.0885516866951581
Energy: 0.9800353952622842
Energy: 1.1839921289800839
Energy: 0.9800524033750585
Energy: 1.1839921289786794
Energy: 0.9800353952627523
Energy: 1.1839921289786794
Energy: 1.037278601474434
Energy: 1.0042263660483375
Energy: 1.037278601474434
Energy: 1.0042263660474011
Energy: 1.037278601474902
Energy: 1.0042263660478692
Energy: 0.8907581097174578
Energy: 1.322604199018891
Energy: 0.8907581097165216
Energy: 1.322604199018891
Energy: 0.8907581097169898
Energy: 1.322604199018891
Energy: 1.1057525135878934
Energy: 1.1928892041859185
Energy: 1.105752513588829
Energy: 1.1928892041845145
Energy: 1.1057525135878934
Energy: 1.1928892041845145
Energy: 0.9644711098849162
Energy: 0.8818507355874723
Energy: 0.9644711098844482
Energy: 0.8818507355874723
Energy: 0.9644711098849162
Energy: 0.8818507355870042
Energy: 0.9019787441852376
Energy: 0.8967664080521788
Energy: 0.9019787441852376
Energy: 0.8967664080526467
Energy: 0.9019787441857057
Energy: 0.8967664080526467
Energy: 1.0009779175504003
Energy: 1.0685490917839713
Energy: 1.0009779175504003
Energy: 1.0685490917839713
Energy: 1.0009779175508684
Energy: 1.0685490917830356
Energy: 1.119748992315672
Energy: 0.8570879110099501
Energy: 1.119748992317544
Energy: 0.857087911009014
Energy: 1.1197489923142676
Energy: 0.8570879110094821
Energy: 1.084114036547089
Energy: 0.878458793529807
Energy: 1.0841140365480253
Energy: 0.8784587935307432
Energy: 1.0841140365480253
Energy: 0.878458793530275
Energy: 0.981055125469603
Energy: 0.9567038379924924
Energy: 0.9810551254686669
Energy: 0.9567038379915563
Energy: 0.981055125469135
Energy: 0.9567038379915563
Energy: 0.843751996342467
Energy: 1.100550722410467
Energy: 0.8232391293791304
Energy: 1.1005507224118714
Energy: 0.8437519963419988
Energy: 1.1005507224118714
Energy: 0.9802341796462899
Energy: 1.0381352720951902
Energy: 0.9802341796462899
Energy: 1.0381352720965942
Energy: 0.9802341796453538
Energy: 1.0381352720965942
Energy: 1.0401793637323977
Energy: 1.0127325559543645
Energy: 1.0401793637328658
Energy: 1.0127325559538964
Energy: 1.0401793637338022
Energy: 1.0127325559534284
Energy: 0.923088787612569
Energy: 0.8962922077431802
Energy: 0.923088787612569
Energy: 0.896292207742712
Energy: 0.9230887876135049
Energy: 0.896292207742712
Energy: 0.9353289410425591
Energy: 0.9178581686224467
Energy: 0.8886082346868982
Energy: 0.9178581686224467
Energy: 0.9353289410434953
Energy: 0.9178581686219788
Energy: 0.9929511154858955
Energy: 0.9387554781414933
Energy: 0.9428462718061495
Energy: 0.9387554781405573
Energy: 0.9929511154854275
Energy: 0.9387554781400892
Energy: 1.1705194581938456
Energy: 0.9094850696493038
Energy: 1.1705194581938456
Energy: 0.909485069650708
Energy: 1.1705194581933773
Energy: 0.909485069650708
Energy: 1.003672643542051
Energy: 1.032023591028412
Energy: 1.0036726435415828
Energy: 1.0320235910279438
Energy: 1.003672643542051
Energy: 1.0320235910279438
Energy: 1.0069413944479697
Energy: 1.0706773586400384
Energy: 1.0069413944484378
Energy: 1.0706773586405065
Energy: 1.0069413944484378
Energy: 1.0706773586405065
Energy: 0.8210832803833358
Energy: 0.9601453649436711
Energy: 0.8210832803847399
Energy: 0.9601453649460113
Energy: 0.8210832803852078
Energy: 0.9601453649455434
Energy: 1.0410298099158162
Energy: 0.9549358711118834
Energy: 1.0413810589946277
Energy: 0.9549358711114153
Energy: 1.041029809916752
Energy: 0.9549358711114153
Energy: 0.9506824901983724
Energy: 0.8937867514405715
Energy: 0.9557182457921776
Energy: 0.8937867514396355
Energy: 0.950682490196968
Energy: 0.8937867514396355
Energy: 1.0397163333412367
Energy: 0.8689783521021742
Energy: 1.0397163333417048
Energy: 0.8689783521031103
Energy: 1.0397163333412367
Energy: 0.8689783521035784
Energy: 1.0197787749899496
Energy: 1.1840167713866532
Energy: 1.0197787749913538
Energy: 1.184016771385717
Energy: 1.0197787749913538
Energy: 1.1840167713852487
Energy: 0.8859781697351087
Energy: 0.9021901506219194
Energy: 0.8859781697341725
Energy: 0.9021901506228553
Energy: 0.8859781697341725
Energy: 0.9021901506223875
Energy: 0.9645692548011557
Energy: 0.9488071112113985
Energy: 0.9645692548002196
Energy: 0.9488071112118666
Energy: 0.9645692548002196
Energy: 0.9488071112113985
Energy: 1.059888267620754
Energy: 0.9890292674563951
Energy: 1.0598882676198178
Energy: 0.989029267454991
Energy: 1.0598882676198178
Energy: 0.989029267454991
Energy: 0.9182073931071603
Energy: 1.3361695234084419
Energy: 0.9182195700473921
Energy: 1.3361695234075057
Energy: 0.91820739310482
Energy: 1.3361695234079738
Energy: 1.0288292392135547
Energy: 1.0275384008016004
Energy: 1.0288292392130867
Energy: 1.0275384008020687
Energy: 1.0288292392130867
Energy: 1.0275384008020687
Energy: 0.949000877464389
Energy: 0.9283281787920751
Energy: 0.949000877465325
Energy: 0.9283281787920751
Energy: 0.949000877464389
Energy: 0.9283281787920751
Energy: 0.9784158582933997
Energy: 1.0472826761379992
Energy: 0.9784158582924636
Energy: 1.0472826761379992
Energy: 0.9784158582924636
Energy: 1.0472826761379992

minimum gb energy = 0.8210832803833358 eV
minimum distance =  2.30322609120809 Angstroms
sigma value = 43


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

Energy: 1.1017810798513838
Energy: 0.8434147867195212
Energy: 1.101781079850809
Energy: 0.8434147867189463
Energy: 1.101781079850809
Energy: 0.8434147867195212
Energy: 0.9926546711075463
Energy: 0.8620739607490826
Energy: 0.9926546711075463
Energy: 0.8620739607496575
Energy: 0.9926546711075463
Energy: 0.8620739607496575
Energy: 0.8800026903295683
Energy: 1.0817948088548488
Energy: 0.8800026903295683
Energy: 1.0817948088548488
Energy: 0.9009564618717392
Energy: 1.0817948088548488
Energy: 1.0194952493842246
Energy: 0.913566401335183
Energy: 1.0194952493842246
Energy: 0.913566401335183
Energy: 1.0194952493842246
Energy: 0.913566401335183
Energy: 0.9091565725175869
Energy: 0.935395762498093
Energy: 0.9091565725181617
Energy: 0.935395762498093
Energy: 0.9091565725175869
Energy: 0.935395762498668
Energy: 0.921214819953638
Energy: 1.0269646513018804
Energy: 0.9212148199530631
Energy: 1.0269646512955561
Energy: 0.9212148199530631
Energy: 1.0269646513018804
Energy: 0.9629390123022471
Energy: 1.1421947531495267
Energy: 0.9629390123022471
Energy: 1.1421947531501015
Energy: 0.9629390123022471
Energy: 1.1421947531501015
Energy: 0.9628178063309096
Energy: 0.9304088448249807
Energy: 0.9628178063309096
Energy: 0.9304088448261304
Energy: 0.9628178063303348
Energy: 0.9304088448255555
Energy: 0.9680505762932146
Energy: 0.9099428426862037
Energy: 0.9680505762932146
Energy: 0.9099428426862037
Energy: 0.9680505762932146
Energy: 0.9099428426862037
Energy: 0.9165367727080569
Energy: 1.0371013950209516
Energy: 0.916536772707482
Energy: 1.0371013950209516
Energy: 0.916536772707482
Energy: 1.0371013950209516
Energy: 1.0951705206503233
Energy: 0.9718489400206071
Energy: 1.0951705206508981
Energy: 0.9718489400206071
Energy: 1.0951705206497484
Energy: 0.9718489400211819
Energy: 0.9425687625563671
Energy: 0.9515033149524712
Energy: 0.9425687625563671
Energy: 0.9515033149519224
Energy: 0.9425687625557922
Energy: 0.9515033149519224
Energy: 0.9154426783908339
Energy: 1.052384915287354
Energy: 0.9154426783919837
Energy: 1.052384915287354
Energy: 0.9154426783919837
Energy: 1.052384915287354
Energy: 0.9173242166943204
Energy: 1.1402647623422768
Energy: 0.9173242166943204
Energy: 1.1402647623422768
Energy: 0.9173242166943204
Energy: 1.1402647623422768
Energy: 0.9787816075160821
Energy: 0.964679445180535
Energy: 0.978781607516657
Energy: 0.964679445180535
Energy: 0.9787816075160821
Energy: 0.964679445180535
Energy: 0.9493494164639785
Energy: 0.9291757080427289
Energy: 0.9493494164639785
Energy: 0.9291757080427289
Energy: 0.9493494164639785
Energy: 0.929175708042154
Energy: 1.015512095939216
Energy: 0.867936232277742
Energy: 1.0155120959397907
Energy: 0.8679362322800417
Energy: 1.015512095939216
Energy: 0.867936232276592
Energy: 1.1891785514374633
Energy: 0.895675993969981
Energy: 1.1891785514374633
Energy: 0.8956759939682561
Energy: 1.1891785514374633
Energy: 0.8956759939688312
Energy: 1.1954431817273417
Energy: 0.9302112313205267
Energy: 1.1954431817267666
Energy: 0.9302112313205267
Energy: 1.1954431817267666
Energy: 0.9302112313205267
Energy: 1.0157129383131802
Energy: 0.9465720115480527
Energy: 1.0157129383131802
Energy: 0.9465720115480527
Energy: 1.0157129383131802
Energy: 0.9465720115474776
Energy: 0.9522865897703088
Energy: 0.937282764008252
Energy: 0.9522865897697339
Energy: 0.937282764008252
Energy: 0.9522865897703088
Energy: 0.937282764008252
Energy: 1.0564562844480339
Energy: 0.8932016790266204
Energy: 1.0564562844480339
Energy: 0.8932016790266204
Energy: 1.0564562844480339
Energy: 0.8932016790266204
Energy: 0.9412101627167084
Energy: 1.0088866667420884
Energy: 0.9412101627167084
Energy: 1.0088866667420884
Energy: 0.9412101627167084
Energy: 1.0088866667420884
Energy: 0.9516680091377574
Energy: 1.0541497365261108
Energy: 0.9516680091377574
Energy: 1.0541497365261108
Energy: 0.9516680091377574
Energy: 1.0541497365261108
Energy: 0.9897609457274896
Energy: 0.9142174931237587
Energy: 0.9897609457280645
Energy: 0.9142174931237587
Energy: 0.9897609457274896
Energy: 0.9142174931237587
Energy: 1.0990959186273976
Energy: 0.9732739608658433
Energy: 1.0990959186273976
Energy: 0.9732739608658433
Energy: 1.0990959186273976
Energy: 0.9732739608658433
Energy: 0.9743159452789438
Energy: 1.0156336612953447
Energy: 0.9743159452789438
Energy: 1.0156336612953447
Energy: 0.9743159452789438
Energy: 1.0156336612953447
Energy: 0.9995458458025183
Energy: 0.9142143689331805
Energy: 0.9995458458025183
Energy: 0.9142143689331805
Energy: 0.9995458458025183
Energy: 0.9142143689331805
Energy: 0.9896097900205357
Energy: 0.9094100073390282
Energy: 0.9896097900205357
Energy: 0.9094100073390282
Energy: 0.9896097900211108
Energy: 0.9094100073390282
Energy: 1.101404747723057
Energy: 1.1001221458873534
Energy: 1.101404747723057
Energy: 1.1001221458873534
Energy: 1.101404747723057
Energy: 1.1001221458873534
Energy: 0.9221325785884019
Energy: 1.016501961654585
Energy: 0.9221325785884019
Energy: 1.016501961654585
Energy: 0.9221325785889768
Energy: 1.016501961654585

minimum gb energy = 0.8434147867189463 eV
minimum distance =  2.31161104173237 Angstroms
sigma value = 57


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

Energy: 1.0461531178184604
Energy: 0.7897002928572934
Energy: 1.0461531178184604
Energy: 0.7897002928572934
Energy: 1.0461531178184604
Energy: 0.7897002928572934
Energy: 0.8423868353826304
Energy: 0.833310085726084
Energy: 0.8423868353826304
Energy: 0.833310085726084
Energy: 0.8423868353826304
Energy: 0.833310085726084
Energy: 0.9085130253081594
Energy: 0.9443613350352548
Energy: 0.9085130253089038
Energy: 0.9443613350352548
Energy: 0.9085130253089038
Energy: 0.9443613350352548
Energy: 1.1509362797478737
Energy: 0.9452478819198836
Energy: 1.1509362797478737
Energy: 0.9452478819198836
Energy: 1.1509362797478737
Energy: 0.9452478819198836
Energy: 1.061580079435077
Energy: 0.9453348426478176
Energy: 1.0615800794343326
Energy: 0.9453348426470732
Energy: 1.061580079435077
Energy: 0.9453348426470732
Energy: 0.9484978924248335
Energy: 0.9397077038580588
Energy: 0.9484978924248335
Energy: 0.9397077038580588
Energy: 0.9484978924248335
Energy: 0.9397077038580588
Energy: 1.0069471971399158
Energy: 1.026024579014576
Energy: 1.0069471971399158
Energy: 1.026024579014576
Energy: 1.0069471971399158
Energy: 1.026024579014576
Energy: 0.9760257856208303
Energy: 0.7901520127861393
Energy: 0.976025785620086
Energy: 0.7901520127861393
Energy: 0.9760257856193416
Energy: 0.7901520127861393
Energy: 0.9606187670212788
Energy: 0.8284818065039896
Energy: 0.9606187670220232
Energy: 0.8284818065039896
Energy: 0.9606187670220232
Energy: 0.8284818065039896
Energy: 0.7352592805660373
Energy: 0.9791820792639607
Energy: 0.7352592805652929
Energy: 0.9791820792639607
Energy: 0.7352592805652929
Energy: 0.9791820792639607
Energy: 0.8670744570689581
Energy: 0.8739598163475196
Energy: 0.8670744570689581
Energy: 0.8739598163475196
Energy: 0.8670744570697025
Energy: 0.8739598163475196
Energy: 0.9838659023237049
Energy: 0.9921490306318077
Energy: 0.9838659023244493
Energy: 0.9921490306318077
Energy: 0.9838659023237049
Energy: 0.9921490306310633
Energy: 0.8830195714309701
Energy: 0.8282526104009342
Energy: 0.8830195714302257
Energy: 0.8282526104016786
Energy: 0.8830195714309701
Energy: 0.8282526104009342
Energy: 0.9149408284929592
Energy: 0.8555860636764864
Energy: 0.9149408284929592
Energy: 0.8555860636772308
Energy: 0.9149408284929592
Energy: 0.8555860636772308
Energy: 1.0117031128245573
Energy: 0.8286286211641343
Energy: 1.0117031128253018
Energy: 0.8286286211641343
Energy: 1.0117031128253018
Energy: 0.8286286211641343
Energy: 1.0492723352243716
Energy: 0.8173535103878842
Energy: 1.0492723352243716
Energy: 0.8173535103871398
Energy: 1.049272335225116
Energy: 0.8173535103871398
Energy: 0.7362414759092993
Energy: 0.8429651028493554
Energy: 0.736241475908555
Energy: 0.8429651028493554
Energy: 0.7362414759092993
Energy: 0.842965102848611
Energy: 0.871403080243385
Energy: 0.8719854156419083
Energy: 0.871403080243385
Energy: 0.8719854156426529
Energy: 0.871403080243385
Energy: 0.8719854156426529
Energy: 0.7362842595702436
Energy: 0.8428807224111441
Energy: 0.7362842595702436
Energy: 0.8428807224111441
Energy: 0.7362842595702436
Energy: 0.8428807224111441
Energy: 1.0491124208212619
Energy: 0.8175559879156479
Energy: 1.0491124208205176
Energy: 0.8175559879163923
Energy: 1.0491124208212619
Energy: 0.8175559879163923
Energy: 1.0113898671341999
Energy: 0.8284917097881882
Energy: 1.0113898671297334
Energy: 0.8284917097881882
Energy: 1.0113898671319668
Energy: 0.8284917097881882
Energy: 0.9150092311557612
Energy: 0.8961255177415814
Energy: 0.9150092311557612
Energy: 0.8961255177415814
Energy: 0.9150092311550166
Energy: 0.8961255177415814
Energy: 0.8829207750791098
Energy: 0.8280754125215516
Energy: 0.8829207750783654
Energy: 0.8280754125215516
Energy: 0.8829207750791098
Energy: 0.8280754125208071
Energy: 0.9838176654353188
Energy: 0.9919627773191287
Energy: 0.9838176654345744
Energy: 0.9919627773191287
Energy: 0.9838176654345744
Energy: 0.9919627773191287

minimum gb energy = 0.7352592805652929 eV
minimum distance =  2.3359521075854 Angstroms
sigma value = 17


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

Energy: 1.0540266926672062
Energy: 0.751336352017044
Energy: 1.0540266926672062
Energy: 0.7513363520180968
Energy: 1.0540266926672062
Energy: 0.7513363520180968
Energy: 0.846478515793701
Energy: 0.9112069112813241
Energy: 0.846478515793701
Energy: 0.9112069112813241
Energy: 0.846478515793701
Energy: 0.9112069112813241
Energy: 0.8304226579272125
Energy: 0.8532873347425087
Energy: 0.8304226579272125
Energy: 0.8532873347425087
Energy: 0.8304226579272125
Energy: 0.8532873347425087
Energy: 0.9838298554825174
Energy: 1.0152657538098078
Energy: 0.9838298554825174
Energy: 1.0152657538098078
Energy: 0.9838298554814646
Energy: 1.0152657538098078
Energy: 0.9403888853487197
Energy: 0.9577773345951887
Energy: 0.9403888853476668
Energy: 0.9577773345951887
Energy: 0.9403888853476668
Energy: 0.9577773345951887
Energy: 0.9778267522188941
Energy: 0.8165464212788877
Energy: 0.9778267522188941
Energy: 0.8165464212788877
Energy: 0.9778267522188941
Energy: 0.8165464212788877
Energy: 0.8149197870642896
Energy: 0.7372736306539105
Energy: 0.8149197870653422
Energy: 0.7372736306539105
Energy: 0.8149197870642896
Energy: 0.7372736306539105
Energy: 0.9548693001421527
Energy: 0.938095256984745
Energy: 0.9548693001421527
Energy: 0.9380952569826396
Energy: 0.9548693001421527
Energy: 0.938095256984745
Energy: 0.807092152773689
Energy: 0.9835596245106142
Energy: 0.807092152773689
Energy: 0.9835596245116668
Energy: 0.8070921527726364
Energy: 0.9835596245116668
Energy: 0.8955703757740189
Energy: 0.9049975823886881
Energy: 0.8955703757740189
Energy: 0.9049975823886881
Energy: 0.8955703757740189
Energy: 0.9049975823886881
Energy: 0.9000591717634742
Energy: 0.8325775404681847
Energy: 0.9000591717645268
Energy: 0.8325775404681847
Energy: 0.9000591717655796
Energy: 0.8325775404681847
Energy: 0.9235344759766987
Energy: 0.9974955399388613
Energy: 0.9235344759766987
Energy: 0.997495539939914
Energy: 0.9235344759766987
Energy: 0.9974955399388613
Energy: 0.6829364672029553
Energy: 0.937686228975072
Energy: 0.682936467204008
Energy: 0.937686228975072
Energy: 0.6829364672029553
Energy: 0.937686228975072
Energy: 0.7724901843407836
Energy: 0.8274089282381166
Energy: 0.7724901843407836
Energy: 0.8274089282381166
Energy: 0.7724901843407836
Energy: 0.8274089282381166
Energy: 0.7905137828801839
Energy: 0.9436053073423805
Energy: 0.7905137828812365
Energy: 0.9436053073423805
Energy: 0.7905137828812365
Energy: 0.9436053073423805
Energy: 0.7883449934024821
Energy: 0.9538550341082124
Energy: 0.7883449934014293
Energy: 0.9538550341082124
Energy: 0.7883449934024821
Energy: 0.9538550341082124
Energy: 0.771035864884014
Energy: 0.8271538564677303
Energy: 0.7710358648850667
Energy: 0.8271538564677303
Energy: 0.771035864884014
Energy: 0.8271538564677303

minimum gb energy = 0.6829364672029553 eV
minimum distance =  2.37774255394299 Angstroms
sigma value = 17


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

Energy: 1.0353278486503763
Energy: 0.6742892387430481
Energy: 1.0353278486499697
Energy: 0.6742892387418286
Energy: 1.0353278486499697
Energy: 0.6742892387418286
Energy: 0.8141191780254725
Energy: 0.7850789793044612
Energy: 0.8141191780250658
Energy: 0.7850789793044612
Energy: 0.8141191780258791
Energy: 0.7850789793052745
Energy: 0.7627937169153014
Energy: 0.8023423637870458
Energy: 0.7627937169148948
Energy: 0.8023423637874524
Energy: 0.7627937169148948
Energy: 0.8023423637870458
Energy: 0.9277315874778509
Energy: 0.7351529522540322
Energy: 0.9277315874782573
Energy: 0.7351529522548453
Energy: 0.9277315874782573
Energy: 0.7351529522540322
Energy: 0.9816762898294278
Energy: 0.7810937433544536
Energy: 0.9816762898294278
Energy: 0.7810937433544536
Energy: 0.9816762898294278
Energy: 0.7810937433544536
Energy: 0.7346858565330736
Energy: 0.7690330350982613
Energy: 0.7346858565322606
Energy: 0.7690330350986678
Energy: 0.7346858565314476
Energy: 0.7690330350982613
Energy: 0.8349491997220365
Energy: 0.7539601368474067
Energy: 0.8349491997220365
Energy: 0.7539601368474067
Energy: 0.83494919972163
Energy: 0.7539601368470001
Energy: 0.8740212642541956
Energy: 0.8571089086389823
Energy: 0.8740212642541956
Energy: 0.8571089086389823
Energy: 0.8740212642546021
Energy: 0.8571089086389823
Energy: 0.8460035883592983
Energy: 0.8268171147978484
Energy: 0.8460035883588918
Energy: 0.8268171147974418
Energy: 0.8460035883592983
Energy: 0.8268171147974418
Energy: 0.7977950328559357
Energy: 0.6751155384182322
Energy: 0.7977950328555291
Energy: 0.6751155384182322
Energy: 0.7977950328563422
Energy: 0.6751155384178256
Energy: 0.8991555470787934
Energy: 0.8368545837759788
Energy: 0.8991555470792
Energy: 0.8368545837763851
Energy: 0.8991555470779804
Energy: 0.8368545837759788
Energy: 0.7678071729808456
Energy: 0.9581618038823474
Energy: 0.7678071729808456
Energy: 0.958161803882754
Energy: 0.7678071729796259
Energy: 0.9581618038823474
Energy: 0.816128310068582
Energy: 0.8026526958683897
Energy: 0.816128310068582
Energy: 0.8026526958700159
Energy: 0.816128310068582
Energy: 0.8026526958683897
Energy: 0.9195300691776409
Energy: 0.7785106591455873
Energy: 0.9195300691776409
Energy: 0.7785106591459938
Energy: 0.9195300691776409
Energy: 0.7785106591459938
Energy: 0.8368273952397025
Energy: 0.9511071764493255
Energy: 0.836827395239296
Energy: 0.9511071764497321
Energy: 0.8368273952388893
Energy: 0.9511071764493255
Energy: 0.700790201996424
Energy: 0.8500837405296312
Energy: 0.7007902019960174
Energy: 0.8500837405292245
Energy: 0.7007902019968304
Energy: 0.8229477902921899
Energy: 0.7026360467219759
Energy: 0.727091924496163
Energy: 0.7026360467211629
Energy: 0.727091924496163
Energy: 0.7026360467219759
Energy: 0.7270919244957563
Energy: 0.883059605915505
Energy: 0.9006941446329527
Energy: 0.8830596059150984
Energy: 0.9006941446329527
Energy: 0.8830596059146918
Energy: 0.9006941446329527
Energy: 0.768589586887181
Energy: 0.8200794906976285
Energy: 0.7685895868879941
Energy: 0.8200794906980351
Energy: 0.7685895868875876
Energy: 0.820079490697222
Energy: 0.70144105830947
Energy: 0.7155214180643131
Energy: 0.7014410583090634
Energy: 0.7302251865589331
Energy: 0.7014410583082504
Energy: 0.7058430294632687
Energy: 0.7685371916837679
Energy: 0.8198760022073477
Energy: 0.7685371916833613
Energy: 0.8198760022081608
Energy: 0.7685371916841743
Energy: 0.8198760022081608
Energy: 0.8829395099323806
Energy: 0.9006943994686942
Energy: 0.8829395099323806
Energy: 0.9006943994686942
Energy: 0.8829395099323806
Energy: 0.9006943994686942
Energy: 0.7034055939514099
Energy: 0.7269340885175282
Energy: 0.7034055939510034
Energy: 0.7269340885175282
Energy: 0.7034055939514099
Energy: 0.7269340885175282
Energy: 0.7002379615013467
Energy: 0.875426737071667
Energy: 0.7002379615005336
Energy: 0.875426737071667
Energy: 0.7002379615017532
Energy: 0.8754267370720734
Energy: 0.836127100860458
Energy: 0.951107676647943
Energy: 0.8361271008584252
Energy: 0.9511076766483496
Energy: 0.8361271008596448
Energy: 0.9511076766471299
Energy: 0.9194450522665828
Energy: 0.7784422909961937
Energy: 0.9194450522665828
Energy: 0.7784422909957872
Energy: 0.9194450522661762
Energy: 0.7784422909961937
Energy: 0.8342746660831168
Energy: 0.8024412662783619
Energy: 0.8342746660831168
Energy: 0.802441266279988
Energy: 0.8342746660831168
Energy: 0.8024412662783619
Energy: 0.7679088137674043
Energy: 0.958211813471315
Energy: 0.7679088137669977
Energy: 0.9582118134717215
Energy: 0.7679088137674043
Energy: 0.958211813471315
Energy: 0.8992000370722306
Energy: 0.8984481844249426
Energy: 0.8992000370722306
Energy: 0.898448184425349
Energy: 0.899200037071824
Energy: 0.8984481844249426
Energy: 0.7976240351171577
Energy: 0.7704814155891111
Energy: 0.7976240351171577
Energy: 0.7704814155895177
Energy: 0.7976240351167511
Energy: 0.7704814155891111
Energy: 0.8461281265061567
Energy: 0.8266022324678717
Energy: 0.8461281265065632
Energy: 0.8266022324682784
Energy: 0.8461281265065632
Energy: 0.8266022324674653
Energy: 0.8740171476765531
Energy: 0.857036240915544
Energy: 0.8740171476769597
Energy: 0.857036240915544
Energy: 0.8740171476769597
Energy: 0.857036240915544
Energy: 0.8355910650947681
Energy: 0.7540184423351729
Energy: 0.8355910650943617
Energy: 0.7540184423351729
Energy: 0.8355910650947681
Energy: 0.7540184423355795
Energy: 0.7344627355124699
Energy: 0.7804091670533319
Energy: 0.7344627355120632
Energy: 0.7804091670533319
Energy: 0.7344627355120632
Energy: 0.7804091670533319
Energy: 0.9817600709367921
Energy: 0.7811900732944792
Energy: 0.9817600709367921
Energy: 0.7811900732944792
Energy: 0.9817600709367921
Energy: 0.7811900732944792
Energy: 0.9277125928896381
Energy: 0.7349143084471264
Energy: 0.9277125928900445
Energy: 0.7349143084475328
Energy: 0.9277125928900445
Energy: 0.7349143084471264
Energy: 0.7627232812476048
Energy: 0.802484576799017
Energy: 0.7627232812476048
Energy: 0.8024845767994234
Energy: 0.7627232812476048
Energy: 0.802484576799017
Energy: 0.8141688362559074
Energy: 0.7906989841065236
Energy: 0.8141688362550945
Energy: 0.7906989841065236
Energy: 0.8141688362555011
Energy: 0.790698984106117
Energy: 1.0353278486511894
Energy: 0.6742892387430481
Energy: 1.0353278486507829
Energy: 0.6742892387418286
Energy: 1.0353278486511894
Energy: 0.6742892387426417
Energy: 0.8141191780254725
Energy: 0.7850789793060874
Energy: 0.8141191780250658
Energy: 0.785078979306494
Energy: 0.8141191780250658
Energy: 0.785078979305681
Energy: 0.7627937169153014
Energy: 0.8023423637862328
Energy: 0.7627937169153014
Energy: 0.8023423637866391
Energy: 0.7627937169153014
Energy: 0.8023423637866391
Energy: 0.9277315874782573
Energy: 0.7514126077337522
Energy: 0.9277315874782573
Energy: 0.7514126077317196
Energy: 0.9277315874786639
Energy: 0.7514126077317196
Energy: 0.9816762898290212
Energy: 0.7810937433544536
Energy: 0.9816762898290212
Energy: 0.78109374335486
Energy: 0.9816762898290212
Energy: 0.7810937433540469

minimum gb energy = 0.6742892387418286 eV
minimum distance =  2.29617814370736 Angstroms
sigma value = 57


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

Energy: 0.9854213765500941
Energy: 0.623634031341277
Energy: 0.9854213765507561
Energy: 0.623634031341277
Energy: 0.9854213765500941
Energy: 0.623634031341277
Energy: 0.7334462319939179
Energy: 0.7262585485458732
Energy: 0.7334462319952417
Energy: 0.7262585485458732
Energy: 0.7334462319959036
Energy: 0.7262585485458732
Energy: 0.70772614334691
Energy: 0.7397066217643161
Energy: 0.70772614334691
Energy: 0.7397066217643161
Energy: 0.7077261433475719
Energy: 0.739706621764978
Energy: 0.8936281732062598
Energy: 0.6997446256580651
Energy: 0.8936281732069217
Energy: 0.699744625658727
Energy: 0.8936281732069217
Energy: 0.6997446256580651
Energy: 0.8930251546805398
Energy: 0.7064110114492984
Energy: 0.8930251546805398
Energy: 0.7064110114479746
Energy: 0.8930251546805398
Energy: 0.7064110114492984
Energy: 0.6888034143209829
Energy: 0.7107780760840618
Energy: 0.6888034143209829
Energy: 0.7107780760847238
Energy: 0.6888034143209829
Energy: 0.7107780760847238
Energy: 0.8429032322309943
Energy: 0.780762303198001
Energy: 0.8429032322316562
Energy: 0.7807623031986629
Energy: 0.8429032322323181
Energy: 0.780762303198001
Energy: 0.7957307923797211
Energy: 0.8050007236482752
Energy: 0.7957307923797211
Energy: 0.8050007236482752
Energy: 0.7957307923790593
Energy: 0.8050007236482752
Energy: 0.7491420167049203
Energy: 0.7100063965058214
Energy: 0.7491420167049203
Energy: 0.7100063965058214
Energy: 0.7491420167049203
Energy: 0.7100063965064833
Energy: 0.7248407150675467
Energy: 0.690182638153649
Energy: 0.7248407150682086
Energy: 0.690182638153649
Energy: 0.7248407150682086
Energy: 0.6901826381529871
Energy: 0.8440690321894901
Energy: 0.804443843794761
Energy: 0.8440690321894901
Energy: 0.8044438437954229
Energy: 0.8440690321888282
Energy: 0.8044438437940991
Energy: 0.6632286761410708
Energy: 0.822620251866402
Energy: 0.6632286761410708
Energy: 0.8226202518683878
Energy: 0.6632286761410708
Energy: 0.822620251867064
Energy: 0.7252700413784284
Energy: 0.7314254994951905
Energy: 0.7252700413784284
Energy: 0.7314254994951905
Energy: 0.7252700413784284
Energy: 0.7314254994951905
Energy: 0.850774277463216
Energy: 0.7558917383517841
Energy: 0.8507742774618922
Energy: 0.7558917383511222
Energy: 0.8507742774625541
Energy: 0.755891738352446
Energy: 0.7107590874891153
Energy: 0.9176323317470952
Energy: 0.7107590874891153
Energy: 0.9176323317477572
Energy: 0.7107590874891153
Energy: 0.9176323317484191
Energy: 0.7557277565835337
Energy: 0.7360399759551323
Energy: 0.7557277565835337
Energy: 0.7360399759538083
Energy: 0.7557277565835337
Energy: 0.7360399759538083
Energy: 0.8594549398280072
Energy: 0.7230339588373423
Energy: 0.8594549398293311
Energy: 0.7230339588353565
Energy: 0.8594549398280072
Energy: 0.7230339588360185
Energy: 0.7432116352252884
Energy: 0.9158808451052035
Energy: 0.7432116352259505
Energy: 0.9158808451052035
Energy: 0.7432116352259505
Energy: 0.9158808451052035
Energy: 0.7237186198197294
Energy: 0.7830428008488868
Energy: 0.7237186198197294
Energy: 0.7830428008488868
Energy: 0.7237186198197294
Energy: 0.7830428008495487
Energy: 0.8353244793451704
Energy: 0.690140400456317
Energy: 0.8353244793451704
Energy: 0.690140400456317
Energy: 0.8353244793451704
Energy: 0.690140400456317
Energy: 0.7793609818626785
Energy: 0.8434911836918456
Energy: 0.7793609818626785
Energy: 0.8434911836918456
Energy: 0.7793609818620166
Energy: 0.8434911836918456
Energy: 0.692939479236144
Energy: 0.7820588431906436
Energy: 0.692939479236806
Energy: 0.7820588431899816
Energy: 0.692939479236144
Energy: 0.7820588431899816
Energy: 0.6478488683919023
Energy: 0.6602490405359138
Energy: 0.6478488683912403
Energy: 0.6602490405359138
Energy: 0.6478488683912403
Energy: 0.6602490405359138
Energy: 0.7113608462700982
Energy: 0.7821806397957066
Energy: 0.7113608462694363
Energy: 0.7821806397937208
Energy: 0.7113608462687745
Energy: 0.7821806397937208
Energy: 0.7281413768550126
Energy: 0.8240758111872618
Energy: 0.7281413768550126
Energy: 0.8240758111872618
Energy: 0.7281413768543507
Energy: 0.8240758111872618
Energy: 0.727524517281156
Energy: 0.6601836182194107
Energy: 0.727524517281156
Energy: 0.6601836182194107
Energy: 0.727524517281156
Energy: 0.6601836182187488
Energy: 0.6889545971904287
Energy: 0.7858543866153025
Energy: 0.6889545971904287
Energy: 0.7858543866133166
Energy: 0.6889545971904287
Energy: 0.7858543866139786

minimum gb energy = 0.623634031341277 eV
minimum distance =  2.33134360715575 Angstroms
sigma value = 43


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

Energy: 0.9180294602009519
Energy: 0.5604827005318507
Energy: 0.9180294602009519
Energy: 0.5604827005318507
Energy: 0.9180294602009519
Energy: 0.5604827005313684
Energy: 0.6429018795953223
Energy: 0.6613632191731507
Energy: 0.6429018795953223
Energy: 0.6613632191731507
Energy: 0.6429018795953223
Energy: 0.6613632191726684
Energy: 0.6137302319367672
Energy: 0.6629816821079892
Energy: 0.6137302319367672
Energy: 0.6629816821084714
Energy: 0.6137302319367672
Energy: 0.6629816821079892
Energy: 0.8458313044307562
Energy: 0.5960855268046403
Energy: 0.8458313044302739
Energy: 0.5960855268046403
Energy: 0.8458313044302739
Energy: 0.5960855268046403
Energy: 0.7489620917242951
Energy: 0.7099539482792261
Energy: 0.7489620917252596
Energy: 0.7099539482787438
Energy: 0.7489620917252596
Energy: 0.7099539482787438
Energy: 0.5953848927206619
Energy: 0.6238254903786968
Energy: 0.5953848927206619
Energy: 0.6238254903791791
Energy: 0.5953848927206619
Energy: 0.6238254903786968
Energy: 0.7855023180618739
Energy: 0.6550366847396696
Energy: 0.7855023180628384
Energy: 0.6550366847391873
Energy: 0.7855023180618739
Energy: 0.6550366847391873
Energy: 0.7751938409281964
Energy: 0.6869129907185846
Energy: 0.7751938409277142
Energy: 0.6869129907185846
Energy: 0.7751938409281964
Energy: 0.6869129907185846
Energy: 0.5669053723534578
Energy: 0.6157883554029805
Energy: 0.5669053723534578
Energy: 0.6157883554029805
Energy: 0.5669053723534578
Energy: 0.6157883554024982
Energy: 0.6269922794530278
Energy: 0.6329931032441597
Energy: 0.6269922794530278
Energy: 0.6329931032441597
Energy: 0.6269922794525455
Energy: 0.632993103244642
Energy: 0.695428934748053
Energy: 0.7114381109204908
Energy: 0.6954289347475707
Energy: 0.7114381109204908
Energy: 0.6954289347475707
Energy: 0.7114381109204908
Energy: 0.5354205974632126
Energy: 0.6146459723195874
Energy: 0.5354205974627303
Energy: 0.614645972319105
Energy: 0.5354205974627303
Energy: 0.6146459723195874
Energy: 0.6267184940753979
Energy: 0.5281696412694309
Energy: 0.6267184940763625
Energy: 0.5281696412699133
Energy: 0.6267184940753979
Energy: 0.5281696412708778
Energy: 0.7098713414704061
Energy: 0.7082545470594503
Energy: 0.7098713414694415
Energy: 0.7082545470594503
Energy: 0.7098713414704061
Energy: 0.7082545470599325
Energy: 0.6317426273140271
Energy: 0.6146029323073204
Energy: 0.6317426273140271
Energy: 0.6146029323058735
Energy: 0.6317426273140271
Energy: 0.6146029323063558
Energy: 0.6426224718606208
Energy: 0.5975937179938832
Energy: 0.6426224718606208
Energy: 0.5975937179938832
Energy: 0.6426224718611031
Energy: 0.5975937179938832
Energy: 0.7398411931810985
Energy: 0.7043165788493182
Energy: 0.7398411931810985
Energy: 0.7043165788493182
Energy: 0.7398411931810985
Energy: 0.7043165788493182
Energy: 0.5689712495957033
Energy: 0.7588270734301915
Energy: 0.5689712495961856
Energy: 0.758827073431156
Energy: 0.5689712495961856
Energy: 0.7588270734306738
Energy: 0.6223631372902413
Energy: 0.6343504773175882
Energy: 0.6223631372902413
Energy: 0.6343504773175882
Energy: 0.6223631372902413
Energy: 0.6343504773175882
Energy: 0.7278308768113492
Energy: 0.7631478599009266
Energy: 0.7278308768113492
Energy: 0.7631478599009266
Energy: 0.7278308768113492
Energy: 0.7631478599004442
Energy: 0.607626777402645
Energy: 0.894507257689033
Energy: 0.607626777402645
Energy: 0.894507257689033
Energy: 0.6076267774031272
Energy: 0.894507257689033
Energy: 0.668517528778375
Energy: 0.6447822791755683
Energy: 0.6685175287788574
Energy: 0.6447822791746038
Energy: 0.668517528778375
Energy: 0.6447822791755683
Energy: 0.7457481063231238
Energy: 0.6244719920474296
Energy: 0.7457481063236061
Energy: 0.624471992047912
Energy: 0.7457481063231238
Energy: 0.6244719920474296
Energy: 0.6391355140472946
Energy: 0.8930628086761883
Energy: 0.6391355140477769
Energy: 0.8930628086761883
Energy: 0.6391355140472946
Energy: 0.8930628086761883
Energy: 0.6331176140224966
Energy: 0.6496282847754744
Energy: 0.6331176140224966
Energy: 0.6496282847754744
Energy: 0.6331176140224966
Energy: 0.6496282847754744
Energy: 0.7000584872079131
Energy: 0.6019628389208417
Energy: 0.7000584872079131
Energy: 0.6019628389208417
Energy: 0.7000584872079131
Energy: 0.6019628389208417
Energy: 0.5766569798331347
Energy: 0.8285449767981015
Energy: 0.5766569798326524
Energy: 0.8285449767981015
Energy: 0.5766569798331347
Energy: 0.8285449767976192
Energy: 0.5927502873401466
Energy: 0.6312889542881271
Energy: 0.5927502873401466
Energy: 0.6312889542876449
Energy: 0.592750287340629
Energy: 0.6312889542881271
Energy: 0.6112400000457785
Energy: 0.5649768265693067
Energy: 0.6112400000452962
Energy: 0.5649768265702713
Energy: 0.6112400000462608
Energy: 0.5649768265693067
Energy: 0.6286940737784746
Energy: 0.7689740339671307
Energy: 0.6286940737784746
Energy: 0.768974033967613
Energy: 0.6286940737784746
Energy: 0.7689740339671307
Energy: 0.5834884788462837
Energy: 0.8041155158941138
Energy: 0.5834884788462837
Energy: 0.8041155158941138
Energy: 0.5834884788462837
Energy: 0.8041155158941138
Energy: 0.6112593626242633
Energy: 0.5456391618083999
Energy: 0.6112593626247456
Energy: 0.5456391618079176
Energy: 0.6112593626247456
Energy: 0.5456391618083999
Energy: 0.5665110674117646
Energy: 0.6543924905574734
Energy: 0.5665110674122469
Energy: 0.6543924905579557
Energy: 0.5665110674136937
Energy: 0.6543924905574734
Energy: 0.6847455968437813
Energy: 0.7820557205598404
Energy: 0.6847455968437813
Energy: 0.7820557205598404
Energy: 0.6847455968437813
Energy: 0.7820557205598404
Energy: 0.6102487047025505
Energy: 0.6083822995357437
Energy: 0.6102487047025505
Energy: 0.6083822995352614
Energy: 0.6102487047025505
Energy: 0.6083822995357437
Energy: 0.554611151659358
Energy: 0.6074086368499324
Energy: 0.554611151659358
Energy: 0.6074086368499324
Energy: 0.5546111516598402
Energy: 0.6074086368504147

minimum gb energy = 0.5281696412694309 eV
minimum distance =  2.33612900648076 Angstroms
sigma value = 81


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

Energy: 0.03542782157177211
Energy: 0.06747991977395382
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.4350427620304908
Energy: 0.03605798938539514
Energy: 0.4350427620304908
Energy: 0.03605798929151768
Energy: 0.4350427620304908
Energy: 0.036057989587306195
Energy: 0.435069150696632
Energy: 0.03596260401984333
Energy: 0.435069150696632
Energy: 0.03596260398442281
Energy: 0.435069150696632
Energy: 0.03596260399682703
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.4350427620304908
Energy: 0.03605800109154421
Energy: 0.4350427620304908
Energy: 0.03605800097996655
Energy: 0.4350427620304908
Energy: 0.03605800093745791
Energy: 0.435069150696632
Energy: 0.035962605582091564
Energy: 0.435069150696632
Energy: 0.035962605583863605
Energy: 0.435069150696632
Energy: 0.03596260553958292
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.03542782157177211
Energy: 0.06747991977395382
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.4350427620304908
Energy: 0.03605801495864695
Energy: 0.4350427620304908
Energy: 0.03605801506313648
Energy: 0.4350427620304908
Energy: 0.03605801487183749
Energy: 0.435069150696632
Energy: 0.03596260743658426
Energy: 0.435069150696632
Energy: 0.03596260733030257
Energy: 0.435069150696632
Energy: 0.035962607371039186
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.03542782157177211
Energy: 0.06747991977218178
Energy: 0.03542782157177211
Energy: 0.06747991977218178

minimum gb energy = 0.03542782157177211 eV
minimum distance =  2.53124519444788 Angstroms
sigma value = 3


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

Energy: 0.8710066102313658
Energy: 0.5450272532682909
Energy: 0.8710066102318963
Energy: 0.5450272532682909
Energy: 0.8710066102313658
Energy: 0.5450272532682909
Energy: 0.5733809986517978
Energy: 0.6384604371361213
Energy: 0.5733809986523281
Energy: 0.6384604371361213
Energy: 0.5733809986517978
Energy: 0.6384604371361213
Energy: 0.6201362302030274
Energy: 0.6431572170366632
Energy: 0.6513405221189058
Energy: 0.6431572170366632
Energy: 0.6389978956368434
Energy: 0.6431572170371935
Energy: 0.7862406489887769
Energy: 0.5773911198439583
Energy: 0.7862406489882467
Energy: 0.5773911198439583
Energy: 0.7862406489882467
Energy: 0.577391119843428
Energy: 0.6180390295785476
Energy: 0.6999698368150772
Energy: 0.6180390295785476
Energy: 0.699969836814547
Energy: 0.6180390295785476
Energy: 0.6999698368150772
Energy: 0.5586543882394014
Energy: 0.6204960137159584
Energy: 0.5586543882388713
Energy: 0.6204960137159584
Energy: 0.5586543882394014
Energy: 0.6204960137159584
Energy: 0.7213442070581642
Energy: 0.6316216587712223
Energy: 0.7213442070581642
Energy: 0.6316216587717527
Energy: 0.7213442070581642
Energy: 0.6316216587717527
Energy: 0.6225823646508676
Energy: 0.6899375284907503
Energy: 0.6225823646508676
Energy: 0.6899375284907503
Energy: 0.6225823646508676
Energy: 0.6899375284907503
Energy: 0.602952350723351
Energy: 0.6200199119992255
Energy: 0.602952350723351
Energy: 0.6200199119992255
Energy: 0.6029523507228206
Energy: 0.6200199119992255
Energy: 0.7330966983742314
Energy: 0.610115262040519
Energy: 0.7330966983737011
Energy: 0.610115262040519
Energy: 0.7330966983737011
Energy: 0.610115262040519
Energy: 0.5980939599548991
Energy: 0.6269180983502152
Energy: 0.5980939599548991
Energy: 0.6269180983496848
Energy: 0.5980939599548991
Energy: 0.6269180983496848
Energy: 0.6328857731689109
Energy: 0.5883868373989909
Energy: 0.6328857731689109
Energy: 0.5883868373984606
Energy: 0.6328857731689109
Energy: 0.5883868373989909
Energy: 0.646375966639299
Energy: 0.6017543959534823
Energy: 0.646375966639299
Energy: 0.6017543959534823
Energy: 0.646375966639299
Energy: 0.6017543959534823
Energy: 0.6071171995959441
Energy: 0.6793834372451778
Energy: 0.6071171995959441
Energy: 0.6793834372451778
Energy: 0.6071171995964743
Energy: 0.6793834372457082
Energy: 0.6230614558994251
Energy: 0.6221029115273976
Energy: 0.6230614558994251
Energy: 0.6221029115279278
Energy: 0.6230614558994251
Energy: 0.6221029115273976
Energy: 0.7056467025388409
Energy: 0.6136215166829039
Energy: 0.7056467025388409
Energy: 0.6136215166829039
Energy: 0.7056467025388409
Energy: 0.6136215166834342
Energy: 0.6104260983420233
Energy: 0.735187826767541
Energy: 0.6104260983425535
Energy: 0.735187826767541
Energy: 0.6104260983425535
Energy: 0.7351878267680714
Energy: 0.6416836313528359
Energy: 0.6053290405895877
Energy: 0.6416836313523056
Energy: 0.6053290405890575
Energy: 0.6416836313523056
Energy: 0.6053290405895877
Energy: 0.6418418660466266
Energy: 0.6024624833016309
Energy: 0.6418418660471569
Energy: 0.6024624833011005
Energy: 0.6418418660471569
Energy: 0.6024624833011005
Energy: 0.6184485461984376
Energy: 0.8127844671292759
Energy: 0.6184485461984376
Energy: 0.8127844671292759
Energy: 0.6184485461984376
Energy: 0.8127844671287455
Energy: 0.6139022943147905
Energy: 0.5995147267827724
Energy: 0.6139022943147905
Energy: 0.5995147267822423
Energy: 0.6139022943147905
Energy: 0.5995147267827724
Energy: 0.6800761087883367
Energy: 0.6274747365236808
Energy: 0.6800761087883367
Energy: 0.6274747365236808
Energy: 0.6800761087883367
Energy: 0.6274747365236808
Energy: 0.594021531092828
Energy: 0.8143276733017515
Energy: 0.594021531092828
Energy: 0.8143276733022817
Energy: 0.594021531092828
Energy: 0.8143276733022817
Energy: 0.6539040285751264
Energy: 0.5865898882661129
Energy: 0.6539040285756569
Energy: 0.5865898882671735
Energy: 0.6539040285677266
Energy: 0.5865898882687643
Energy: 0.6317828078168749
Energy: 0.5786320469476322
Energy: 0.6317828078163444
Energy: 0.5786320469481625
Energy: 0.6317828078168749
Energy: 0.5786320469476322
Energy: 0.5686028921158729
Energy: 0.6654291754724354
Energy: 0.5686028921158729
Energy: 0.6654291754724354
Energy: 0.5686028921158729
Energy: 0.6654291754713748
Energy: 0.6500003693687055
Energy: 0.5601291608580493
Energy: 0.6500003693692359
Energy: 0.5601291608580493
Energy: 0.6500003693687055
Energy: 0.5601291608580493
Energy: 0.6495534960165534
Energy: 0.602200754875365
Energy: 0.6495534960170838
Energy: 0.602200754875365
Energy: 0.6495534960165534
Energy: 0.602200754875365
Energy: 0.5406082806779193
Energy: 0.7642802105722903
Energy: 0.5406082806779193
Energy: 0.7642802105722903
Energy: 0.5406082806779193
Energy: 0.76428021057176
Energy: 0.7410434136868724
Energy: 0.6110903030455255
Energy: 0.7410434136863422
Energy: 0.6110903030455255
Energy: 0.7410434136868724
Energy: 0.6110903030455255
Energy: 0.6762472311250568
Energy: 0.6092122984293213
Energy: 0.6762472311250568
Energy: 0.6092122984293213
Energy: 0.6762472311250568
Energy: 0.6092122984293213
Energy: 0.6576327909452626
Energy: 0.6269831649975591
Energy: 0.6576327909452626
Energy: 0.6269831649975591
Energy: 0.6576327909452626
Energy: 0.6269831649975591
Energy: 0.674539904315443
Energy: 0.6108727789151488
Energy: 0.674539904315443
Energy: 0.6108727789151488
Energy: 0.674539904315443
Energy: 0.610872778915679

minimum gb energy = 0.5406082806779193 eV
minimum distance =  2.37140653904255 Angstroms
sigma value = 67


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

Energy: 0.895292901746701
Energy: 0.7048160202992608
Energy: 0.8952929017459453
Energy: 0.7048160202985051
Energy: 0.8952929017444341
Energy: 0.7048160202992608
Energy: 0.7009615320120357
Energy: 0.7617156033886805
Energy: 0.7009615320112802
Energy: 0.7617156033886805
Energy: 0.7009615320112802
Energy: 0.7617156033886805
Energy: 0.7750991798218222
Energy: 0.7620362532657016
Energy: 0.7750991798218222
Energy: 0.7620362532657016
Energy: 0.8255738292845284
Energy: 0.7620362532657016
Energy: 0.8067158482254928
Energy: 0.6911887735876109
Energy: 0.8067158482254928
Energy: 0.6911887735876109
Energy: 0.8067158482262485
Energy: 0.6911887735883665
Energy: 0.7551850900079532
Energy: 0.7613133786719515
Energy: 0.7551850900079532
Energy: 0.7613133786711959
Energy: 0.7551850900079532
Energy: 0.7613133786711959
Energy: 0.7345576992677216
Energy: 0.7482714071320183
Energy: 0.7345576992677216
Energy: 0.7482714071312627
Energy: 0.7345576992677216
Energy: 0.7482714071312627
Energy: 0.8961419505647584
Energy: 0.7674579092259132
Energy: 0.8961419505647584
Energy: 0.7674579092259132
Energy: 0.8961419505647584
Energy: 0.7674579092251576
Energy: 0.7364592625295864
Energy: 0.864554651286593
Energy: 0.7364592625303421
Energy: 0.864554651286593
Energy: 0.7364592625295864
Energy: 0.864554651286593
Energy: 0.7977786157170463
Energy: 0.8113769812801237
Energy: 0.7977786157170463
Energy: 0.8113769812801237
Energy: 0.7977786157170463
Energy: 0.8113769812801237
Energy: 0.7406470274347358
Energy: 0.7623856868851857
Energy: 0.7406470274347358
Energy: 0.7623856868851857
Energy: 0.7406470274347358
Energy: 0.7623856868851857
Energy: 0.7453313831104608
Energy: 0.7893561829509472
Energy: 0.7453313831112163
Energy: 0.7893561829509472
Energy: 0.7453313831104608
Energy: 0.7893561829509472
Energy: 0.7390481324580255
Energy: 0.7678790806960752
Energy: 0.7390481324580255
Energy: 0.7678790806953195
Energy: 0.7390481324580255
Energy: 0.7678790806960752
Energy: 0.740230533388413
Energy: 0.7086694152396223
Energy: 0.740230533388413
Energy: 0.7086694152396223
Energy: 0.740230533388413
Energy: 0.7086694152396223
Energy: 0.7464748048768327
Energy: 0.8654856129329936
Energy: 0.7464748048768327
Energy: 0.8654856129322381
Energy: 0.7464748048768327
Energy: 0.8654856129329936
Energy: 0.7300488532838909
Energy: 0.7287778320277009
Energy: 0.7300488532846465
Energy: 0.7287778320269452
Energy: 0.7300488532846465
Energy: 0.7287778320269452
Energy: 0.7185654184349198
Energy: 0.7237032789281791
Energy: 0.7185654184356753
Energy: 0.7237032789281791
Energy: 0.7185654184349198
Energy: 0.7237032789289347
Energy: 0.7122249924038587
Energy: 0.8694248156539364
Energy: 0.7122249924038587
Energy: 0.8694248156539364
Energy: 0.7122249924038587
Energy: 0.8694248156539364
Energy: 0.7623824409476555
Energy: 0.674791146046259
Energy: 0.7623824409484111
Energy: 0.6747911460470147
Energy: 0.7623824409484111
Energy: 0.6747911460470147
Energy: 0.8551852158361128
Energy: 0.7661877183103026
Energy: 0.8551852158368684
Energy: 0.7661877183103026
Energy: 0.8551852158361128
Energy: 0.7661877183103026
Energy: 0.7937087528756288
Energy: 0.76723040009242
Energy: 0.7937087528756288
Energy: 0.76723040009242
Energy: 0.7937087528756288
Energy: 0.7672304000931757
Energy: 0.7463607795607673
Energy: 0.6907072088819678
Energy: 0.7463607795607673
Energy: 0.690707208882689
Energy: 0.7463607795607673
Energy: 0.690707208882689
Energy: 0.7653353645994069
Energy: 0.7992232343418024
Energy: 0.7653353646001626
Energy: 0.7992232343410469
Energy: 0.7653353645994069
Energy: 0.7992232343418024
Energy: 0.638438264420806
Energy: 0.7762460181110208
Energy: 0.638438264420806
Energy: 0.7762460181110208
Energy: 0.638438264420806
Energy: 0.7762460181110208

minimum gb energy = 0.638438264420806 eV
minimum distance =  2.34080476827223 Angstroms
sigma value = 33


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

Energy: 0.9368039869337926
Energy: 0.7535516328843244
Energy: 0.9368039869337926
Energy: 0.7535516328848036
Energy: 0.9368039869333132
Energy: 0.7535516328848036
Energy: 0.7778916485159197
Energy: 0.8458528831341222
Energy: 0.777891648516399
Energy: 0.8458528831341222
Energy: 0.7778916485159197
Energy: 0.8458528831341222
Energy: 0.8471049398439334
Energy: 0.8348894491992364
Energy: 0.8471049398429746
Energy: 0.8348894491987571
Energy: 0.8471049398434539
Energy: 0.8348894491987571
Energy: 0.8429371566333538
Energy: 0.7598552544211641
Energy: 0.8429371566328745
Energy: 0.7598552544216433
Energy: 0.8429371566328745
Energy: 0.7598552544211641
Energy: 0.8693726449763051
Energy: 0.8662998369513025
Energy: 0.8693726449767843
Energy: 0.8662998369513025
Energy: 0.8693726449767843
Energy: 0.8662998369513025
Energy: 0.9346757133716654
Energy: 0.8408419749968274
Energy: 0.9346757133721448
Energy: 0.8408419749968274
Energy: 0.9346757133716654
Energy: 0.8565558032199556
Energy: 0.7800209265674692
Energy: 0.866608673685952
Energy: 0.7800209265669898
Energy: 0.8666086736854727
Energy: 0.7800209265665105
Energy: 0.8666086736854727
Energy: 0.8347531469581073
Energy: 0.8352253643855523
Energy: 0.834753146957628
Energy: 0.8352253643855523
Energy: 0.834753146957628
Energy: 0.8352253643855523
Energy: 0.8307417747688924
Energy: 0.8478701970873984
Energy: 0.8307417747684132
Energy: 0.8478701970873984
Energy: 0.8307417747684132
Energy: 0.8478701970873984
Energy: 0.8928470409218607
Energy: 0.7947179950164404
Energy: 0.8928470409218607
Energy: 0.8253359051898763
Energy: 0.8928470409218607
Energy: 0.8074085114365425
Energy: 0.8218040593712536
Energy: 0.9060348506571022
Energy: 0.8218040593707743
Energy: 0.9060348506571022
Energy: 0.8218040593712536
Energy: 0.9060348506571022
Energy: 0.7776456076060929
Energy: 0.7871365109142727
Energy: 0.7776456076056136
Energy: 0.7871365109142727
Energy: 0.7776456076060929
Energy: 0.7871365109142727
Energy: 0.9345120356762606
Energy: 0.7912298319114701
Energy: 0.93451203567674
Energy: 0.7912298319114701
Energy: 0.9345120356762606
Energy: 0.7912298319114701
Energy: 0.8028539151461532
Energy: 0.8319625992681056
Energy: 0.8028539151466325
Energy: 0.8319625992709817
Energy: 0.8028539151466325
Energy: 0.8319625992700228
Energy: 0.8191464565546654
Energy: 0.8071791268493885
Energy: 0.8191464565551447
Energy: 0.8071791268493885
Energy: 0.8191464565546654
Energy: 0.8071791268493885
Energy: 0.8427810070405137
Energy: 0.8569720029540437
Energy: 0.8427810070395552
Energy: 0.8569720029540437
Energy: 0.8427810070405137
Energy: 0.8569720029540437
Energy: 0.8558525106062191
Energy: 0.8369924034111536
Energy: 0.8558525106062191
Energy: 0.836992403411633
Energy: 0.8558525106066984
Energy: 0.836992403411633
Energy: 0.8771389890268906
Energy: 0.8903070853825586
Energy: 0.8771389890264112
Energy: 0.8903070853825586
Energy: 0.8771389890268906
Energy: 0.8903070853825586
Energy: 0.7801198640388977
Energy: 0.8910935932349404
Energy: 0.7801198640388977
Energy: 0.8910935932349404
Energy: 0.7801198640384182
Energy: 0.8910935932349404
Energy: 0.8794317329983002
Energy: 0.8668761276333816
Energy: 0.8794317329978208
Energy: 0.8668761276338609
Energy: 0.8794317329987795
Energy: 0.8668761276338609
Energy: 0.8753257631757345
Energy: 0.844166695491546
Energy: 0.8753257631757345
Energy: 0.844166695491546
Energy: 0.8753257631757345
Energy: 0.844166695491546
Energy: 0.8196204298279138
Energy: 0.7641849402330236
Energy: 0.8196204298293519
Energy: 0.7641849402330236
Energy: 0.8196204298293519
Energy: 0.7641849402330236
Energy: 0.7827314427944142
Energy: 0.9060661983642944
Energy: 0.7827314427948935
Energy: 0.9060661983642944
Energy: 0.7827314427944142
Energy: 0.9060661983647736
Energy: 0.8824900475820293
Energy: 0.8063502100170566
Energy: 0.88249004758155
Energy: 0.8063502100165774
Energy: 0.88249004758155
Energy: 0.8063502100165774
Energy: 0.7775343006268749
Energy: 0.7851233340252937
Energy: 0.7775343006263955
Energy: 0.7851233340252937
Energy: 0.7775343006268749
Energy: 0.7851233340252937
Energy: 0.782886253061851
Energy: 0.9090446378675647
Energy: 0.782886253061851
Energy: 0.9090446378675647
Energy: 0.782886253061851
Energy: 0.9090446378675647
Energy: 0.779606883624811
Energy: 0.7617211090660341
Energy: 0.7796068836252904
Energy: 0.7617211090660341
Energy: 0.779606883624811
Energy: 0.7617211090660341
Energy: 0.8872222965972392
Energy: 0.9112790832155494
Energy: 0.8872222965972392
Energy: 0.9112790832165082
Energy: 0.8872222965972392
Energy: 0.9112790832160288
Energy: 0.8811620454990351
Energy: 0.9893564347641394
Energy: 0.8811620454990351
Energy: 0.9893564347641394
Energy: 0.8811620454990351
Energy: 0.9893564347641394
Energy: 0.780616116605776
Energy: 0.8103255186093645
Energy: 0.780616116605776
Energy: 0.8103255186093645
Energy: 0.780616116605776
Energy: 0.8103255186093645
Energy: 0.9179934476333538
Energy: 0.9093427769416591
Energy: 0.9179934476328744
Energy: 0.9093427769416591
Energy: 0.9179934476328744
Energy: 0.9093427769416591
Energy: 0.8681146162755553
Energy: 0.8677302143059207
Energy: 0.8681146162755553
Energy: 0.8677302143064001
Energy: 0.8681146162750759
Energy: 0.8677302143064001
Energy: 0.8405700045057287
Energy: 0.8431894753984829
Energy: 0.8405700045052493
Energy: 0.8431894753980035
Energy: 0.840570004506208
Energy: 0.8431894753980035
Energy: 0.8199510949989193
Energy: 0.8457571661687878
Energy: 0.8199510949989193
Energy: 0.8457571661687878
Energy: 0.8199510949989193
Energy: 0.8457571661687878
Energy: 0.8049938261745943
Energy: 0.8336240324198998
Energy: 0.8049938261745943
Energy: 0.8336240324198998
Energy: 0.8049938261741149
Energy: 0.8336240324198998
Energy: 0.9380999061518658
Energy: 0.7905900943843719
Energy: 0.9380999061518658
Energy: 0.7905900943843719
Energy: 0.9380999061523451
Energy: 0.7905900943848513
Energy: 0.780132575415318
Energy: 0.8269777968695312
Energy: 0.7801325754148386
Energy: 0.8269777968690518
Energy: 0.7801325754148386
Energy: 0.8269777968695312

minimum gb energy = 0.7535516328843244 eV
minimum distance =  2.35093087382168 Angstroms
sigma value = 41


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

Energy: 0.9812492458438702
Energy: 0.8615213110452156
Energy: 0.9812492458438702
Energy: 0.8615213110452156
Energy: 0.9812492458438702
Energy: 0.8615213110452156
Energy: 0.8640256104760293
Energy: 0.9398242311890525
Energy: 0.8640256104760293
Energy: 0.9398242311890525
Energy: 0.8640256104760293
Energy: 0.9398242311890525
Energy: 1.0417176089216738
Energy: 0.9591280209289839
Energy: 1.1626080927713076
Energy: 0.9591280209289839
Energy: 1.0288146339758515
Energy: 0.9591280209289839
Energy: 0.9709565436126033
Energy: 0.948850488233594
Energy: 0.9709565436126033
Energy: 0.948850488233594
Energy: 0.9709565436112947
Energy: 0.948850488233594
Energy: 0.9413847500813344
Energy: 0.9485570230462835
Energy: 0.9413847500800258
Energy: 0.9485570230475923
Energy: 0.9413847500813344
Energy: 0.9485570230475923
Energy: 1.0780610786574945
Energy: 0.9887162409855318
Energy: 1.0780610786574945
Energy: 0.9887162409855318
Energy: 1.0780610786574945
Energy: 0.9887162409855318
Energy: 0.968739205759856
Energy: 0.87793769214808
Energy: 0.968739205759856
Energy: 0.8779376921467712
Energy: 0.968739205759856
Energy: 0.8779376921467712
Energy: 0.9322222530201419
Energy: 0.9596140140912882
Energy: 0.9322222530201419
Energy: 0.959614014092597
Energy: 0.9322222530214506
Energy: 0.959614014092597
Energy: 0.8659085455395795
Energy: 0.8881358796800436
Energy: 0.8659085455395795
Energy: 0.8881358796800436
Energy: 0.8659085455395795
Energy: 0.8881358796800436
Energy: 1.025984614776786
Energy: 0.8870984036192814
Energy: 1.025984614776786
Energy: 0.8870984036192814
Energy: 1.025984614776786
Energy: 0.8870984036192814
Energy: 0.9357964558655123
Energy: 0.959472494645753
Energy: 0.9357964558655123
Energy: 0.9594724946444443
Energy: 0.9357964558655123
Energy: 0.959472494645753
Energy: 0.9553986989282364
Energy: 0.9288257702838976
Energy: 0.9553986989282364
Energy: 0.928825770282589
Energy: 0.9553986989282364
Energy: 0.9288257702838976
Energy: 0.9340167283877074
Energy: 0.9501920699792358
Energy: 0.9340167283863987
Energy: 0.9501920699792358
Energy: 0.9340167283863987
Energy: 0.9501920699792358
Energy: 0.9385220739400154
Energy: 0.9396750290983583
Energy: 0.9385220739400154
Energy: 0.9396750290983583
Energy: 0.9385220739400154
Energy: 0.9396750290983583

minimum gb energy = 0.8615213110452156 eV
minimum distance =  2.31704757156736 Angstroms
sigma value = 11


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

Energy: 1.1338072328482842
Energy: 1.044701138502876
Energy: 1.1338072328482842
Energy: 1.044701138502876
Energy: 1.1338072328482842
Energy: 1.044701138502876
Energy: 1.0688262718394548
Energy: 1.063144962681444
Energy: 1.0688262718394548
Energy: 1.063144962681444
Energy: 1.0688262718388801
Energy: 1.063144962681444
Energy: 1.0810770282449382
Energy: 1.07123175789497
Energy: 1.0810770282449382
Energy: 1.0712317578955448
Energy: 1.0810770282449382
Energy: 1.07123175789497
Energy: 1.058481442372035
Energy: 0.9379003334137261
Energy: 1.05848144237146
Energy: 0.937900333414301
Energy: 1.058481442372035
Energy: 0.9379003334137261
Energy: 1.051502436718073
Energy: 1.0091164183777184
Energy: 1.051502436718073
Energy: 1.0091164183771435
Energy: 1.051502436718073
Energy: 1.0091164183771435
Energy: 0.9863334172370449
Energy: 1.0247033931677125
Energy: 0.9863334172370449
Energy: 1.0247033931671374
Energy: 0.9863334172370449
Energy: 1.0247033931677125
Energy: 1.1087392574815547
Energy: 1.0084163915334272
Energy: 1.1087392574815547
Energy: 1.0084163915334272
Energy: 1.1087392574815547
Energy: 1.0084163915334272
Energy: 1.053378555234849
Energy: 1.046031180778282
Energy: 1.0533785552342736
Energy: 1.046031180778282
Energy: 1.053378555234849
Energy: 1.046031180778282
Energy: 1.01814119923092
Energy: 1.0519579631867566
Energy: 1.01814119923092
Energy: 1.0519579631867566
Energy: 1.01814119923092
Energy: 1.0519579631867566
Energy: 1.008672648071794
Energy: 1.0036577311526278
Energy: 1.008672648071794
Energy: 1.0036577311526278
Energy: 1.008672648071794
Energy: 1.0036577311526278
Energy: 0.981349230888666
Energy: 1.0898098330962147
Energy: 0.981349230888666
Energy: 1.0898098330956396
Energy: 0.981349230888666
Energy: 1.0898098330962147
Energy: 1.048090523753242
Energy: 1.0422383716524206
Energy: 1.0480905237526672
Energy: 1.0422383716524206
Energy: 1.048090523753242
Energy: 1.0422383716524206
Energy: 1.1066972826934445
Energy: 1.0148787171107878
Energy: 1.1066972826945942
Energy: 1.0148787171107878
Energy: 1.1066972826922945
Energy: 1.0148787171107878
Energy: 1.0149577423832277
Energy: 1.078695842323724
Energy: 1.0149577423826528
Energy: 1.078695842323724
Energy: 1.0149577423832277
Energy: 1.0786958423231494
Energy: 0.9426058950334362
Energy: 1.0088751994187264
Energy: 0.9426058950334362
Energy: 1.0088751994187264
Energy: 0.9899213556162899
Energy: 1.0088751994187264
Energy: 1.0429263653511471
Energy: 1.0389430877215202
Energy: 1.0429263653511471
Energy: 1.0389430877215202
Energy: 1.0429263653511471
Energy: 1.0389430877215202
Energy: 0.9443189992266501
Energy: 1.175954445349127
Energy: 0.9443189992260752
Energy: 1.175954445349127
Energy: 0.9443189992266501
Energy: 1.175954445349127
Energy: 1.11246171729368
Energy: 1.1013435711646176
Energy: 1.11246171729368
Energy: 1.1013435711651927
Energy: 1.11246171729368
Energy: 1.1013435711651927
Energy: 1.0714133556315684
Energy: 0.9432458304348602
Energy: 1.0714133556321432
Energy: 0.9432458304354351
Energy: 1.0714133556321432
Energy: 0.9432458304348602
Energy: 1.0434154087065084
Energy: 1.02831411992644
Energy: 1.0434154087065084
Energy: 1.0283141199258652
Energy: 1.0434154087065084
Energy: 1.02831411992644
Energy: 0.995173403395153
Energy: 0.9698046716677775
Energy: 0.995173403395153
Energy: 0.9698046716677775
Energy: 0.995173403395153
Energy: 0.9698046716677775
Energy: 1.0900203845875873
Energy: 1.070049793555355
Energy: 1.0900203845875873
Energy: 1.070049793555355
Energy: 1.0900203845875873
Energy: 1.070049793555355
Energy: 1.0377046820813556
Energy: 1.0331482754303447
Energy: 1.0377046820813556
Energy: 1.0331482754303447
Energy: 1.0377046820813556
Energy: 1.033148275429195
Energy: 1.0634279526992645
Energy: 1.046236162073328
Energy: 1.0634279526992645
Energy: 1.046236162073328
Energy: 1.0634279526986896
Energy: 1.046236162073903
Energy: 0.997089619335557
Energy: 0.9912583042173483
Energy: 0.997089619335557
Energy: 0.9912583042173483
Energy: 0.997089619335557
Energy: 0.9912583042173483
Energy: 0.9590238747245283
Energy: 1.0839208515945744
Energy: 0.9590238747245283
Energy: 1.0839208515945744
Energy: 0.9590238747245283
Energy: 1.0839208515945744
Energy: 1.040149723142197
Energy: 1.0729683793247757
Energy: 1.040149723142197
Energy: 1.072968379324201
Energy: 1.040149723142197
Energy: 1.072968379324201
Energy: 1.07893510123095
Energy: 1.0396128337751176
Energy: 1.07893510123095
Energy: 1.0396128337751176
Energy: 1.07893510123095
Energy: 1.0396128337751176
Energy: 1.0023710240699912
Energy: 1.0933321237959532
Energy: 1.0023710240699912
Energy: 1.0933321237959532
Energy: 1.0023710240699912
Energy: 1.0933321237953786
Energy: 0.9828079014706258
Energy: 0.9281015037806509
Energy: 0.9828079014706258
Energy: 0.9281015037806509
Energy: 0.9828079014706258
Energy: 0.9281015037806509
Energy: 1.0577169478985755
Energy: 1.0776106482837255
Energy: 1.0577169478985755
Energy: 1.0776106482837255
Energy: 1.0577169478985755
Energy: 1.0776106482837255

minimum gb energy = 0.9281015037806509 eV
minimum distance =  2.33485884457532 Angstroms
sigma value = 57


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

Energy: 1.0255873069341197
Energy: 0.9137300303564218
Energy: 1.0255873069341197
Energy: 0.9137300303564218
Energy: 1.0255873069341197
Energy: 0.9137300303564218
Energy: 1.0239087298282965
Energy: 1.028455336708207
Energy: 1.0239087298293197
Energy: 1.028455336707184
Energy: 1.0239087298282965
Energy: 1.028455336707184
Energy: 1.0866051741838505
Energy: 0.9539800029725101
Energy: 1.0866051741838505
Energy: 0.9539800029725101
Energy: 1.0866051741838505
Energy: 0.9539800029725101
Energy: 1.062565344420339
Energy: 1.0773697387282126
Energy: 1.062565344420339
Energy: 1.2306849922264353
Energy: 1.062565344420339
Energy: 0.9816565308995573
Energy: 1.0866102743903323
Energy: 0.9539992941310287
Energy: 1.0866102743903323
Energy: 0.9539992941310287
Energy: 1.0866102743903323
Energy: 0.9539992941310287
Energy: 1.0238760741106734
Energy: 0.9881856109377675
Energy: 1.0238760741106734
Energy: 1.0023020525208857
Energy: 1.0238760741106734
Energy: 0.919295287194201
Energy: 1.0255873069341197
Energy: 0.9137300303564218
Energy: 1.0255873069341197
Energy: 0.9137300303574448
Energy: 1.0255873069341197
Energy: 0.9137300303574448
Energy: 1.0239087298282965
Energy: 1.028455336707184
Energy: 1.0239087298293197
Energy: 1.028455336707184
Energy: 1.0239087298282965
Energy: 1.028455336708207
Energy: 1.0866051741838505
Energy: 0.9539800029725101
Energy: 1.0866051741848735
Energy: 0.9539800029725101
Energy: 1.0866051741838505
Energy: 0.9539800029725101
Energy: 1.062565344420339
Energy: 1.0127702546252308
Energy: 1.062565344420339
Energy: 1.1714915193689956
Energy: 1.062565344420339
Energy: 1.3425143853840524
Energy: 1.0866102743913555
Energy: 0.9539992941310287
Energy: 1.0866102743913555
Energy: 0.9539992941310287
Energy: 1.0866102743913555
Energy: 0.9539992941310287
Energy: 1.0238760741127193
Energy: 0.919295287193178
Energy: 1.0238760741127193
Energy: 0.919295287193178
Energy: 1.0238760741127193
Energy: 0.919295287193178
Energy: 1.0255873069341197
Energy: 0.9137300303574448
Energy: 1.0255873069341197
Energy: 0.9137300303564218
Energy: 1.0255873069341197
Energy: 0.9137300303564218
Energy: 1.0239087298293197
Energy: 1.028455336708207
Energy: 1.0239087298282965
Energy: 1.028455336707184
Energy: 1.0239087298282965
Energy: 1.028455336707184
Energy: 1.0866051741838505
Energy: 0.9539800029725101
Energy: 1.0866051741838505
Energy: 0.9539800029735331
Energy: 1.0866051741838505
Energy: 0.9539800029725101
Energy: 1.062565344420339
Energy: 1.0127702546242077
Energy: 1.062565344420339
Energy: 1.1714915193679727
Energy: 1.062565344420339
Energy: 1.3425143853830293
Energy: 1.0866102743903323
Energy: 0.9539992941310287
Energy: 1.0866102743903323
Energy: 0.9539992941310287
Energy: 1.0866102743903323
Energy: 0.9539992941310287

minimum gb energy = 0.9137300303564218 eV
minimum distance =  2.34381654875334 Angstroms
sigma value = 9


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

Energy: 1.0429641779545995
Energy: 1.0798119076922146
Energy: 1.0429641779545995
Energy: 1.0798119076930501
Energy: 1.0429641779545995
Energy: 1.0798119076922146
Energy: 1.0607157728270857
Energy: 1.053545162503881
Energy: 1.0607157728270857
Energy: 1.053545162503881
Energy: 1.0607157728270857
Energy: 1.0535451625030452
Energy: 1.0224411580767745
Energy: 1.049492304761973
Energy: 1.0989973751730242
Energy: 1.049492304761973
Energy: 1.1238813477641054
Energy: 1.049492304761973
Energy: 1.0499051882949435
Energy: 1.1010229733391899
Energy: 1.049905188295779
Energy: 1.1010229733383543
Energy: 1.049905188295779
Energy: 1.1010229733383543
Energy: 1.078745042503065
Energy: 1.0690508530391392
Energy: 1.078745042503065
Energy: 1.0690508530391392
Energy: 1.0787450425022294
Energy: 1.0690508530391392
Energy: 1.0228166593713826
Energy: 1.0025077192295875
Energy: 1.0228166593713826
Energy: 1.0025077192287517
Energy: 1.0228166593713826
Energy: 1.0025077192287517
Energy: 0.9897389039360027
Energy: 1.0412713348443803
Energy: 0.9897389039360027
Energy: 1.0412713348427094
Energy: 0.9897389039360027
Energy: 1.0412713348443803
Energy: 1.0226640263451026
Energy: 1.0399424212107542
Energy: 1.0226640263451026
Energy: 1.0399424212107542
Energy: 1.0226640263451026
Energy: 1.0399424212107542
Energy: 1.1970154979752885
Energy: 1.0679701599038411
Energy: 1.1970154979752885
Energy: 1.0679701599038411
Energy: 1.197015497976124
Energy: 1.0679701599038411
Energy: 1.0263809556251908
Energy: 1.0270090654428692
Energy: 1.0263809556243555
Energy: 1.0270090654428692
Energy: 1.0263809556251908
Energy: 1.0270090654428692
Energy: 1.023075592574816
Energy: 1.0664637339417298
Energy: 1.023075592574816
Energy: 1.0664637339408944
Energy: 1.023075592574816
Energy: 1.0664637339417298
Energy: 1.077240038450498
Energy: 1.0369362167563303
Energy: 1.077240038450498
Energy: 1.0369362167563303
Energy: 1.077240038450498
Energy: 1.0369362167563303
Energy: 1.0137554174418875
Energy: 1.2055288940805087
Energy: 1.0137554174410524
Energy: 1.2055288940805087
Energy: 1.0137554174418875
Energy: 1.2055288940805087
Energy: 1.0167113723170256
Energy: 1.0840780561712167
Energy: 1.0167113723161902
Energy: 1.0840780561712167
Energy: 1.0167113723161902
Energy: 1.0840780561712167
Energy: 1.0849578384174496
Energy: 1.0646766237379255
Energy: 1.0849578384174496
Energy: 1.0646766237379255
Energy: 1.0849578384174496
Energy: 1.0646766237370902
Energy: 1.0283206272341499
Energy: 1.0537982704967832
Energy: 1.0283206272333145
Energy: 1.0537982704967832
Energy: 1.0283206272333145
Energy: 1.0537982704967832
Energy: 1.0840596164512424
Energy: 1.0758762263291808
Energy: 1.0840596164512424
Energy: 1.0758762263291808
Energy: 1.0840596164512424
Energy: 1.075876226330016
Energy: 1.1511180202636797
Energy: 1.0628528848605308
Energy: 1.1511180202636797
Energy: 1.0628528848605308
Energy: 1.1511180202628446
Energy: 1.0628528848605308
Energy: 0.9904518290316968
Energy: 1.0837604037837236
Energy: 0.9904518290316968
Energy: 1.0837604037828883
Energy: 0.9904518290316968
Energy: 1.0837604037828883
Energy: 1.1332384230467607
Energy: 1.1010039196223569
Energy: 1.133238423047596
Energy: 1.1010039196231922
Energy: 1.133238423047596
Energy: 1.1010039196223569
Energy: 1.0740002643101159
Energy: 1.0356479555560376
Energy: 1.0740002643109514
Energy: 1.0356479555560376
Energy: 1.0740002643101159
Energy: 1.0356479555560376

minimum gb energy = 0.9897389039360027 eV
minimum distance =  2.33822792023185 Angstroms
sigma value = 27


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

Energy: 1.059386648764072
Energy: 1.2122208598858366
Energy: 1.0249800986263855
Energy: 1.2122208598858366
Energy: 1.059386648764776
Energy: 1.2122208598851325
Energy: 1.0573477633328277
Energy: 1.043734697932096
Energy: 1.0573477633321233
Energy: 1.043734697932096
Energy: 1.0573477633321233
Energy: 1.0437346979335045
Energy: 1.031110174863544
Energy: 0.9946227405519681
Energy: 1.031110174863544
Energy: 0.9946227405526722
Energy: 1.0311101748642482
Energy: 0.9946227405533764
Energy: 0.9454451588875045
Energy: 1.0616938833957184
Energy: 0.9454451588882087
Energy: 1.0616938833957184
Energy: 0.9454451588875045
Energy: 1.0616938833964227
Energy: 1.0120254231726755
Energy: 1.085728384346907
Energy: 1.0120254231726755
Energy: 1.085728384346907
Energy: 1.0120254231726755
Energy: 1.085728384346907
Energy: 1.10153556624689
Energy: 1.0416970482917363
Energy: 1.10153556624689
Energy: 1.0416970482924406
Energy: 1.1015355662461859
Energy: 1.0416970482924406
Energy: 0.9834215834952968
Energy: 1.058902707282879
Energy: 0.9834215834945927
Energy: 1.058902707282879
Energy: 0.9834215834945927
Energy: 1.058902707282879
Energy: 1.1051211763208095
Energy: 1.0313736802314337
Energy: 1.105121176322218
Energy: 1.0313736802314337
Energy: 1.1051211763208095
Energy: 1.0313736802321378
Energy: 1.0983850024673605
Energy: 0.9493605159315573
Energy: 1.0982317782003013
Energy: 0.9493605159315573
Energy: 1.0983850024666564
Energy: 0.9493605159315573
Energy: 1.0472789099432864
Energy: 1.0616409309953023
Energy: 1.0471971581739605
Energy: 1.0616409309953023
Energy: 1.0472789099432864
Energy: 1.0616409309945982
Energy: 1.0469447041519304
Energy: 1.1253309629807082
Energy: 1.0471127659706638
Energy: 1.1253309629800041
Energy: 1.0469447041519304
Energy: 1.1253309629793
Energy: 1.0710418003110047
Energy: 0.9843403142023184
Energy: 1.0710418003103008
Energy: 0.9843403142016142
Energy: 1.0710418003110047
Energy: 0.9843403142023184
Energy: 0.9962181399652572
Energy: 1.0637073191487305
Energy: 0.9962181399659615
Energy: 1.0637073191487305
Energy: 0.9962181399652572
Energy: 1.0637073191494348
Energy: 0.945777851694965
Energy: 1.0165957903154115
Energy: 0.945777851694965
Energy: 1.0165957903154115
Energy: 0.945777851694965
Energy: 1.0165957903154115
Energy: 1.1613153329192787
Energy: 1.0393348009106793
Energy: 1.1576816197689679
Energy: 1.0393348009113834
Energy: 1.1613153329192787
Energy: 1.0393348009113834
Energy: 1.0459710666351458
Energy: 1.0643211687528837
Energy: 1.0459710666351458
Energy: 1.0643211687535876
Energy: 1.04597106663585
Energy: 1.0643211687528837
Energy: 0.9852045633180938
Energy: 1.0304482231065042
Energy: 0.9852045633173899
Energy: 1.030448223107208
Energy: 0.9852045633180938
Energy: 1.0304482231065042
Energy: 1.061751954183267
Energy: 0.9767234925201667
Energy: 1.061751954183267
Energy: 0.9767234925201667
Energy: 1.0617519541825629
Energy: 0.9767234925208709
Energy: 1.0643369214470957
Energy: 1.0039042680193155
Energy: 1.0021355892565305
Energy: 1.0039042680193155
Energy: 1.0643369214470957
Energy: 1.0039042680193155
Energy: 1.059386648764072
Energy: 1.2122208598851325
Energy: 1.0249800986270896
Energy: 1.2122208598851325
Energy: 1.059386648764072
Energy: 1.2122208598851325
Energy: 1.0573477633321233
Energy: 1.043734697932096
Energy: 1.0573477633321233
Energy: 1.043734697932096
Energy: 1.0573477633328277
Energy: 1.0437346979328002
Energy: 1.0311101748628397
Energy: 0.9946227405526722
Energy: 1.0311101748628397
Energy: 0.9946227405533764
Energy: 1.0311101748628397
Energy: 0.9946227405540805
Energy: 0.9454451588882087
Energy: 1.0616938833957184
Energy: 0.9454451588875045
Energy: 1.0616938833957184
Energy: 0.9454451588875045
Energy: 1.0616938833957184
Energy: 1.0120254231733798
Energy: 1.085728384346203
Energy: 1.0120254231733798
Energy: 1.085728384346203
Energy: 1.012025423174084
Energy: 1.085728384346203
Energy: 1.1015355662475939
Energy: 1.0416970482924406
Energy: 1.10153556624689
Energy: 1.0416970482924406
Energy: 1.10153556624689
Energy: 1.0416970482931447

minimum gb energy = 0.9454451588875045 eV
minimum distance =  2.34089631742528 Angstroms
sigma value = 19


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

Energy: 0.9522838669507097
Energy: 1.1083458542896114
Energy: 0.9522838669507097
Energy: 1.1083458542896114
Energy: 0.9522838669507097
Energy: 1.1083458542896114
Energy: 1.0306130435457894
Energy: 0.9688416590567763
Energy: 1.0306130435451817
Energy: 0.9688416590567763
Energy: 1.0306130435457894
Energy: 0.9688416590567763
Energy: 1.1505580050794437
Energy: 0.9271016480053679
Energy: 1.1766628739547715
Energy: 0.9271016480053679
Energy: 1.1183140366107014
Energy: 0.9271016480053679
Energy: 0.9185988762596465
Energy: 1.011944692140156
Energy: 0.9185988762596465
Energy: 1.011944692140156
Energy: 0.9185988762596465
Energy: 1.011944692140156
Energy: 0.978293304459517
Energy: 1.030205255693332
Energy: 0.978293304459517
Energy: 1.030205255693332
Energy: 0.978293304459517
Energy: 1.030205255693332
Energy: 1.032076135427737
Energy: 0.9242725768416501
Energy: 1.032076135427737
Energy: 0.9242725768416501
Energy: 1.032076135427737
Energy: 0.9242725768416501
Energy: 0.9231927673609033
Energy: 1.109762325314386
Energy: 0.9231927673609033
Energy: 1.1097623253149937
Energy: 0.9231927673609033
Energy: 1.1097623253156017
Energy: 0.9440938829992608
Energy: 1.1373912671430628
Energy: 0.9440938829992608
Energy: 1.1373912671430628
Energy: 0.9440938829992608
Energy: 1.1373912671436708
Energy: 1.0226154099187317
Energy: 0.905074968950494
Energy: 1.0226154099187317
Energy: 0.905074968950494
Energy: 1.022615409918124
Energy: 0.905074968950494
Energy: 1.0030745953188887
Energy: 1.0133513478673708
Energy: 1.0030745953194962
Energy: 1.0133513478673708
Energy: 1.0030745953194962
Energy: 1.0133513478673708
Energy: 0.9122949477364791
Energy: 1.144312516630125
Energy: 0.9122949477383024
Energy: 1.144312516630125
Energy: 0.9122949477376947
Energy: 1.144312516630125
Energy: 1.0476727065887201
Energy: 0.923271682858023
Energy: 1.0476727065887201
Energy: 0.923271682858023
Energy: 1.0476727065887201
Energy: 0.923271682858023
Energy: 1.0015177267223718
Energy: 0.9750013442158719
Energy: 1.0015177267229798
Energy: 0.9750013442158719
Energy: 1.0015177267223718
Energy: 0.9750013442158719
Energy: 0.9227088654254709
Energy: 1.0105917743441737
Energy: 0.9227088654254709
Energy: 1.0105917743441737
Energy: 0.9227088654260787
Energy: 1.0105917743441737
Energy: 1.0834863872730247
Energy: 0.9538538266958068
Energy: 1.0834863872730247
Energy: 0.9538538266958068
Energy: 1.0834863872730247
Energy: 0.9538538266958068
Energy: 1.1314914431949543
Energy: 0.9051595130029275
Energy: 1.1314914431949543
Energy: 0.9051595130023198
Energy: 1.1314914431949543
Energy: 0.9051595130023198
Energy: 0.9294020558626427
Energy: 1.0141535651909155
Energy: 0.9294020558626427
Energy: 1.0141535651909155
Energy: 0.9294020558626427
Energy: 1.0141535651909155
Energy: 1.0146013546333301
Energy: 1.1149078003097395
Energy: 1.0146013546333301
Energy: 1.1149078003103474
Energy: 1.0146013546333301
Energy: 1.1149078003097395
Energy: 1.0649126113637344
Energy: 0.9228356804710094
Energy: 1.0649126113637344
Energy: 0.9228356804710094
Energy: 1.0649126113637344
Energy: 0.9228356804710094
Energy: 0.9313241721737976
Energy: 1.02910195300653
Energy: 0.9313241721737976
Energy: 1.02910195300653
Energy: 0.9313241721737976
Energy: 1.02910195300653
Energy: 0.9016739945490401
Energy: 1.1558959203133874
Energy: 0.9016739945490401
Energy: 1.1558959203133874
Energy: 0.9016739945490401
Energy: 1.1558959203139954
Energy: 1.0423417162189534
Energy: 0.927007924686804
Energy: 1.0423417162189534
Energy: 0.927007924686804
Energy: 1.0423417162183457
Energy: 0.927007924686804
Energy: 1.0444421467418536
Energy: 1.0783959505426055
Energy: 1.0444421467418536
Energy: 1.0783959505426055
Energy: 1.0444421467418536
Energy: 1.0783959505426055
Energy: 0.9444527034557981
Energy: 1.125379782753023
Energy: 0.9444527034551902
Energy: 1.125379782753023
Energy: 0.9444527034557981
Energy: 1.125379782753023
Energy: 0.9661077846459326
Energy: 0.927085349021791
Energy: 0.9661077846453249
Energy: 0.927085349021791
Energy: 0.9661077846453249
Energy: 0.927085349021183
Energy: 1.0693912747522873
Energy: 0.919432059164648
Energy: 1.0693912747522873
Energy: 0.919432059164648
Energy: 1.0693912747522873
Energy: 0.9194320591640401
Energy: 0.907870317802351
Energy: 0.9796671939215466
Energy: 0.907870317802351
Energy: 0.9796671939215466
Energy: 0.907870317802351
Energy: 0.9796671939215466
Energy: 1.0402094615389257
Energy: 0.9223453075308559
Energy: 1.0402094615395334
Energy: 0.9223453075308559
Energy: 1.0402094615395334
Energy: 0.9223453075308559
Energy: 1.006337339354446
Energy: 0.9224064240560382
Energy: 1.006337339354446
Energy: 0.9224064240560382
Energy: 1.006337339354446
Energy: 0.9224064240560382

minimum gb energy = 0.9016739945490401 eV
minimum distance =  2.33357402010254 Angstroms
sigma value = 101


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

Energy: 0.8940967825197779
Energy: 1.0335009832919029
Energy: 0.8940967825192435
Energy: 1.0335009832919029
Energy: 0.8940967825192435
Energy: 1.0335009832913686
Energy: 0.9603677692437383
Energy: 0.9246013984453335
Energy: 0.9603677692565612
Energy: 0.9324771138144304
Energy: 0.9603677692421355
Energy: 0.878681984471754
Energy: 1.0146185921537674
Energy: 0.8812680904741549
Energy: 1.0146185921537674
Energy: 0.8812680904741549
Energy: 1.0146185921537674
Energy: 0.8812680904741549
Energy: 0.8568259777345772
Energy: 1.228101055421384
Energy: 0.8568259777345772
Energy: 1.276109507689563
Energy: 0.8568259777345772
Energy: 1.127615018532287
Energy: 0.9314092976019381
Energy: 0.9798184469412774
Energy: 0.9314092976008698
Energy: 0.9798184469412774
Energy: 0.9314092976008698
Energy: 0.9798184469412774
Energy: 0.9892073541948099
Energy: 0.8683121540648945
Energy: 0.9892073541953442
Energy: 0.8683121540648945
Energy: 0.9892073541953442
Energy: 0.8683121540648945
Energy: 0.8785455534826724
Energy: 1.1477406373023633
Energy: 0.8785455534821381
Energy: 1.1477406373028975
Energy: 0.8785455534821381
Energy: 1.1477406373023633
Energy: 0.8681518525055515
Energy: 1.148930218799736
Energy: 0.8681518525055515
Energy: 1.2163934280663162
Energy: 0.8681518525055515
Energy: 1.0635384894931643
Energy: 1.0020883603348651
Energy: 0.8696582040715755
Energy: 1.002088360334331
Energy: 0.869658204072644
Energy: 1.0020883603348651
Energy: 0.869658204072644
Energy: 0.9321173138885575
Energy: 0.9529786573298433
Energy: 0.9321173138890916
Energy: 1.121781425030348
Energy: 0.9321173138890916
Energy: 0.9964550147491961
Energy: 0.8555843269206658
Energy: 1.0524676784961364
Energy: 0.8555843269206658
Energy: 1.0524676784961364
Energy: 0.8555843269206658
Energy: 1.0524676784961364
Energy: 1.0404099434373302
Energy: 0.9001034448996976
Energy: 1.0404099434367957
Energy: 0.9368289564968222
Energy: 1.0404099434341243
Energy: 0.8784364753232042
Energy: 0.9870903099950763
Energy: 0.8815829420690589
Energy: 0.9870903099950763
Energy: 0.8815829420690589
Energy: 0.9870903099950763
Energy: 0.8815829420695931
Energy: 0.8941685282800163
Energy: 1.1707480357437596
Energy: 0.8941685282794818
Energy: 1.190937896558888
Energy: 0.8941685282794818
Energy: 1.1449547959959236
Energy: 0.9957626081123424
Energy: 0.9690834365553044
Energy: 0.9957626081123424
Energy: 0.9690834365553044
Energy: 0.9957626081118081
Energy: 0.9690834365558386
Energy: 1.0132550494914794
Energy: 0.8836038277773861
Energy: 1.0132550494914794
Energy: 0.8836038277768519
Energy: 1.0132550494920136
Energy: 0.8836038277768519
Energy: 0.855643593032216
Energy: 1.224974460858447
Energy: 0.855643593032216
Energy: 1.2249744608589812
Energy: 0.855643593032216
Energy: 1.2249744608589812
Energy: 0.855843792745316
Energy: 0.9796758565225161
Energy: 0.8558437927458502
Energy: 0.9796758565219819
Energy: 0.855843792745316
Energy: 0.9796758565214474
Energy: 0.9890293857761872
Energy: 0.8696238463314029
Energy: 0.9890293857756529
Energy: 0.8696238463314029
Energy: 0.9890293857756529
Energy: 0.8696238463308686
Energy: 0.8795055665857868
Energy: 1.0425051124214328
Energy: 0.8795055665863211
Energy: 1.0425051124208988
Energy: 0.8795055665873895
Energy: 1.0425051124203646
Energy: 0.8702712335683163
Energy: 1.0930516238456056
Energy: 0.8702712335683163
Energy: 1.0930516238456056
Energy: 0.8702712335683163
Energy: 1.0930516238461396
Energy: 1.2253016924353037
Energy: 0.8685505778470813
Energy: 1.2253016924353037
Energy: 0.8685505778470813
Energy: 1.2253016924353037
Energy: 0.8685505778470813
Energy: 1.0140697445200506
Energy: 0.8688969803063559
Energy: 1.0140697445195164
Energy: 0.86889698030689
Energy: 1.0140697445200506
Energy: 0.8688969803074243
Energy: 0.8568178057073366
Energy: 1.0137456330920493
Energy: 0.8568178057078708
Energy: 1.0424915580295977
Energy: 0.8568178057078708
Energy: 0.9828439578620429
Energy: 1.039907794329134
Energy: 0.891231792004363
Energy: 1.0399077943285997
Energy: 0.891231792004363
Energy: 1.0399077943285997
Energy: 0.8912317920038285
Energy: 1.0821902425969032
Energy: 0.8834230686257442
Energy: 1.082190242596369
Energy: 0.8834230686257442
Energy: 1.0821902425969032
Energy: 0.8834230686257442
Energy: 0.8941532621616355
Energy: 1.1810214487540895
Energy: 0.8941532621616355
Energy: 1.1810214487540895
Energy: 0.8941532621611011
Energy: 1.1810214487540895
Energy: 0.8944655773534139
Energy: 1.024154821429889
Energy: 0.8944655773534139
Energy: 1.0241548214303988
Energy: 0.8944655773534139
Energy: 1.0241548214303988
Energy: 0.9829168717371097
Energy: 0.8812835938862685
Energy: 0.9829168717365756
Energy: 0.8812835938857344
Energy: 0.9829168717371097
Energy: 0.8812835938862685
Energy: 0.8562366018863284
Energy: 1.156709252291545
Energy: 0.8562366018863284
Energy: 1.156709252291545
Energy: 0.8562366018863284
Energy: 1.156709252291545
Energy: 0.8556509795188396
Energy: 0.9519447021244766
Energy: 0.8556509795188396
Energy: 0.9519447021244766
Energy: 0.8556509795188396
Energy: 0.9519447021239423
Energy: 1.0925548889243657
Energy: 0.8684242912361748
Energy: 1.0925548889243657
Energy: 0.8684242912361748
Energy: 1.0925548889238315
Energy: 0.8684242912356406
Energy: 1.1439417628237074
Energy: 0.8688847935535362
Energy: 1.1439417628237074
Energy: 0.8688847935530021
Energy: 1.1439417628237074
Energy: 0.8688847935535362

minimum gb energy = 0.8555843269206658 eV
minimum distance =  2.34935101395906 Angstroms
sigma value = 33


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

Energy: 0.015501494215866643
Energy: 0.8064078616540269
Energy: 0.015501494215866643
Energy: 0.8064078616548901
Energy: 0.015501494215866643
Energy: 0.8064078616548901
Energy: 0.01616824903395708
Energy: 0.2556195584476647
Energy: 0.01616824903395708
Energy: 0.2556195584472455
Energy: 0.01616824903437634
Energy: 0.2556195584476647
Energy: 0.9253215348269139
Energy: 0.25544624082260237
Energy: 1.34082444706581
Energy: 0.25544624082260237
Energy: 1.9592295144507912
Energy: 0.25544624082260237
Energy: 0.016168249034820264
Energy: 0.25561955844680156
Energy: 0.016168249034820264
Energy: 0.25561955844680156
Energy: 0.01616824903437634
Energy: 0.25561955844635764

minimum gb energy = 0.015501494215866643 eV
minimum distance =  2.54406198880506 Angstroms
sigma value = 1