Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
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=3.61492508649826
cohesive_energy=3.540501757109522
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: 4.9999999997e-06 eV

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

Energy: 0.013694549238863969
Energy: 0.7711347536127352
Energy: 0.013694549239142742
Energy: 0.771134753612108
Energy: 0.013694549239142742
Energy: 0.771134753612108
Energy: 0.771134753612108
Energy: 0.8032724657013093
Energy: 0.771134753612108
Energy: 0.8032724657052819
Energy: 0.7711347536124217
Energy: 0.8032724657052819
Energy: 0.013694549238863969
Energy: 0.771134753612108
Energy: 0.013694549239142742
Energy: 0.7711347536124217
Energy: 0.013694549239142742
Energy: 0.7711347536124217
Energy: 0.771134753612108
Energy: 0.8032724657077212
Energy: 0.771134753612108
Energy: 0.8032724657065015
Energy: 0.771134753612108
Energy: 0.8032724657040622
Energy: 0.013694549238863969
Energy: 0.771134753612108
Energy: 0.013694549239142742
Energy: 0.771134753612108
Energy: 0.013694549239142742
Energy: 0.771134753612108
Energy: 0.771134753612108
Energy: 0.8032724657040622
Energy: 0.771134753612108
Energy: 0.8032724657059092
Energy: 0.771134753612108
Energy: 0.8032724657049682

minimum gb energy = 0.013694549238863969 eV
minimum distance =  2.37239705996192 Angstroms
sigma value = 1


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

Energy: 0.9384059089099791
Energy: 0.8818103334720208
Energy: 0.9384059089099791
Energy: 0.8818103334720208
Energy: 0.9384059089107342
Energy: 0.8818103334727756
Energy: 1.009241273300914
Energy: 0.8216498246390455
Energy: 1.0092412732956293
Energy: 0.8216498246390455
Energy: 1.0092412732963842
Energy: 0.8216498246390455
Energy: 0.8878099511924631
Energy: 0.9278093443638475
Energy: 0.8878099511932179
Energy: 0.9278093443593181
Energy: 0.8878099511924631
Energy: 0.927809344360828
Energy: 0.9912179258033914
Energy: 0.8619197485769345
Energy: 0.9912179258026363
Energy: 0.8619197485769345
Energy: 0.9912179258026363
Energy: 0.8619197485769345
Energy: 0.8929108951940821
Energy: 0.9378345496319993
Energy: 0.892910895194837
Energy: 0.9378345496312445
Energy: 0.8929108951963468
Energy: 0.9378345496236951
Energy: 0.9359859270706342
Energy: 0.8387095332563501
Energy: 0.9359859270706342
Energy: 0.8387095332548403
Energy: 0.9359859270698794
Energy: 0.8387095332548403
Energy: 0.8609867311229001
Energy: 0.9217725807297248
Energy: 0.8609867311251648
Energy: 0.9217725807297248
Energy: 0.86098673112441
Energy: 0.9217725807304797
Energy: 0.8622027978828884
Energy: 0.9925386594169354
Energy: 0.8622027978828884
Energy: 0.9925386594184451
Energy: 0.8622027978828884
Energy: 0.992538659419955
Energy: 0.9538560981504626
Energy: 0.928236243321776
Energy: 0.9538560981504626
Energy: 0.928236243321776
Energy: 0.9538560981504626
Energy: 0.928236243322531
Energy: 0.8117609067994614
Energy: 0.9796794178884868
Energy: 0.8117609067979515
Energy: 0.9796794178937713
Energy: 0.8117609067987064
Energy: 0.9796794178869769
Energy: 0.9276906781915573
Energy: 0.8382007406663032
Energy: 0.9276906781908022
Energy: 0.8382007406670583
Energy: 0.9276906781908022
Energy: 0.8382007406670583
Energy: 0.7944990306683857
Energy: 0.9557562011914156
Energy: 0.7944990306683857
Energy: 0.9557562011921705
Energy: 0.7944990306691405
Energy: 0.9557562011929254
Energy: 1.0199161214474692
Energy: 0.7892842184216001
Energy: 1.019916121448224
Energy: 0.789284218422355
Energy: 1.0199161214474692
Energy: 0.7892842184216001
Energy: 0.8520255603760218
Energy: 0.8691854143388106
Energy: 0.8520255603760218
Energy: 0.8691854143388106
Energy: 0.8520255603767767
Energy: 0.8691854143380557
Energy: 1.0399563425245628
Energy: 0.8222246868237132
Energy: 1.0399563425260725
Energy: 0.8222246868237132
Energy: 1.0399563425215432
Energy: 0.8222246868237132
Energy: 1.0398979887181963
Energy: 0.9359629366378888
Energy: 1.0398979887174413
Energy: 0.9359629366371337
Energy: 1.0398979887181963
Energy: 0.9359629366409083
Energy: 0.9123714965062967
Energy: 0.9057162126799604
Energy: 0.9123714965055418
Energy: 0.9057162126814701
Energy: 0.912371496503277
Energy: 0.9057162126814701
Energy: 0.9124152642876054
Energy: 0.870757006215059
Energy: 0.9124152642860954
Energy: 0.8707570062135492
Energy: 0.9124152642853406
Energy: 0.870757006215059
Energy: 0.9003918184224791
Energy: 0.8615414461007405
Energy: 0.9003918184224791
Energy: 0.8615414461007405
Energy: 0.9003918184224791
Energy: 0.8615414460999856
Energy: 0.938192430965192
Energy: 0.8386225281919707
Energy: 0.938192430963682
Energy: 0.8386225281919707
Energy: 0.938192430963682
Energy: 0.8386225281919707
Energy: 0.8315546865950227
Energy: 0.9887129031868032
Energy: 0.8315546865950227
Energy: 0.9887129031837834
Energy: 0.8315546865950227
Energy: 0.9887129031845383
Energy: 0.9401734556213572
Energy: 0.9235050315539227
Energy: 0.9401734556206022
Energy: 0.9235050315539227
Energy: 0.9401734556198473
Energy: 0.9235050315539227
Energy: 0.8067434730616059
Energy: 0.9935435922399131
Energy: 0.8067434730616059
Energy: 0.9935435922376482
Energy: 0.8067434730616059
Energy: 0.993543592239158

minimum gb energy = 0.7892842184216001 eV
minimum distance =  2.29949699937516 Angstroms
sigma value = 33


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

Energy: 0.9783370851694033
Energy: 0.9867123792986886
Energy: 0.9379963824402278
Energy: 0.9867123792991179
Energy: 0.9783370851698326
Energy: 0.9867123793047002
Energy: 0.974058440997388
Energy: 0.8707310639954485
Energy: 0.9740584410003937
Energy: 0.8707310639954485
Energy: 0.974058440997388
Energy: 0.8707310639937309
Energy: 0.8187334152912025
Energy: 0.8700462811988725
Energy: 0.8187334152886261
Energy: 0.8700462811967254
Energy: 0.8187334152912025
Energy: 0.8700462812001607
Energy: 1.014698657448188
Energy: 0.9511250722206697
Energy: 1.0146986574421766
Energy: 0.9511250722198109
Energy: 1.014698657448188
Energy: 0.9511250722241048
Energy: 0.9066969908698653
Energy: 0.9143862424466466
Energy: 0.9066969908741596
Energy: 0.9143862424449289
Energy: 0.906696990869436
Energy: 0.9143862424522288
Energy: 0.8841166707681438
Energy: 0.8186863921815123
Energy: 0.884116670794298
Energy: 0.8186863921815123
Energy: 0.8841166707779807
Energy: 0.8186863921840888
Energy: 0.9904988347553204
Energy: 0.9379164134015743
Energy: 0.9904988347540322
Energy: 0.9379164134028626
Energy: 0.9904988347557498
Energy: 0.9379164134053999
Energy: 0.7854404896398136
Energy: 0.9786250930316965
Energy: 0.7854404896423899
Energy: 0.9786250930308379
Energy: 0.7854404896398136
Energy: 0.9786250930286908
Energy: 0.8340707470160219
Energy: 0.8212599070787716
Energy: 0.8340707470160219
Energy: 0.8212599070787716
Energy: 0.8340707470160219
Energy: 0.8212599070809184
Energy: 0.8053981255455368
Energy: 0.9123820807980539
Energy: 0.8053983041891537
Energy: 0.9123820807959069
Energy: 0.8053981255459661
Energy: 0.9123820808062125
Energy: 0.9355303691039977
Energy: 0.8070699478704761
Energy: 0.9355303667206021
Energy: 0.8070699478704761
Energy: 0.9355303658364316
Energy: 0.807069947869188
Energy: 0.8190229410254831
Energy: 0.8712926579497765
Energy: 0.8190231700700956
Energy: 0.8712926579497765
Energy: 0.8190229410254831
Energy: 0.8712926579506352
Energy: 0.9396401732910331
Energy: 0.8178985997098983
Energy: 0.9396401732910331
Energy: 0.8178985997098983
Energy: 0.9396401732884565
Energy: 0.8178985997141922
Energy: 0.9466662397808128
Energy: 0.9910380277485002
Energy: 0.9466662397803834
Energy: 0.9910380277476413
Energy: 0.9466662397808128
Energy: 0.9910380277446357
Energy: 0.9103449797635155
Energy: 0.8702573350764689
Energy: 0.9103449797622273
Energy: 0.8702573350768983
Energy: 0.9103449797656625
Energy: 0.8702573350760395
Energy: 0.8188053965985819
Energy: 0.8701889212032934
Energy: 0.8188053966011583
Energy: 0.8701889212024346
Energy: 0.8188053965985819
Energy: 0.8701889212084072
Energy: 0.9947640978255189
Energy: 0.9518218798026243
Energy: 0.9947640978268071
Energy: 0.951821879802195
Energy: 0.9947640978250895
Energy: 0.9518218798026243
Energy: 0.9037708931791285
Energy: 0.8184188449000873
Energy: 0.9037708931825638
Energy: 0.8184188449000873
Energy: 0.9037708931804167
Energy: 0.8184188449026637
Energy: 0.886027366495959
Energy: 0.8900824249372977
Energy: 0.886027366494671
Energy: 0.8900824249351508
Energy: 0.886027366495959
Energy: 0.8900824249312862
Energy: 0.9878512024520282
Energy: 0.9402007304338157
Energy: 0.9878512024546044
Energy: 0.9402007304338157
Energy: 0.9878512024520282
Energy: 0.9402007304316687
Energy: 0.7836059837260023
Energy: 0.9808045640100975
Energy: 0.7836059837290079
Energy: 0.9808045640122445
Energy: 0.7836059837264316
Energy: 0.9808045640113858
Energy: 0.8702914610449415
Energy: 0.8213596530441054
Energy: 0.8702914610453708
Energy: 0.8213596530441054
Energy: 0.8702914610462296
Energy: 0.821359653041529
Energy: 0.8043442299185787
Energy: 0.9137960523161532
Energy: 0.8043429618704588
Energy: 0.9137960523170121
Energy: 0.8043442299190083
Energy: 0.9137960523152945
Energy: 0.9310733001919032
Energy: 0.9043072896447317
Energy: 0.9310733001421319
Energy: 0.9043072896443024
Energy: 0.9310733000854904
Energy: 0.9043072896434435
Energy: 0.8187072715559082
Energy: 0.8840905393403459
Energy: 0.8187535988480747
Energy: 0.8840905393407755
Energy: 0.8187072715563375
Energy: 0.8840905393399165
Energy: 0.9785432436446975
Energy: 0.978647325358584
Energy: 0.9379555922066101
Energy: 0.9786473253598723
Energy: 0.9785432436455563
Energy: 0.9786473253594427
Energy: 0.9782715957706093
Energy: 0.9574323450358989
Energy: 0.9382163597346519
Energy: 0.9574323450346106
Energy: 0.9782715957693212
Energy: 0.9574323450290286
Energy: 0.8185269379436755
Energy: 0.8705128379156687
Energy: 0.8185269379449637
Energy: 0.8705128379152393
Energy: 0.8185269379441049
Energy: 0.870512837916098
Energy: 0.9115693750257949
Energy: 0.872958874174672
Energy: 0.9115693750206421
Energy: 0.872958874174672
Energy: 0.9115693750257949
Energy: 0.8729588741755308
Energy: 0.8043311647047143
Energy: 0.9354836518027168
Energy: 0.8043311647081496
Energy: 0.9354836448465399
Energy: 0.8043311647047143
Energy: 0.9354836141212846
Energy: 0.9040202490584855
Energy: 0.8213221588286395
Energy: 0.9040202490593443
Energy: 0.8213221588286395
Energy: 0.904020249058915
Energy: 0.8213221588286395
Energy: 0.8171948847805258
Energy: 0.9403164037436967
Energy: 0.817194884786108
Energy: 0.9403164037428379
Energy: 0.8171948847809551
Energy: 0.9403164037381145
Energy: 0.9878710145956283
Energy: 0.9401704387727584
Energy: 0.9878710145994927
Energy: 0.9401704387727584
Energy: 0.9878710145956283
Energy: 0.9401704387783407
Energy: 0.8726617413464148
Energy: 0.9104497380378879
Energy: 0.8726617413459855
Energy: 0.9104497380383174
Energy: 0.8726617413459855
Energy: 0.9104497380396055
Energy: 0.8702080569166322
Energy: 0.8187549641018955
Energy: 0.8702080569170615
Energy: 0.8187549641018955
Energy: 0.8702080569170615
Energy: 0.8187549641010367
Energy: 0.955338119423253
Energy: 0.9817748366655483
Energy: 0.9553381194193884
Energy: 0.9817748366646893
Energy: 0.9553381194236823
Energy: 0.9817748366638307
Energy: 0.8184484756566044
Energy: 0.9038436168628085
Energy: 0.8184449357488327
Energy: 0.9038436168628085
Energy: 0.8184484756566044
Energy: 0.903843616862379
Energy: 0.8909802075453558
Energy: 0.8833580664030386
Energy: 0.8909802075483615
Energy: 0.8833580664047562
Energy: 0.8909802075440675
Energy: 0.883358066403468
Energy: 0.9465149592453176
Energy: 0.9911731841347748
Energy: 0.9465149592444587
Energy: 0.9911731841352042
Energy: 0.946514959244888
Energy: 0.9911731841343455
Energy: 0.9790660811250582
Energy: 0.7839803345021732
Energy: 0.9790660811250582
Energy: 0.7839803345021732
Energy: 0.9790660811250582
Energy: 0.7839803344991673
Energy: 0.8189422547337741
Energy: 0.8318735834325326
Energy: 0.8189422547311979
Energy: 0.8318735834325326
Energy: 0.8189422547337741
Energy: 0.8318735834295268

minimum gb energy = 0.7836059837260023 eV
minimum distance =  2.40049041238142 Angstroms
sigma value = 51


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

Energy: 0.9177971568307045
Energy: 0.9287167229978149
Energy: 0.9177971568307045
Energy: 0.9287167229988098
Energy: 0.9177971568307045
Energy: 0.9287167229988098
Energy: 0.9810834674566243
Energy: 0.871726206902635
Energy: 0.9810834674566243
Energy: 0.871726206902635
Energy: 0.9810834674556295
Energy: 0.871726206902635
Energy: 0.8453994272266021
Energy: 0.921533638935212
Energy: 0.8453994272266021
Energy: 0.9215336389372017
Energy: 0.8453994272266021
Energy: 0.9215336389362068
Energy: 0.9104916265520773
Energy: 0.8035492678300845
Energy: 0.9104916265520773
Energy: 0.8035492678300845
Energy: 0.9104916265520773
Energy: 0.8035492678300845
Energy: 0.9292222993235618
Energy: 0.8889040921960693
Energy: 0.9292222993245566
Energy: 0.8889040921970641
Energy: 0.9292222993235618
Energy: 0.8889040921960693
Energy: 0.9279329796901278
Energy: 0.8888500608203631
Energy: 0.9279329796881379
Energy: 0.8888500608193681
Energy: 0.9279329796901278
Energy: 0.8888500608193681
Energy: 0.9091033132480256
Energy: 0.8890601285269755
Energy: 0.9091033132480256
Energy: 0.8890601285269755
Energy: 0.9091033132470308
Energy: 0.8890601285269755
Energy: 0.845109257210106
Energy: 0.8896620411421948
Energy: 0.845109257210106
Energy: 0.8896620411411997
Energy: 0.845109257210106
Energy: 0.8896620411421948
Energy: 1.0450290657153134
Energy: 0.7996081466457571
Energy: 1.0450290657153134
Energy: 0.7996081466457571
Energy: 1.0450290657173031
Energy: 0.7996081466457571
Energy: 0.8213459786050243
Energy: 0.937583082514444
Energy: 0.8213459786050243
Energy: 0.9375830825114592
Energy: 0.8213459786050243
Energy: 0.9375830825084744
Energy: 0.9647823886990903
Energy: 0.8034011435200249
Energy: 0.9647823886990903
Energy: 0.8034011435200249
Energy: 0.9647823886990903
Energy: 0.8034011435200249
Energy: 0.9209962736861312
Energy: 0.93080538817369
Energy: 0.9209962736861312
Energy: 0.930805388174685
Energy: 0.9209962736861312
Energy: 0.930805388174685
Energy: 0.9782762493293671
Energy: 0.8701511707798475
Energy: 0.9782762493283722
Energy: 0.8701511707798475
Energy: 0.9782762493293671
Energy: 0.8701511707808425
Energy: 0.8778324119509332
Energy: 0.8574337045530374
Energy: 0.8778324119509332
Energy: 0.8574337045530374
Energy: 0.8778324119509332
Energy: 0.8574337045540324
Energy: 0.9200093832773649
Energy: 0.9212988431836482
Energy: 0.9200093832783598
Energy: 0.9212988431836482
Energy: 0.9200093832773649
Energy: 0.9212988431836482
Energy: 0.9272270880714684
Energy: 0.8888724063521881
Energy: 0.9272270880704734
Energy: 0.8888724063511932
Energy: 0.9272270880704734
Energy: 0.8888724063511932
Energy: 0.9286002510987281
Energy: 0.9652254246787513
Energy: 0.9286002510987281
Energy: 0.965225424679746
Energy: 0.9286002510987281
Energy: 0.965225424679746
Energy: 0.9089882073714037
Energy: 0.8930618075641723
Energy: 0.9089882073714037
Energy: 0.8930618075641723
Energy: 0.9089882073723986
Energy: 0.8930618075631775

minimum gb energy = 0.7996081466457571 eV
minimum distance =  2.29542922732517 Angstroms
sigma value = 19


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

Energy: 0.7614192922468228
Energy: 0.77058106071301
Energy: 0.7614192922462326
Energy: 0.77058106071301
Energy: 0.7614192922462326
Energy: 0.77058106071301
Energy: 0.8438895249682308
Energy: 0.9216822987660852
Energy: 0.8438895249676407
Energy: 0.9216822987654951
Energy: 0.8438895249652801
Energy: 0.9216822987660852
Energy: 0.728035582593861
Energy: 0.9195084865439616
Energy: 0.7280355825932707
Energy: 0.9195084865445518
Energy: 0.728035582593861
Energy: 0.9195084865439616
Energy: 0.7977749426809159
Energy: 0.7280490141114915
Energy: 0.7977749426803257
Energy: 0.7280490141114915
Energy: 0.797774942681506
Energy: 0.7280490141114915
Energy: 0.7495205962824596
Energy: 0.7589507527414979
Energy: 0.7495205962818695
Energy: 0.758950752742088
Energy: 0.7495205962830497
Energy: 0.758950752742088
Energy: 0.7495111383906106
Energy: 0.7588364015228322
Energy: 0.7495111383906106
Energy: 0.7588364015234222
Energy: 0.7495111383906106
Energy: 0.7588364015228322
Energy: 0.7975344909693539
Energy: 0.7281222679898641
Energy: 0.7975344909693539
Energy: 0.7281222679898641
Energy: 0.797534490969944
Energy: 0.7281222679898641
Energy: 0.7279996124234345
Energy: 0.9194241746483175
Energy: 0.7279996124228444
Energy: 0.9194241746489076
Energy: 0.7279996124234345
Energy: 0.9194241746494977
Energy: 0.8437378985561135
Energy: 0.9215065272633256
Energy: 0.8437378985561135
Energy: 0.9215065272633256
Energy: 0.8437378985572939
Energy: 0.9215065272633256
Energy: 0.7614192922468228
Energy: 0.7705810607136001
Energy: 0.7614192922468228
Energy: 0.77058106071301
Energy: 0.7614192922468228
Energy: 0.77058106071301
Energy: 0.8438895249658702
Energy: 0.9216822987666754
Energy: 0.8438895249694113
Energy: 0.9216822987666754
Energy: 0.8438895249700014
Energy: 0.9216822987654951
Energy: 0.728035582593861
Energy: 0.9195084865433714
Energy: 0.7280355825944511
Energy: 0.9195084865445518
Energy: 0.728035582593861
Energy: 0.9195084865433714
Energy: 0.7977749426809159
Energy: 0.7280490141114915
Energy: 0.7977749426809159
Energy: 0.7280490141114915
Energy: 0.7977749426803257
Energy: 0.7280490141114915
Energy: 0.7495205962824596
Energy: 0.7589507527414979
Energy: 0.7495205962818695
Energy: 0.7589507527414979
Energy: 0.7495205962818695
Energy: 0.7589507527409076
Energy: 0.7495111383912009
Energy: 0.7588364015228322
Energy: 0.7495111383900205
Energy: 0.7588364015228322
Energy: 0.7495111383906106
Energy: 0.758836401522242
Energy: 0.7975344909693539
Energy: 0.7281222679898641
Energy: 0.7975344909693539
Energy: 0.7281222679898641
Energy: 0.797534490969944
Energy: 0.7281222679898641
Energy: 0.7279996124228444
Energy: 0.9194241746471372
Energy: 0.7279996124228444
Energy: 0.9194241746506514
Energy: 0.7279996124228444
Energy: 0.9194241746494977
Energy: 0.8437378985555234
Energy: 0.9215065272633256
Energy: 0.8437378985561135
Energy: 0.9215065272639157
Energy: 0.8437378985555234
Energy: 0.9215065272633256
Energy: 0.7614192922468228
Energy: 0.7705810607136001
Energy: 0.7614192922468228
Energy: 0.77058106071301
Energy: 0.7614192922468228
Energy: 0.77058106071301
Energy: 0.8438895249658702
Energy: 0.9216822987666754
Energy: 0.8438895249652801
Energy: 0.9216822987660852
Energy: 0.8438895249676407
Energy: 0.9216822987660852
Energy: 0.728035582593861
Energy: 0.9195084865439616
Energy: 0.728035582593861
Energy: 0.9195084865451418
Energy: 0.7280355825932707
Energy: 0.9195084865439616
Energy: 0.7977749426809159
Energy: 0.7280490141114915
Energy: 0.7977749426809159
Energy: 0.7280490141114915
Energy: 0.7977749426809159
Energy: 0.7280490141109013
Energy: 0.7495205962824596
Energy: 0.7589507527414979
Energy: 0.7495205962824596
Energy: 0.7589507527414979
Energy: 0.7495205962824596
Energy: 0.7589507527414979
Energy: 0.7495111383906106
Energy: 0.7588364015216518
Energy: 0.7495111383906106
Energy: 0.7588364015216518
Energy: 0.7495111383900205
Energy: 0.758836401522242
Energy: 0.7975344909687638
Energy: 0.7281222679898641
Energy: 0.7975344909693539
Energy: 0.7281222679904542
Energy: 0.7975344909687638
Energy: 0.7281222679898641
Energy: 0.7279996124228444
Energy: 0.9194241746477274
Energy: 0.7279996124228444
Energy: 0.9194241746489076
Energy: 0.7279996124228444
Energy: 0.9194241746494977
Energy: 0.8437378985567037
Energy: 0.9215065272633256
Energy: 0.8437378985561135
Energy: 0.9215065272639157
Energy: 0.8437378985561135
Energy: 0.9215065272633256
Energy: 0.7614192922468228
Energy: 0.77058106071301
Energy: 0.7614192922462326
Energy: 0.77058106071301
Energy: 0.7614192922468228
Energy: 0.77058106071301
Energy: 0.8438895249652801
Energy: 0.9216822987666754
Energy: 0.8438895249658702
Energy: 0.9216822987666754
Energy: 0.8438895249694113
Energy: 0.9216822987660852
Energy: 0.728035582593861
Energy: 0.9195084865433714
Energy: 0.7280355825932707
Energy: 0.9195084865439616
Energy: 0.728035582593861
Energy: 0.9195084865439616

minimum gb energy = 0.7279996124228444 eV
minimum distance =  2.31077288191467 Angstroms
sigma value = 27


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

Energy: 0.7527453123083714
Energy: 0.7293940447938266
Energy: 0.7527453123083714
Energy: 0.7293940447938266
Energy: 0.7527453123083714
Energy: 0.7293940447938266
Energy: 0.8635317802343483
Energy: 0.7582816611762955
Energy: 0.8635317802372393
Energy: 0.7582816611762955
Energy: 0.8635317802343483
Energy: 0.7582816611762955
Energy: 0.8263466371120768
Energy: 0.8383312871142917
Energy: 0.8263466371106313
Energy: 0.8383312871142917
Energy: 0.8263466371120768
Energy: 0.8383312871142917
Energy: 0.844142256770203
Energy: 0.7086267629121871
Energy: 0.8441422567687576
Energy: 0.7086267629121871
Energy: 0.8441422567687576
Energy: 0.7086267629121871
Energy: 0.8421297977253691
Energy: 0.708639529590946
Energy: 0.8421297977268146
Energy: 0.708639529590946
Energy: 0.8421297977268146
Energy: 0.708639529590946
Energy: 0.8559178116996683
Energy: 0.8932752805648639
Energy: 0.8559178116996683
Energy: 0.8932752805663096
Energy: 0.8559178116982227
Energy: 0.8932752805663096
Energy: 0.7090648283341777
Energy: 0.7612477390506377
Energy: 0.7090648283341777
Energy: 0.7612477390506377
Energy: 0.7090648283341777
Energy: 0.7612477390506377
Energy: 0.7477061549204653
Energy: 0.733045015535069
Energy: 0.7477061549204653
Energy: 0.733045015535069
Energy: 0.7477061549204653
Energy: 0.733045015535069
Energy: 0.8585015946725087
Energy: 0.7546800801972948
Energy: 0.8585015946725087
Energy: 0.754680079288425
Energy: 0.8585015946725087
Energy: 0.7546800816205246
Energy: 0.8219157668330556
Energy: 0.8636617602473043
Energy: 0.8219157668330556
Energy: 0.86366176024875
Energy: 0.8219157668330556
Energy: 0.8636617602516411
Energy: 0.8658714580741452
Energy: 0.7094600199451583
Energy: 0.7958319222153817
Energy: 0.7094600199465712
Energy: 0.7958319222153817
Energy: 0.7094600199465712
Energy: 0.8888935452142875
Energy: 0.8152632767173278
Energy: 0.8888935452142875
Energy: 0.8152632767173278
Energy: 0.8888935452142875
Energy: 0.8152632767173278

minimum gb energy = 0.7086267629121871 eV
minimum distance =  2.28975241973536 Angstroms
sigma value = 9


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

Energy: 0.7559536578022982
Energy: 0.7230250574316637
Energy: 0.7559536578035166
Energy: 0.7230250574316637
Energy: 0.7559536578031105
Energy: 0.7230250574316637
Energy: 0.7177494243571717
Energy: 0.6931860607169694
Energy: 0.7177494243514853
Energy: 0.6931860607169694
Energy: 0.7177494243527037
Energy: 0.6931860607165632
Energy: 0.658854295667454
Energy: 0.7359136141262614
Energy: 0.6588542956678602
Energy: 0.7359136141282923
Energy: 0.6588542956682664
Energy: 0.7359136141295107
Energy: 0.6799085402622999
Energy: 0.6528531065647654
Energy: 0.6799085402635183
Energy: 0.6528531065647654
Energy: 0.6799085402622999
Energy: 0.6528531065647654
Energy: 0.7180710286416239
Energy: 0.7020476419837915
Energy: 0.718071028639593
Energy: 0.7020476419833853
Energy: 0.7180710286412177
Energy: 0.7020476419837915
Energy: 0.7352190418819895
Energy: 0.7728752458773891
Energy: 0.7352190418828018
Energy: 0.750005622714639
Energy: 0.7352190418811771
Energy: 0.7249779732343369
Energy: 0.6936416902558797
Energy: 0.7551360430816569
Energy: 0.693641690258723
Energy: 0.7551360430816569
Energy: 0.6936416902566921
Energy: 0.7551360430816569
Energy: 0.6390024219249872
Energy: 0.7513761835071224
Energy: 0.6390024219249872
Energy: 0.7513761835079348
Energy: 0.6390024219237688
Energy: 0.7513761835083409
Energy: 0.7336404677515167
Energy: 0.702062552627695
Energy: 0.7336404677527352
Energy: 0.702062552627695
Energy: 0.733640467752329
Energy: 0.702062552627695
Energy: 0.7214014989564372
Energy: 0.8120009973979408
Energy: 0.7214014989576558
Energy: 0.8120009973995653
Energy: 0.7214014989572496
Energy: 0.8120009973995653
Energy: 0.6784639614671546
Energy: 0.6588354829739929
Energy: 0.6784639614667484
Energy: 0.6588354829735866
Energy: 0.6784639614663422
Energy: 0.6588354829735866
Energy: 0.6842859309625775
Energy: 0.7450453428632985
Energy: 0.6842859309621714
Energy: 0.7450453428608614
Energy: 0.6842859309617652
Energy: 0.7450453428612677
Energy: 0.7156820988415297
Energy: 0.7102052161314476
Energy: 0.715682098842342
Energy: 0.7102052161326662
Energy: 0.7156820988403112
Energy: 0.710205216129823
Energy: 0.7516234128387167
Energy: 0.7282612634094249
Energy: 0.7516234128374982
Energy: 0.7282612634114557
Energy: 0.7516234128419291
Energy: 0.7282612634065816
Energy: 0.6656885366100932
Energy: 0.7312901760173733
Energy: 0.6656885366092807
Energy: 0.7312901760177796
Energy: 0.665688536609687
Energy: 0.7312901760173733
Energy: 0.6651064317738409
Energy: 0.7383161157004204
Energy: 0.6651064317734346
Energy: 0.7383161156983896
Energy: 0.6651064317738409
Energy: 0.7383161156975772
Energy: 0.8722084679933925
Energy: 0.6534515713226607
Energy: 0.8722084679937987
Energy: 0.6534515713230669
Energy: 0.8722084679929863
Energy: 0.6534515713226607
Energy: 0.6748022332148753
Energy: 0.7002676920281554
Energy: 0.6748022332156877
Energy: 0.7002676920281554
Energy: 0.6748022332148753
Energy: 0.7002676920277492
Energy: 0.6355431591237919
Energy: 0.8808441621367832
Energy: 0.6355431591233858
Energy: 0.8808441621355647
Energy: 0.6355431591221673
Energy: 0.880844162136377
Energy: 0.7847463810737896
Energy: 0.6985148723550902
Energy: 0.7847463810758202
Energy: 0.6471528541623508
Energy: 0.7847463810762264
Energy: 0.6471528541684435
Energy: 0.6355490163428563
Energy: 0.8808832770895861
Energy: 0.6355490163404193
Energy: 0.8808832770899923
Energy: 0.6355490163416377
Energy: 0.8808832770899923
Energy: 0.6748669908680676
Energy: 0.7001028347269397
Energy: 0.6748669908672553
Energy: 0.7001028347265336
Energy: 0.6748669908684738
Energy: 0.7001028347269397
Energy: 0.8724083034306561
Energy: 0.6536775144592999
Energy: 0.8724083034290315
Energy: 0.6536775144597061
Energy: 0.8724083034298438
Energy: 0.6536775144588938
Energy: 0.6649050115962492
Energy: 0.6949003483477086
Energy: 0.6649050115950306
Energy: 0.6949003483481148
Energy: 0.6649050115925935
Energy: 0.6949003483477086
Energy: 0.665694249413616
Energy: 0.7314049028560223
Energy: 0.6656942494140221
Energy: 0.7314049028568347
Energy: 0.665694249413616
Energy: 0.7314049028568347
Energy: 0.7515351505341394
Energy: 0.72838688020381
Energy: 0.75153515053089
Energy: 0.7283868802042163
Energy: 0.7515351505325147
Energy: 0.7283868802042163
Energy: 0.7156381526225573
Energy: 0.7102477639874911
Energy: 0.7156381526254005
Energy: 0.7102477639891158
Energy: 0.7156381526221511
Energy: 0.7102477639895219
Energy: 0.684504587753702
Energy: 0.662742455231361
Energy: 0.6845045877545144
Energy: 0.662742455231361
Energy: 0.6845045877545144
Energy: 0.6627424552317671
Energy: 0.6775666279480882
Energy: 0.6587697879403508
Energy: 0.6775666279480882
Energy: 0.6587697879403508
Energy: 0.6775666279480882
Energy: 0.6587697879399447
Energy: 0.7191859577712544
Energy: 0.638432845538482
Energy: 0.7191859577760915
Energy: 0.6384328455449807
Energy: 0.7191859577752792
Energy: 0.6384328455421374
Energy: 0.7337503264608677
Energy: 0.7020756110147109
Energy: 0.7337503264612739
Energy: 0.7020756110147109
Energy: 0.7337503264612739
Energy: 0.7020756110143047
Energy: 0.6389184693133535
Energy: 0.7516285199696477
Energy: 0.6389184693133535
Energy: 0.7516285199688354
Energy: 0.6389184693141658
Energy: 0.7516285199688354
Energy: 0.6937149418769614
Energy: 0.7551601417690029
Energy: 0.6937149418773675
Energy: 0.7551601417694092
Energy: 0.6937149418753367
Energy: 0.7551601417694092
Energy: 0.7351176619747203
Energy: 0.6751627785922715
Energy: 0.7351176619730956
Energy: 0.6751627785922715
Energy: 0.7351176619726895
Energy: 0.6751627785922715
Energy: 0.7179043076890415
Energy: 0.7020094832615426
Energy: 0.7179043076898538
Energy: 0.7020094832611364
Energy: 0.7179043076898538
Energy: 0.7020094832615426
Energy: 0.6798935580378633
Energy: 0.652755735637325
Energy: 0.6798935580390819
Energy: 0.6527557356377313
Energy: 0.6798935580382696
Energy: 0.6527557356377313
Energy: 0.6587903937615008
Energy: 0.7360662152132496
Energy: 0.6587903937631255
Energy: 0.7360662152108125
Energy: 0.6587903937631255
Energy: 0.7360662152083755
Energy: 0.717619499387812
Energy: 0.6951192100564286
Energy: 0.7176194993849688
Energy: 0.6951192100564286
Energy: 0.7176194993890306
Energy: 0.6951192100576471
Energy: 0.755953657806766
Energy: 0.7230250574312574
Energy: 0.7559536578083906
Energy: 0.7230250574312574
Energy: 0.7559536578071723
Energy: 0.7230250574312574
Energy: 0.7177494243616396
Energy: 0.6526412485756143
Energy: 0.7177494243583902
Energy: 0.6526412485756143
Energy: 0.7177494243563594
Energy: 0.6526412485756143
Energy: 0.6588542956654232
Energy: 0.7359136141189503
Energy: 0.6588542956658293
Energy: 0.7359136141189503
Energy: 0.6588542956654232
Energy: 0.7359136141221997
Energy: 0.6799085402639244
Energy: 0.6528531065667962
Energy: 0.6799085402643307
Energy: 0.6528531065676085
Energy: 0.6799085402643307
Energy: 0.6528531065667962
Energy: 0.7180710286404055
Energy: 0.7020476419817607
Energy: 0.7180710286387808
Energy: 0.7020476419821667
Energy: 0.7180710286404055
Energy: 0.7020476419821667

minimum gb energy = 0.6355431591221673 eV
minimum distance =  2.35743595735691 Angstroms
sigma value = 57


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

Energy: 0.332208841596582
Energy: 0.33964031779203013
Energy: 0.332208841596582
Energy: 0.33964031779295467
Energy: 0.3322088415975066
Energy: 0.33964031779295467
Energy: 0.41264202593098265
Energy: 0.3330855786193098
Energy: 0.4126420259319073
Energy: 0.3330855786202344
Energy: 0.41264202593098265
Energy: 0.3330855786202344
Energy: 0.3701132146123116
Energy: 0.40701260068797585
Energy: 0.3701132146123116
Energy: 0.40701260068705125
Energy: 0.3701132146123116
Energy: 0.40701260068797585
Energy: 0.3417881557428407
Energy: 0.332046501687315
Energy: 0.3417881557428407
Energy: 0.33204650168916416
Energy: 0.3417881557428407
Energy: 0.3320465016882395
Energy: 0.414795959481924
Energy: 0.4201928608693494
Energy: 0.414795959481924
Energy: 0.4201928608693494
Energy: 0.4147959594828486
Energy: 0.4201928608693494
Energy: 0.33236734077725066
Energy: 0.3693091295099772
Energy: 0.33236734077725066
Energy: 0.3693091295099772
Energy: 0.33236734077725066
Energy: 0.3693091295099772
Energy: 0.33236591294292533
Energy: 0.36997394304051345
Energy: 0.33236591294292533
Energy: 0.36997394304051345
Energy: 0.33236591294385
Energy: 0.36997394304051345
Energy: 0.4148061256024287
Energy: 0.4201580999476651
Energy: 0.4148061256024287
Energy: 0.4201580999476651
Energy: 0.41480612560335334
Energy: 0.4201580999476651
Energy: 0.34179254988033186
Energy: 0.33210785201981763
Energy: 0.34179254988033186
Energy: 0.3321078520151947
Energy: 0.34179254988033186
Energy: 0.33210785201796844
Energy: 0.3700916373637794
Energy: 0.40696687318617353
Energy: 0.3700916373637794
Energy: 0.40696687318709807
Energy: 0.3700916373637794
Energy: 0.40696687318709807
Energy: 0.4162171468033642
Energy: 0.33319141236004934
Energy: 0.41621714680243965
Energy: 0.33319141236004934
Energy: 0.41621714680243965
Energy: 0.33319141236004934
Energy: 0.332208841596582
Energy: 0.33964031779295467
Energy: 0.332208841596582
Energy: 0.33964031779295467
Energy: 0.332208841596582
Energy: 0.33964031779295467
Energy: 0.4126420259328319
Energy: 0.3330855786202344
Energy: 0.4126420259319073
Energy: 0.3330855786202344
Energy: 0.4126420259319073
Energy: 0.3330855786202344
Energy: 0.3701132146123116
Energy: 0.40701260068797585
Energy: 0.3701132146123116
Energy: 0.40701260068705125
Energy: 0.3701132146123116
Energy: 0.40701260068705125
Energy: 0.3417881557428407
Energy: 0.33204650169008876
Energy: 0.3417881557428407
Energy: 0.33204650169101335
Energy: 0.3417881557428407
Energy: 0.3320465016863904
Energy: 0.4147959594828486
Energy: 0.42019286086842483
Energy: 0.4147959594828486
Energy: 0.42019286086842483
Energy: 0.4147959594828486
Energy: 0.42019286086842483
Energy: 0.33236734077725066
Energy: 0.3693091295099772
Energy: 0.33236734077725066
Energy: 0.3693091295099772
Energy: 0.33236734077632607
Energy: 0.3693091295099772
Energy: 0.33236591294385
Energy: 0.36997394304051345
Energy: 0.33236591294292533
Energy: 0.36997394304143805
Energy: 0.33236591294292533
Energy: 0.36997394303958886
Energy: 0.4148061256024287
Energy: 0.4201580999476651
Energy: 0.4148061256024287
Energy: 0.4201580999476651
Energy: 0.41480612560335334
Energy: 0.4201580999476651

minimum gb energy = 0.3320465016863904 eV
minimum distance =  2.44367546646418 Angstroms
sigma value = 11


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

Energy: 0.5958383161991817
Energy: 0.5824278248478029
Energy: 0.5958383161991817
Energy: 0.5824278248505119
Energy: 0.5958383161991817
Energy: 0.5824278248450938
Energy: 0.7309318857154945
Energy: 0.6216296309834701
Energy: 0.7309318857148173
Energy: 0.6216296309827929
Energy: 0.7309318857161717
Energy: 0.6216296309834701
Energy: 0.7258137844852709
Energy: 0.8222805450145905
Energy: 0.7258137844859482
Energy: 0.8222805450145905
Energy: 0.7258137844852709
Energy: 0.8222805450139132
Energy: 0.747554925152803
Energy: 0.5632708926744666
Energy: 0.7475549251534803
Energy: 0.5632708926744666
Energy: 0.7475549251521257
Energy: 0.5632708926744666
Energy: 0.5583670181545113
Energy: 0.541222404621957
Energy: 0.5583670181558658
Energy: 0.541222404621957
Energy: 0.5583670181551885
Energy: 0.541222404621957
Energy: 0.6744717231666411
Energy: 0.5555868828736937
Energy: 0.6744717231673184
Energy: 0.555586882874371
Energy: 0.6744717231659638
Energy: 0.555586882874371
Energy: 0.5371713746497735
Energy: 0.5930113133277679
Energy: 0.5371713746518053
Energy: 0.5930113133277679
Energy: 0.5371713746504507
Energy: 0.5930113133264132
Energy: 0.7287785978973789
Energy: 0.5189015426090082
Energy: 0.7287785978967015
Energy: 0.5189015426090082
Energy: 0.7287785978973789
Energy: 0.5189015426090082
Energy: 0.7262351439961505
Energy: 0.5217110574888929
Energy: 0.7262351439954732
Energy: 0.5217110574888929
Energy: 0.7262351439947959
Energy: 0.5217110574882157
Energy: 0.5311252704401188
Energy: 0.7718791760183839
Energy: 0.5311252704401188
Energy: 0.7718791760204156
Energy: 0.5311252704401188
Energy: 0.7718791760190611
Energy: 0.7004857626098152
Energy: 0.6899792760290551
Energy: 0.7004857626125244
Energy: 0.6899792760290551
Energy: 0.7004857626104924
Energy: 0.6899792760290551
Energy: 0.5583488035700064
Energy: 0.5437345085875074
Energy: 0.5583488035679746
Energy: 0.5437345085875074
Energy: 0.5583488035686518
Energy: 0.5437345085868301
Energy: 0.6412495041987234
Energy: 0.5670754809249635
Energy: 0.6412495041987234
Energy: 0.5670754809249635
Energy: 0.6412495041987234
Energy: 0.5670754809256408
Energy: 0.7105020408998771
Energy: 0.801382329243589
Energy: 0.7105020408998771
Energy: 0.8013823292408797
Energy: 0.7105020409012317
Energy: 0.8013823292422345
Energy: 0.744255966243388
Energy: 0.6209726537573287
Energy: 0.744255966243388
Energy: 0.6209726537580059
Energy: 0.744255966243388
Energy: 0.6209726537586832
Energy: 0.5925915524096904
Energy: 0.5844993208479543
Energy: 0.5925915524103677
Energy: 0.584499320849986
Energy: 0.5925915524090131
Energy: 0.5844993208445678
Energy: 0.5924371441920695
Energy: 0.6195916409063491
Energy: 0.5924371441927468
Energy: 0.6195916409070263
Energy: 0.5924371441934241
Energy: 0.6195916409063491
Energy: 0.8381325269584691
Energy: 0.6240497157144564
Energy: 0.8381325269605008
Energy: 0.6240497157144564
Energy: 0.8381325269577917
Energy: 0.624049715713102
Energy: 0.670989762295628
Energy: 0.5607816378959142
Energy: 0.670989762295628
Energy: 0.5607816378972688
Energy: 0.6709897622935963
Energy: 0.5607816378952369
Energy: 0.5596638589215954
Energy: 0.6493718411212944
Energy: 0.5596638589222728
Energy: 0.6493718411212944
Energy: 0.55966385892295
Energy: 0.6493718411206171
Energy: 0.531698239770946
Energy: 0.5576872603329036
Energy: 0.5316982397716233
Energy: 0.5576872603308719
Energy: 0.5316982397723006
Energy: 0.5576872603295172
Energy: 0.5689915131375319
Energy: 0.5916015252656937
Energy: 0.5689915131361774
Energy: 0.5916015252643391
Energy: 0.5689915131375319
Energy: 0.5916015252629845
Energy: 0.6385557972676278
Energy: 0.653779267843617
Energy: 0.6385557972662732
Energy: 0.653779267843617
Energy: 0.638555797268305
Energy: 0.6537792678442942
Energy: 0.6574238734824482
Energy: 0.5495025663063196
Energy: 0.6574238734844801
Energy: 0.5495025663097061
Energy: 0.6574238734824482
Energy: 0.5495025663069969
Energy: 0.5317501089474233
Energy: 0.7722442505975124
Energy: 0.5317501089474233
Energy: 0.772244250598867
Energy: 0.531750108946746
Energy: 0.7722442506008989
Energy: 1.0010303020168203
Energy: 0.6904404556435959
Energy: 1.0010303020168203
Energy: 0.6904404556435959
Energy: 1.0010303020168203
Energy: 0.6904404556435959

minimum gb energy = 0.5189015426090082 eV
minimum distance =  2.35367731674526 Angstroms
sigma value = 41


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

Energy: 0.6684167051056344
Energy: 0.6002708700302205
Energy: 0.6684167051061682
Energy: 0.6002708700302205
Energy: 0.6684167051061682
Energy: 0.6002708700302205
Energy: 0.6443708520299956
Energy: 0.6360522981747369
Energy: 0.6443708520299956
Energy: 0.6360522981758043
Energy: 0.6443708520299956
Energy: 0.6360522981763382
Energy: 0.6987189031278809
Energy: 0.7006758543854451
Energy: 0.6987189031278809
Energy: 0.7006758543854451
Energy: 0.6987189031273471
Energy: 0.7006758543865129
Energy: 0.6332974781335684
Energy: 0.5943480499942417
Energy: 0.6332974781399741
Energy: 0.5943480499942417
Energy: 0.6332974781389065
Energy: 0.5943480499947755
Energy: 0.5845464875962929
Energy: 0.6262141760840251
Energy: 0.5845464875962929
Energy: 0.6262141760840251
Energy: 0.5845464875968266
Energy: 0.6262141760840251
Energy: 0.7777605804386922
Energy: 0.6427604906926193
Energy: 0.7777605804376245
Energy: 0.6427604906899503
Energy: 0.7777605804392261
Energy: 0.6427604906926193
Energy: 0.5879497247620599
Energy: 0.8511381083095656
Energy: 0.5879497247620599
Energy: 0.8511381083095656
Energy: 0.5879497247615261
Energy: 0.8511381083095656
Energy: 0.5722342642920426
Energy: 0.5944981445749723
Energy: 0.5722342642920426
Energy: 0.5944981445749723
Energy: 0.5722342642915088
Energy: 0.5944981445749723
Energy: 0.58875271214487
Energy: 0.6179660316198932
Energy: 0.58875271214487
Energy: 0.6179660316198932
Energy: 0.58875271214487
Energy: 0.6179660316204271
Energy: 0.6332258939453012
Energy: 0.6490177998396144
Energy: 0.6332258939458348
Energy: 0.6490177998396144
Energy: 0.6332258939453012
Energy: 0.6490177998412158
Energy: 0.6289416411722608
Energy: 0.6498296774604366
Energy: 0.6289416411722608
Energy: 0.6498296774615043
Energy: 0.6289416411722608
Energy: 0.6498296774609705
Energy: 0.56590978494868
Energy: 0.6194947310017707
Energy: 0.5659097849481463
Energy: 0.6194947310012368
Energy: 0.56590978494868
Energy: 0.6194947309980581
Energy: 0.5728594591534715
Energy: 0.5899639750072468
Energy: 0.5728594591524038
Energy: 0.5899639750077806
Energy: 0.5728594591524038
Energy: 0.5899639750077806
Energy: 0.552821779221829
Energy: 0.6487828605178847
Energy: 0.552821779221829
Energy: 0.6487828605184186
Energy: 0.552821779221829
Energy: 0.6487828605178847
Energy: 0.6295999423046285
Energy: 0.6430531389156098
Energy: 0.6295999423051623
Energy: 0.6430531389124069
Energy: 0.6295999423051623
Energy: 0.6430531389118731
Energy: 0.5522318416015498
Energy: 0.6031284600389044
Energy: 0.5522318416010159
Energy: 0.6031284600383707
Energy: 0.5522318416020835
Energy: 0.6031284600362353
Energy: 0.5764603930471153
Energy: 0.589827072048329
Energy: 0.5764603930465814
Energy: 0.589827072048329
Energy: 0.5764603930471153
Energy: 0.589827072048329
Energy: 0.6010681016380068
Energy: 0.7017841184335052
Energy: 0.601068101637473
Energy: 0.7017841184335052
Energy: 0.6010681016358717
Energy: 0.7017841184335052
Energy: 0.6440298163916168
Energy: 0.6356178910982229
Energy: 0.6440298163921506
Energy: 0.6356178910982229
Energy: 0.6440298163926844
Energy: 0.6356178910976891
Energy: 0.6290691282361796
Energy: 0.653371931887836
Energy: 0.6290691282367135
Energy: 0.6533719318840994
Energy: 0.6290691282345782
Energy: 0.7637479054540026
Energy: 0.5993905261768951
Energy: 0.6364595365356126
Energy: 0.5993905261763613
Energy: 0.6364595365356126
Energy: 0.5993905261768951
Energy: 0.6364595365393493
Energy: 0.614033847663825
Energy: 0.8382859314510562
Energy: 0.6140338476632913
Energy: 0.8382859314499886
Energy: 0.6140338476627574
Energy: 0.8382859314505223
Energy: 0.6339862117679512
Energy: 0.5892884636459137
Energy: 0.6339862117674174
Energy: 0.5892884636453798
Energy: 0.6339862117674174
Energy: 0.5892884636459137
Energy: 0.5523306401181414
Energy: 0.7728885139812403
Energy: 0.5523306401176076
Energy: 0.7728885139828418
Energy: 0.5523306401176076
Energy: 0.772888513981774
Energy: 0.5580401444911757
Energy: 0.7707212980607304
Energy: 0.5580401444911757
Energy: 0.7707212980612643
Energy: 0.5580401444911757
Energy: 0.770721298059129
Energy: 0.5890553836589858
Energy: 0.5884505891373353
Energy: 0.5890553836600535
Energy: 0.5884505891368015
Energy: 0.5890553836589858
Energy: 0.5884505891378691
Energy: 0.5759258268812011
Energy: 0.589280286936401
Energy: 0.5759258268812011
Energy: 0.5892802869358672
Energy: 0.5759258268806673
Energy: 0.589280286936401
Energy: 0.5845134687826182
Energy: 0.6341511095524393
Energy: 0.5845134687836857
Energy: 0.6341511095529732
Energy: 0.5845134687826182
Energy: 0.668666837952246
Energy: 0.6291029626501622
Energy: 0.7590304192172048
Energy: 0.6291029626490945
Energy: 0.7590304192177386
Energy: 0.6291029626496283
Energy: 0.7590304192172048
Energy: 0.6897480037048547
Energy: 0.5523523810840782
Energy: 0.6897480037064561
Energy: 0.5523523810840782
Energy: 0.6897480037059224
Energy: 0.5523523810840782
Energy: 0.568365998396977
Energy: 0.7370930452799161
Energy: 0.568365998396977
Energy: 0.7370930452799161
Energy: 0.568365998396977
Energy: 0.7370930452799161
Energy: 0.5915582737263909
Energy: 0.6200953633435601
Energy: 0.5915582737253233
Energy: 0.6200953633430262
Energy: 0.5915582737253233
Energy: 0.6200953633435601
Energy: 0.5573427268953415
Energy: 0.6062679671231468
Energy: 0.5573427268958754
Energy: 0.6062679671231468
Energy: 0.5573427268948077
Energy: 0.6062679671236806

minimum gb energy = 0.5522318416010159 eV
minimum distance =  2.37785823044595 Angstroms
sigma value = 33


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

Energy: 0.6957937806519655
Energy: 0.6170125159872893
Energy: 0.6957937806512162
Energy: 0.6170125159876639
Energy: 0.6957937806500923
Energy: 0.6170125159872893
Energy: 0.6899807548631248
Energy: 0.5912434173955572
Energy: 0.6899807548646234
Energy: 0.5912434173959319
Energy: 0.6899807548631248
Energy: 0.5912434173955572
Energy: 0.637711388657798
Energy: 0.7130772186636054
Energy: 0.6377113886574234
Energy: 0.7130772186658533
Energy: 0.6377113886559247
Energy: 0.7130772186647294
Energy: 0.6335089281791443
Energy: 0.6070449838055288
Energy: 0.6335089281791443
Energy: 0.6070449838055288
Energy: 0.6335089281787696
Energy: 0.6070449838055288
Energy: 0.6386837783885425
Energy: 0.6738640099997157
Energy: 0.6386837783874185
Energy: 0.6738640100000903
Energy: 0.6386837783870439
Energy: 0.6738640100000903
Energy: 0.8841492818473393
Energy: 0.6239816990245824
Energy: 0.8841492818484632
Energy: 0.623981699024208
Energy: 0.8841492818480886
Energy: 0.6239816990245824
Energy: 0.6191298264051401
Energy: 0.6811211362009765
Energy: 0.6191298264043907
Energy: 0.6811211362009765
Energy: 0.619129826403267
Energy: 0.6811211362017259
Energy: 0.6641256299775513
Energy: 0.6775653813771586
Energy: 0.6641256299790499
Energy: 0.6775653813771586
Energy: 0.6641256299775513
Energy: 0.6775653813771586
Energy: 0.7139083264641365
Energy: 0.6405702299760327
Energy: 0.7139083264630125
Energy: 0.6405702299760327
Energy: 0.7139083264633872
Energy: 0.6405702299760327
Energy: 0.9298226868189179
Energy: 0.6099986431325585
Energy: 0.9298226868200418
Energy: 0.6099986431321838
Energy: 0.9298226868185431
Energy: 0.6099986431321838
Energy: 0.6538929647364128
Energy: 0.652587508926833
Energy: 0.6538929647367874
Energy: 0.6525875089272077
Energy: 0.6538929647364128
Energy: 0.652587508926833
Energy: 0.6738944642183894
Energy: 0.6071806226291931
Energy: 0.673894464207525
Energy: 0.6071806226291931
Energy: 0.6738944642588158
Energy: 0.6071806226291931
Energy: 0.6399396211133629
Energy: 0.7135450252339445
Energy: 0.6399396211133629
Energy: 0.7135450252343192
Energy: 0.6399396211137376
Energy: 0.7135450252343192
Energy: 0.6710169474588541
Energy: 0.6591782851476777
Energy: 0.6710169474588541
Energy: 0.6591782851480524
Energy: 0.6710169474584795
Energy: 0.6591782851480524
Energy: 0.6622841635784996
Energy: 0.6177349262039623
Energy: 0.6622841635803728
Energy: 0.6177349262039623
Energy: 0.6622841635788743
Energy: 0.6177349262035876
Energy: 0.6286317978149315
Energy: 0.7114816475841672
Energy: 0.6286317978141822
Energy: 0.7114816475837926
Energy: 0.6286317978145568
Energy: 0.7114816475856658
Energy: 0.6745475473591593
Energy: 0.5998449175835109
Energy: 0.6745475473595339
Energy: 0.5998449175835109
Energy: 0.6745475473576608
Energy: 0.5998449175831362
Energy: 0.6033009773507304
Energy: 0.6339587937433543
Energy: 0.6033009773503558
Energy: 0.633958793742605
Energy: 0.6033009773507304
Energy: 0.633958793742605
Energy: 0.7158042622291623
Energy: 0.6374283160397096
Energy: 0.7158042622329086
Energy: 0.6374283160400843
Energy: 0.7158042621883611
Energy: 0.6374283160397096
Energy: 0.7168093991836653
Energy: 0.6460477014662283
Energy: 0.71680939918404
Energy: 0.6460477014658536
Energy: 0.7168093991825414
Energy: 0.646047701465479
Energy: 0.6236322649480947
Energy: 0.6569680545686731
Energy: 0.6236322649477201
Energy: 0.6569680545686731
Energy: 0.6236322649480947
Energy: 0.6569680545694223
Energy: 0.5876387415282001
Energy: 0.6907306655983747
Energy: 0.5876387415278255
Energy: 0.6907306655994987
Energy: 0.5876387415270761
Energy: 0.6907306655987494
Energy: 0.6624136253732199
Energy: 0.5830489062565026
Energy: 0.6624136253743439
Energy: 0.5830489062568773
Energy: 0.6624136253732199
Energy: 0.5830489062576265
Energy: 0.6124806009065374
Energy: 0.6665263753039129
Energy: 0.6124806009065374
Energy: 0.6665263753042875
Energy: 0.612480600905039
Energy: 0.6665263753057861
Energy: 0.6735389472940461
Energy: 0.5997364423940675
Energy: 0.6735389472824664
Energy: 0.5997364423933181
Energy: 0.6735389472873027
Energy: 0.5997364423948168
Energy: 0.6209661943003658
Energy: 0.6666651615905184
Energy: 0.6209661942992419
Energy: 0.6666651615905184
Energy: 0.6209661942996165
Energy: 0.6666651615905184
Energy: 0.6882678371882256
Energy: 0.6215302164849636
Energy: 0.6882678371882256
Energy: 0.621530216484589
Energy: 0.6882678371874764
Energy: 0.621530216484589
Energy: 0.6717028416051012
Energy: 0.6130452163774522
Energy: 0.6717028416036027
Energy: 0.6130452163778268
Energy: 0.6717028416043519
Energy: 0.6130452163778268
Energy: 0.6406886136552202
Energy: 0.7136244689652389
Energy: 0.6406886136552202
Energy: 0.7136244689656135
Energy: 0.6406886136552202
Energy: 0.7136244689663629
Energy: 0.6068960166742106
Energy: 0.9289504547822611
Energy: 0.6068960166742106
Energy: 0.9289504547830104
Energy: 0.6068960166757089
Energy: 0.928950454783385
Energy: 0.6311273848919242
Energy: 0.6008048765025427
Energy: 0.6311273848915495
Energy: 0.6008048765025427
Energy: 0.6311273848915495
Energy: 0.6008048765025427
Energy: 0.6126511350634675
Energy: 0.6737027446242216
Energy: 0.6126511350627182
Energy: 0.67370274451224
Energy: 0.6126511350627182
Energy: 0.6737027445743954
Energy: 0.7182753608626972
Energy: 0.6190099105143932
Energy: 0.7182753608641957
Energy: 0.6190099105117709
Energy: 0.718275360864945
Energy: 0.6190099105151425
Energy: 0.6555412404191258
Energy: 0.6658535968353536
Energy: 0.6555412404191258
Energy: 0.6658535968353536
Energy: 0.6555412404187512
Energy: 0.6658535968349789
Energy: 0.6554212382578075
Energy: 0.6658134167144228
Energy: 0.6554212382578075
Energy: 0.6658134167140481
Energy: 0.6554212382581822
Energy: 0.6658134167140481
Energy: 0.7184761725461015
Energy: 0.618982721661185
Energy: 0.718476172545727
Energy: 0.6189827216600611
Energy: 0.7184761725453523
Energy: 0.6189827216600611
Energy: 0.6126544613579773
Energy: 0.6739523660824708
Energy: 0.6126544613594758
Energy: 0.673952366084344
Energy: 0.6126544613579773
Energy: 0.6739523660839692
Energy: 0.6311012205741164
Energy: 0.6009274093220677
Energy: 0.6311012205741164
Energy: 0.6009274093220677
Energy: 0.6311012205737419
Energy: 0.600927409321693
Energy: 0.6069132657833879
Energy: 0.928525297489573
Energy: 0.6069132657826386
Energy: 0.9285252974899476
Energy: 0.606913265782264
Energy: 0.928525297489573
Energy: 0.6406352423524225
Energy: 0.7135898555876747
Energy: 0.6406352423509241
Energy: 0.7135898555869254
Energy: 0.6406352423512985
Energy: 0.7135898555873
Energy: 0.6579759284326119
Energy: 0.6129846442151003
Energy: 0.6579759284326119
Energy: 0.6129846442151003
Energy: 0.6579759284329865
Energy: 0.6129846442151003
Energy: 0.6886210481219592
Energy: 0.6215998376562016
Energy: 0.6886210481208354
Energy: 0.6215998376562016
Energy: 0.6886210481227085
Energy: 0.6215998376562016
Energy: 0.6210935295932566
Energy: 0.6664576048393807
Energy: 0.6210935295921327
Energy: 0.66645760484013
Energy: 0.6210935295932566
Energy: 0.6664576048393807
Energy: 0.673647603533407
Energy: 0.5996403683597998
Energy: 0.673647603534531
Energy: 0.5996403683597998
Energy: 0.673647603534531
Energy: 0.5996403683597998
Energy: 0.6124550987336805
Energy: 0.6668459281876554
Energy: 0.6124550987340551
Energy: 0.6668459281887792
Energy: 0.6124550987336805
Energy: 0.666845928186906
Energy: 0.6624873493372201
Energy: 0.5829916446635672
Energy: 0.6624873493394681
Energy: 0.5829916446598211
Energy: 0.6624873493390934
Energy: 0.5829916446605703
Energy: 0.5878878047729694
Energy: 0.6910854500731453
Energy: 0.5878878047718455
Energy: 0.6910854500727706
Energy: 0.5878878047725948
Energy: 0.6910854500735198

minimum gb energy = 0.5829916446598211 eV
minimum distance =  2.37596319196697 Angstroms
sigma value = 67


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

Energy: 0.7165902602191963
Energy: 0.6623689676714144
Energy: 0.7165902602189685
Energy: 0.6623689676714144
Energy: 0.7165902602194523
Energy: 0.6623689676714144
Energy: 0.6968065174516643
Energy: 0.607774753604824
Energy: 0.6968065174516643
Energy: 0.6077747536053361
Energy: 0.6968065174516643
Energy: 0.60777475360508
Energy: 0.6498326727664108
Energy: 0.7805100518296688
Energy: 0.6498326727661548
Energy: 0.780510051829925
Energy: 0.6498326727661548
Energy: 0.780510051829925
Energy: 0.6967866982199964
Energy: 0.6077721970740791
Energy: 0.6967866982197687
Energy: 0.607772197073823
Energy: 0.6967866982199964
Energy: 0.607772197074335
Energy: 0.7165902602184564
Energy: 0.6623689676744304
Energy: 0.7165902602184564
Energy: 0.6623689676741743
Energy: 0.7165902602191963
Energy: 0.6623689676744304
Energy: 0.6968065174516643
Energy: 0.6077747536055922
Energy: 0.6968065174516643
Energy: 0.6077747536053361
Energy: 0.6968065174519205
Energy: 0.6077747536055922
Energy: 0.6498326727649029
Energy: 0.780510051831433
Energy: 0.6498326727651589
Energy: 0.780510051831433
Energy: 0.6498326727643906
Energy: 0.780510051831689

minimum gb energy = 0.607772197073823 eV
minimum distance =  2.38457280453946 Angstroms
sigma value = 3


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

Energy: 0.8877269304821168
Energy: 0.774223921845609
Energy: 0.8877269304807539
Energy: 0.7742239218459186
Energy: 0.8877269304807539
Energy: 0.7742239218459186
Energy: 0.7768251495851137
Energy: 0.717526585964952
Energy: 0.7768251495864766
Energy: 0.7175265859642704
Energy: 0.7768251495844323
Energy: 0.7175265859645803
Energy: 0.7278409695497502
Energy: 0.7900273927711385
Energy: 0.7278409695497502
Energy: 0.7900273927704572
Energy: 0.7278409695501218
Energy: 0.7900273927735547
Energy: 0.7919311721892611
Energy: 0.7463797412313108
Energy: 0.7919311721878983
Energy: 0.7463797412313108
Energy: 0.7919311721885798
Energy: 0.746379741231001
Energy: 0.7917828771952442
Energy: 0.7965326412489028
Energy: 0.7917828771938813
Energy: 0.79653264124754
Energy: 0.7917828771935714
Energy: 0.7965326412492746
Energy: 0.7524111602793843
Energy: 0.7707567127925312
Energy: 0.7524111602800657
Energy: 0.7707567127922215
Energy: 0.7524111602777116
Energy: 0.7707567127925312
Energy: 0.791007682143196
Energy: 0.7979933456134355
Energy: 0.7910076821445589
Energy: 0.7979933456134355
Energy: 0.7910076821438775
Energy: 0.7979933456144266
Energy: 0.7264298470951652
Energy: 0.7815020858490722
Energy: 0.7264298470982626
Energy: 0.7815020858511166
Energy: 0.7264298470965281
Energy: 0.7815020858493821
Energy: 0.7679259000174185
Energy: 0.7756397631430928
Energy: 0.7679259000187814
Energy: 0.7756397631424112
Energy: 0.7679259000177283
Energy: 0.7756397631434025
Energy: 0.7815612479565196
Energy: 0.7708423310586457
Energy: 0.7815612479562097
Energy: 0.7708423310575926
Energy: 0.7815612479565196
Energy: 0.7708423310569112
Energy: 0.7603736575740782
Energy: 0.8457746325563269
Energy: 0.7603736575733967
Energy: 0.8457746325553356
Energy: 0.7603736575733967
Energy: 0.845774632556017
Energy: 0.7393189173865108
Energy: 0.7934638929615052
Energy: 0.7393189173882454
Energy: 0.7934638929618769
Energy: 0.7393189173878737
Energy: 0.7934638929611955
Energy: 0.7861943319364872
Energy: 0.7439360053107278
Energy: 0.7861943319398945
Energy: 0.7439360053086834
Energy: 0.7861943319361774
Energy: 0.7439360053093648
Energy: 0.7802491190395521
Energy: 0.7476322407445668
Energy: 0.7802491190385608
Energy: 0.7476322407428941
Energy: 0.7802491190392422
Energy: 0.7476322407435756
Energy: 0.7982372857080419
Energy: 0.7466977940061408
Energy: 0.7982372857070508
Energy: 0.7466977940055214
Energy: 0.7982372857070508
Energy: 0.7466977940061408
Energy: 0.7753066877898562
Energy: 0.7546240659781862
Energy: 0.7753066877915289
Energy: 0.7546240659791774
Energy: 0.7753066877908474
Energy: 0.7546240659795491
Energy: 0.8152258579689282
Energy: 0.7183399182126855
Energy: 0.8152258579682466
Energy: 0.7183399182123137
Energy: 0.815225857969238
Energy: 0.7183399182123137
Energy: 0.7816989839620669
Energy: 0.7471021309746297
Energy: 0.7816989839610758
Energy: 0.7471021309957547
Energy: 0.7816989839617572
Energy: 0.7471021309845417
Energy: 0.7869154716542955
Energy: 0.8041298887954667
Energy: 0.7869154716573931
Energy: 0.8041298887954667
Energy: 0.7869154716464899
Energy: 0.8041298887957765
Energy: 0.7391474407847981
Energy: 0.7994858853506713
Energy: 0.7391474407817626
Energy: 0.799485885353397
Energy: 0.7391474407844884
Energy: 0.7994858853479455
Energy: 0.8166394396394131
Energy: 0.7713422718084644
Energy: 0.8166394396356962
Energy: 0.7713422718088361
Energy: 0.8166394396370591
Energy: 0.7713422718084644
Energy: 0.7377485367157843
Energy: 0.8042806929159748
Energy: 0.73774853671374
Energy: 0.8042806929152934
Energy: 0.7377485367120674
Energy: 0.8042806929149217
Energy: 0.7626866849917109
Energy: 0.7515850611967919
Energy: 0.7626866849920205
Energy: 0.7515850611967919
Energy: 0.7626866849927021
Energy: 0.7515850611961105
Energy: 0.7313343232178494
Energy: 0.7716551206119863
Energy: 0.7313343232164865
Energy: 0.7716551206119863
Energy: 0.7313343232171681
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Energy: 0.8206131644630855
Energy: 0.771279680761563
Energy: 0.8206131644630855
Energy: 0.7712796807618727
Energy: 0.820613164463767
Energy: 0.7712796807622445
Energy: 0.7549918797726642
Energy: 0.7888684002077263
Energy: 0.7549918797699385
Energy: 0.7888684002077263
Energy: 0.7549918797709297
Energy: 0.7888684002073545
Energy: 0.7685887454248473
Energy: 0.7696674653014304
Energy: 0.7685887454200772
Energy: 0.7696674653010588
Energy: 0.7685887454193957
Energy: 0.7696674653010588
Energy: 0.7675882894740148
Energy: 0.714422565666082
Energy: 0.7675882894750681
Energy: 0.714422565666082
Energy: 0.7675882894757495
Energy: 0.7144225656657104
Energy: 0.7699580249884084
Energy: 0.7184484083339444
Energy: 0.7699580249921255
Energy: 0.7184484083342542
Energy: 0.7699580249877269
Energy: 0.7184484083339444
Energy: 0.801816745209817
Energy: 0.7501215993019215
Energy: 0.801816745209817
Energy: 0.7501215993015499
Energy: 0.8018167452094453
Energy: 0.7501215993019215
Energy: 0.7952005690845951
Energy: 0.7345526323736569
Energy: 0.7952005690828606
Energy: 0.7345526323739666
Energy: 0.7952005690839137
Energy: 0.7345526323743383
Energy: 0.7664078297845902
Energy: 0.7184978444375105
Energy: 0.7664078297859531
Energy: 0.7184978444372008
Energy: 0.7664078297848999
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Energy: 0.7736718830172625
Energy: 0.7260558982821175
Energy: 0.7736718830209796
Energy: 0.7260558982821175
Energy: 0.7736718830196166
Energy: 0.7260558982814981
Energy: 0.7762621070610608
Energy: 0.7886512737889861
Energy: 0.776262107059698
Energy: 0.7886512737893576
Energy: 0.7762621070610608
Energy: 0.7886512737893576
Energy: 0.7487671939050835
Energy: 0.7615381615960911
Energy: 0.748767193908181
Energy: 0.7615381615957814
Energy: 0.7487671939061367
Energy: 0.7615381615960911
Energy: 0.8065169300315588
Energy: 0.7723126089190654
Energy: 0.806516930030196
Energy: 0.7723126089190654
Energy: 0.8065169300315588
Energy: 0.772312608919747
Energy: 0.731607289537945
Energy: 0.8132771912679878
Energy: 0.7316072895365822
Energy: 0.8132771912676162
Energy: 0.7316072895345377
Energy: 0.813277191270342
Energy: 0.7763343831772304
Energy: 0.7628628957252396
Energy: 0.7763343831670088
Energy: 0.762862895725921
Energy: 0.7763343831673803
Energy: 0.7628628957256112
Energy: 0.7159733759571625
Energy: 0.8118077010747146
Energy: 0.7159733759557997
Energy: 0.811807701075396
Energy: 0.7159733759554899
Energy: 0.811807701075396
Energy: 0.8297894878915785
Energy: 0.7720397345809537
Energy: 0.8297894878983928
Energy: 0.772039734580644
Energy: 0.8297894878963485
Energy: 0.7720397345799626
Energy: 0.7412541207065745
Energy: 0.8368297664897908
Energy: 0.741254120707256
Energy: 0.8368297664836577
Energy: 0.7412541207065745
Energy: 0.8368297664880561
Energy: 0.8482439270682532
Energy: 0.7255618938804981
Energy: 0.8482439270668904
Energy: 0.7255618938804981
Energy: 0.8482439270682532
Energy: 0.7255618938804981
Energy: 0.7257742166902759
Energy: 0.760950360068792
Energy: 0.7257742166930016
Energy: 0.7609503600684201
Energy: 0.7257742166912671
Energy: 0.7609503600691016
Energy: 0.8146009224597193
Energy: 0.718652864545554
Energy: 0.8146009224576748
Energy: 0.7186528645451823
Energy: 0.8146009224590379
Energy: 0.718652864545554
Energy: 0.777339734421526
Energy: 0.812633332115662
Energy: 0.7773397344249332
Energy: 0.8126333321231578
Energy: 0.7773397344218976
Energy: 0.8126333320308525
Energy: 0.8423380834416732
Energy: 0.7286006424392292
Energy: 0.8423380834416732
Energy: 0.7286006424392292
Energy: 0.8423380834437175
Energy: 0.7286006424371848
Energy: 0.7528209698952545
Energy: 0.7471743340686339
Energy: 0.7528209698952545
Energy: 0.7471743340662179
Energy: 0.7528209698959359
Energy: 0.7471743340682622
Energy: 0.8076001164787346
Energy: 0.7253274958604349
Energy: 0.8076001164777433
Energy: 0.7253274958601251
Energy: 0.807600116479416
Energy: 0.7253274958577092
Energy: 0.7413368323160144
Energy: 0.7965941298307855
Energy: 0.741336832317749
Energy: 0.7965941298250241
Energy: 0.741336832317749
Energy: 0.796594129826387
Energy: 0.7874992763335328
Energy: 0.7487837733836091
Energy: 0.7874992763328513
Energy: 0.7487837733781575
Energy: 0.7874992763324795
Energy: 0.7487837733856535
Energy: 0.7681332004927094
Energy: 0.7702598440298265
Energy: 0.7681332004930811
Energy: 0.7702598440287735
Energy: 0.7681332004940723
Energy: 0.7702598440240033

minimum gb energy = 0.7144225656657104 eV
minimum distance =  2.34234615854406 Angstroms
sigma value = 81


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

Energy: 0.8688209371683194
Energy: 0.7866832916988579
Energy: 0.8688209371678517
Energy: 0.7866832916988579
Energy: 0.868820937168787
Energy: 0.7866832916988579
Energy: 0.7421869715693182
Energy: 0.7446133137905959
Energy: 0.7421869715702535
Energy: 0.7446133137905959
Energy: 0.7421869715688505
Energy: 0.7446133137905959
Energy: 0.8050337046048042
Energy: 0.6901458957368819
Energy: 0.8050337046043364
Energy: 0.6901458957373494
Energy: 0.8050337046038688
Energy: 0.6901458957373494
Energy: 0.7572623989619276
Energy: 0.7440250673843257
Energy: 0.7572623989614599
Energy: 0.7440250673843257
Energy: 0.7572623989609922
Energy: 0.7440250673843257
Energy: 0.7699596579022848
Energy: 0.6972749215318383
Energy: 0.7699596579013496
Energy: 0.6972749215318383
Energy: 0.7699596579018173
Energy: 0.6972749215318383
Energy: 0.7453518905096405
Energy: 0.7373642686129936
Energy: 0.7453518905101081
Energy: 0.7373642686134615
Energy: 0.7453518905096405
Energy: 0.7373642686134615
Energy: 0.6868129120823353
Energy: 0.7355836649138798
Energy: 0.6868129120832707
Energy: 0.7355836649129446
Energy: 0.6868129120837383
Energy: 0.7355836649134122
Energy: 0.7454707219403539
Energy: 0.7456537621885637
Energy: 0.7454707219389508
Energy: 0.7456537621885637
Energy: 0.7454707219398863
Energy: 0.7456537621890313
Energy: 0.821501601049296
Energy: 0.7901769413040916
Energy: 0.821501601049296
Energy: 0.7901769413031563
Energy: 0.8215016010497637
Energy: 0.7901769413078327
Energy: 0.7918941315701685
Energy: 0.8212338935690079
Energy: 0.7918941315678303
Energy: 0.8212338935685402
Energy: 0.7918941315687656
Energy: 0.8212338935694755
Energy: 0.7548190945343012
Energy: 0.757814069388893
Energy: 0.7548190945338336
Energy: 0.757814069388893
Energy: 0.7548190945343012
Energy: 0.757814069388893
Energy: 0.6902398337135962
Energy: 0.7419623223152196
Energy: 0.6902398337131286
Energy: 0.7419623223152196
Energy: 0.6902398337145315
Energy: 0.741962322314752
Energy: 0.7398029187840559
Energy: 0.7453462198633857
Energy: 0.739802918784991
Energy: 0.7453462198638533
Energy: 0.739802918784991
Energy: 0.7453462198638533
Energy: 0.7895688987730712
Energy: 0.6904117407771105
Energy: 0.7895688987763446
Energy: 0.6904117407771105
Energy: 0.789568898775877
Energy: 0.6904117407771105
Energy: 0.8248329758684304
Energy: 0.6882584434474934
Energy: 0.824832975868898
Energy: 0.6882584434474934
Energy: 0.8248329758684304
Energy: 0.6882584434474934
Energy: 0.7455644893801051
Energy: 0.6923389753467348
Energy: 0.7455644893810403
Energy: 0.6923389753467348
Energy: 0.7455644893805727
Energy: 0.6923389753472025
Energy: 0.8212210697761952
Energy: 0.7371534162098643
Energy: 0.8212210697775983
Energy: 0.7371534162098643
Energy: 0.8212210697790012
Energy: 0.737153416210332
Energy: 0.7162540543822311
Energy: 0.8592057209190965
Energy: 0.7162540543817635
Energy: 0.859205720918629
Energy: 0.7162540543822311
Energy: 0.8592057209190965
Energy: 0.6960315885399485
Energy: 0.7481677764372159
Energy: 0.6960315885399485
Energy: 0.7481677764372159
Energy: 0.6960315885385456
Energy: 0.7481677764367484
Energy: 0.7436176056031493
Energy: 0.867529449373636
Energy: 0.7436176056031493
Energy: 0.867529449373636
Energy: 0.7436176056045523
Energy: 0.8675294493731684
Energy: 0.6981675485950332
Energy: 0.7449191110765678
Energy: 0.6981675485940979
Energy: 0.7449191110761001
Energy: 0.6981675485945654
Energy: 0.7449191110765678
Energy: 0.7805593747241768
Energy: 0.7565599539241599
Energy: 0.7805593747237092
Energy: 0.7565599539241599
Energy: 0.7805593747241768
Energy: 0.7565599539241599
Energy: 0.7769371978246165
Energy: 0.6771793170952831
Energy: 0.776937197825084
Energy: 0.6771793170952831
Energy: 0.776937197825084
Energy: 0.6771793170957509
Energy: 0.7436970251792543
Energy: 0.7663620252681862
Energy: 0.7436970251797219
Energy: 0.7663620252677187
Energy: 0.743697025178319
Energy: 0.7663620252681862
Energy: 0.7900825420495656
Energy: 0.832998541905088
Energy: 0.7900825420467599
Energy: 0.8329985419046204
Energy: 0.7900825420472275
Energy: 0.8329985419046204
Energy: 0.8293330387585925
Energy: 0.8788943476928285
Energy: 0.8293330387604632
Energy: 0.8788943476923607
Energy: 0.8293330387609307
Energy: 0.8788943476909579
Energy: 0.7157598926095338
Energy: 0.7562544254483518
Energy: 0.7157598926095338
Energy: 0.7562544254478841
Energy: 0.7157598926100015
Energy: 0.7562544254478841
Energy: 0.8222704158754949
Energy: 0.737667732126204
Energy: 0.8222704158764301
Energy: 0.7376677321266717
Energy: 0.8222704158759625
Energy: 0.7376677321266717
Energy: 0.7450108066999516
Energy: 0.7394103282945417
Energy: 0.745010806699484
Energy: 0.739410328295477
Energy: 0.7450108066999516
Energy: 0.739410328294074
Energy: 0.6903139098650354
Energy: 0.688197004154969
Energy: 0.6903139098659706
Energy: 0.688197004154969
Energy: 0.690313909866906
Energy: 0.6881970041554367
Energy: 0.7433106712961789
Energy: 0.821461707309654
Energy: 0.7433106712957112
Energy: 0.8214617073082511
Energy: 0.7433106712961789
Energy: 0.8214617073068482
Energy: 0.7712553417987461
Energy: 0.7662324378619433
Energy: 0.7712553417982785
Energy: 0.7662324378614757
Energy: 0.7712553417982785
Energy: 0.7662324378619433
Energy: 0.6907476755643218
Energy: 0.7356912607164141
Energy: 0.6907476755661924
Energy: 0.7356912607168818
Energy: 0.6907476755675953
Energy: 0.7356912607122053
Energy: 0.6960060203407481
Energy: 0.6948698024370735
Energy: 0.6960060203416834
Energy: 0.6948698024370735
Energy: 0.6960060203412158
Energy: 0.6948698024366059
Energy: 0.6992599356892336
Energy: 0.947811574555212
Energy: 0.6992599356915717
Energy: 0.947811574555212
Energy: 0.6992599356901688
Energy: 0.947811574555212
Energy: 0.901776267726325
Energy: 0.7441548573957094
Energy: 0.9017762677258574
Energy: 0.744154857396177
Energy: 0.9017762677267926
Energy: 0.7441548573938388
Energy: 0.7448040087224441
Energy: 0.7004112837152611
Energy: 0.7448040087238471
Energy: 0.7004112837157287
Energy: 0.7448040087224441
Energy: 0.7004112837157287
Energy: 0.7566879448326005
Energy: 0.7372823727193092
Energy: 0.7566879448330681
Energy: 0.7372823727193092
Energy: 0.7566879448335357
Energy: 0.7372823727188416

minimum gb energy = 0.6771793170952831 eV
minimum distance =  2.37551523697496 Angstroms
sigma value = 43


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

Energy: 0.9102684732879238
Energy: 0.7153678200881486
Energy: 0.9102684732890725
Energy: 0.7153678200881486
Energy: 0.9102684732884982
Energy: 0.7153678200881486
Energy: 0.791754622729411
Energy: 0.7138755209021332
Energy: 0.791754622729411
Energy: 0.7138755209015588
Energy: 0.791754622729411
Energy: 0.7138755209015588
Energy: 0.8170707875135167
Energy: 0.8672281044573004
Energy: 0.8136780510982016
Energy: 0.8672281044590235
Energy: 0.8136780510982016
Energy: 0.8672281044618956
Energy: 0.729722308498471
Energy: 0.750472040555172
Energy: 0.7297223084978965
Energy: 0.7504720405557466
Energy: 0.7297223084973221
Energy: 0.7504720405557466
Energy: 0.7820624979179798
Energy: 0.7879750032127618
Energy: 0.7820624979185541
Energy: 0.7879750032139107
Energy: 0.7820624979179798
Energy: 0.787975003211613
Energy: 0.7465122977020306
Energy: 0.7706452460108816
Energy: 0.7465122977020306
Energy: 0.7706452460108816
Energy: 0.7465122977020306
Energy: 0.7706452460108816
Energy: 0.8299117411708002
Energy: 0.8297157149337697
Energy: 0.8065170097270438
Energy: 0.8297157149337697
Energy: 0.8299117411708002
Energy: 0.8297157149331953
Energy: 0.7497586649461918
Energy: 0.7789937887876138
Energy: 0.7497586649461918
Energy: 0.7789937887887626
Energy: 0.7497586649461918
Energy: 0.7789937887870394
Energy: 0.8541506500053617
Energy: 0.7103525872132732
Energy: 0.8541506500053617
Energy: 0.7103525872132732
Energy: 0.8541506500053617
Energy: 0.7103525872132732
Energy: 0.741164221792236
Energy: 0.7727311695126358
Energy: 0.741164221792236
Energy: 0.7727311695132101
Energy: 0.7411642217916616
Energy: 0.7727311695132101
Energy: 0.7375141769185861
Energy: 0.7771407775330125
Energy: 0.7375141769203094
Energy: 0.7771407775318897
Energy: 0.7375141769185861
Energy: 0.7771407775318897
Energy: 0.7495577882670987
Energy: 0.7574591671978576
Energy: 0.7495577882676732
Energy: 0.7574591671972832
Energy: 0.7495577882665243
Energy: 0.757459167198432
Energy: 0.8242487598908127
Energy: 0.7708543692273729
Energy: 0.8242487598896638
Energy: 0.7708543692279474
Energy: 0.8242487598890894
Energy: 0.7708543692279474
Energy: 0.6898478932017152
Energy: 0.8644439429311185
Energy: 0.6898478932005664
Energy: 0.8644439429311185
Energy: 0.6898478932005664
Energy: 0.8644439429311185
Energy: 0.7377950789700423
Energy: 0.7880375268690023
Energy: 0.7377950789700423
Energy: 0.7880375268695767
Energy: 0.7377950789700423
Energy: 0.7880375268695767
Energy: 0.7678441627498247
Energy: 0.7634223065891411
Energy: 0.7678441627498247
Energy: 0.7634223065908643
Energy: 0.7678441627492504
Energy: 0.7634223065885666
Energy: 0.7985063609750856
Energy: 0.7135520301404666
Energy: 0.7985063609745114
Energy: 0.7135520301404666
Energy: 0.7985063609745114
Energy: 0.7135520301398922
Energy: 0.8323302446738126
Energy: 0.7564103048169808
Energy: 0.8323302446732384
Energy: 0.7564103048169808
Energy: 0.8323302446732384
Energy: 0.7564103048164065
Energy: 0.8322905376297939
Energy: 0.7437039908486102
Energy: 0.8322905376303683
Energy: 0.7437039908486102
Energy: 0.8322905376297939
Energy: 0.7437039908486102
Energy: 0.7996171956308787
Energy: 0.7138433370455626
Energy: 0.7996171956326019
Energy: 0.7138433370455626
Energy: 0.7996171956343253
Energy: 0.7138433370449881
Energy: 0.7677669141877548
Energy: 0.765834961850051
Energy: 0.7677669141889036
Energy: 0.7658349618506255
Energy: 0.7677669141889036
Energy: 0.7658349618506255
Energy: 0.8216665486402097
Energy: 0.7733815244702217
Energy: 0.8216665486402097
Energy: 0.7733815244696473
Energy: 0.8216665486396353
Energy: 0.7733815244719449
Energy: 0.6907604825697743
Energy: 0.8084313216754495
Energy: 0.6907604825709232
Energy: 0.808431321674875
Energy: 0.6907604825703486
Energy: 0.808431321674875
Energy: 0.8232854758671683
Energy: 0.7710231558205655
Energy: 0.8232854758677427
Energy: 0.7710231558211399
Energy: 0.8232854758677427
Energy: 0.7710231558211399
Energy: 0.7495036176238647
Energy: 0.744833276101357
Energy: 0.7495036176238647
Energy: 0.7448332761007825
Energy: 0.7495036176244392
Energy: 0.7448332761007825
Energy: 0.8215660173966887
Energy: 0.7703336322427882
Energy: 0.8215660173961142
Energy: 0.7703336322427882
Energy: 0.8215660173966887
Energy: 0.7703336322427882
Energy: 0.7638758942662007
Energy: 0.7140672795471946
Energy: 0.7638758942644776
Energy: 0.7140672795471946
Energy: 0.7638758942633287
Energy: 0.7140672795466202
Energy: 0.8050017747241086
Energy: 0.7148346875610366
Energy: 0.8050017747241086
Energy: 0.7148346875616111
Energy: 0.8050017747258318
Energy: 0.7148346875616111
Energy: 0.7494140624002857
Energy: 0.780168360342231
Energy: 0.7494140624002857
Energy: 0.780168360342231
Energy: 0.7494140624002857
Energy: 0.780168360342231
Energy: 0.7862526707320302
Energy: 0.8059551027191953
Energy: 0.7862526707320302
Energy: 0.8059551027197699
Energy: 0.7862526707320302
Energy: 0.8059551027197699
Energy: 0.7458438840748668
Energy: 0.7708225068961615
Energy: 0.7458438840754412
Energy: 0.7708225068961615
Energy: 0.7458438840748668
Energy: 0.7708225068961615

minimum gb energy = 0.6898478932005664 eV
minimum distance =  2.36680388403264 Angstroms
sigma value = 57


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

Energy: 0.8117832966379138
Energy: 0.7019065584850659
Energy: 0.8117832966379138
Energy: 0.7019065584843222
Energy: 0.8117832966371701
Energy: 0.7019065584843222
Energy: 0.7540644907880725
Energy: 0.6811337330005809
Energy: 0.7540644907888161
Energy: 0.6811337330005809
Energy: 0.7540644907888161
Energy: 0.681133732999837
Energy: 0.7654218496413872
Energy: 0.8482468854697007
Energy: 0.765421849642131
Energy: 0.8482468854697007
Energy: 0.7654218496413872
Energy: 0.8482468854682134
Energy: 0.7623222952616586
Energy: 0.7857489156468136
Energy: 0.7623222952609149
Energy: 0.7857489156475573
Energy: 0.7623222952616586
Energy: 0.7857489156483011
Energy: 0.7250524163826626
Energy: 0.7868225447402757
Energy: 0.7250524163826626
Energy: 0.7868225447402757
Energy: 0.7250524163826626
Energy: 0.7868225447402757
Energy: 0.7595689272588878
Energy: 0.7387230583227801
Energy: 0.7595689272559129
Energy: 0.7387230583227801
Energy: 0.7595689272551691
Energy: 0.7387230583227801
Energy: 0.7678142997849571
Energy: 0.8341450216680253
Energy: 0.7678142997857008
Energy: 0.8341450216680253
Energy: 0.7678142997857008
Energy: 0.8341450216680253
Energy: 0.7636203408452902
Energy: 0.688860410630721
Energy: 0.7636203408467775
Energy: 0.688860410630721
Energy: 0.7636203408460338
Energy: 0.6888604106299773
Energy: 0.7328980587322127
Energy: 0.6829852751070362
Energy: 0.7328980587329564
Energy: 0.6829852751070362
Energy: 0.7328980587329564
Energy: 0.6829852751062925
Energy: 0.6637291611652292
Energy: 0.7569058053157585
Energy: 0.6637291611652292
Energy: 0.7569058053157585
Energy: 0.6637291611652292
Energy: 0.7569058053157585
Energy: 0.7677241075444005
Energy: 0.7878771435225232
Energy: 0.7677241075451442
Energy: 0.7878771435225232
Energy: 0.7677241075451442
Energy: 0.7878771435225232
Energy: 0.7282585910235922
Energy: 0.8032832113519514
Energy: 0.7282585910221049
Energy: 0.8032832113526952
Energy: 0.7282585910228485
Energy: 0.803283211350464
Energy: 0.7330353876785007
Energy: 0.6828223259373928
Energy: 0.7330353876755258
Energy: 0.6828223259373928
Energy: 0.7330353876770133
Energy: 0.6828223259381364
Energy: 0.7680873135211419
Energy: 0.6844126890109063
Energy: 0.7680873135092758
Energy: 0.6844126890109063
Energy: 0.768087313506301
Energy: 0.6844126890109063
Energy: 0.7373093832769808
Energy: 0.6822492162136675
Energy: 0.7373093832769808
Energy: 0.6822492162136675
Energy: 0.7373093832777246
Energy: 0.6822492162136675
Energy: 0.7368284825588466
Energy: 0.6854054302300456
Energy: 0.736828482558103
Energy: 0.6854054302307894
Energy: 0.736828482558103
Energy: 0.6854054302300456
Energy: 0.6649412873666203
Energy: 0.7533921317335102
Energy: 0.6649412873651328
Energy: 0.7533921317327664
Energy: 0.664941287367364
Energy: 0.7533921317335102
Energy: 0.7653687879099904
Energy: 0.6682331364065507
Energy: 0.7653687879092467
Energy: 0.6682331364065507
Energy: 0.7653687879122216
Energy: 0.6682331364065507
Energy: 0.6645910768315958
Energy: 0.7534137619024871
Energy: 0.6645910768330833
Energy: 0.7534137619024871
Energy: 0.6645910768330833
Energy: 0.7534137619024871
Energy: 0.7369347796936065
Energy: 0.685577054427918
Energy: 0.7369347796936065
Energy: 0.685577054427918
Energy: 0.7369347796936065
Energy: 0.6855770544286618
Energy: 0.7373295216760674
Energy: 0.6821263226548154
Energy: 0.7373295216760674
Energy: 0.6821263226548154
Energy: 0.7373295216768111
Energy: 0.6821263226548154
Energy: 0.7662854692751369
Energy: 0.7679107828383074
Energy: 0.7662854693435271
Energy: 0.7679107828383074
Energy: 0.7662854693479896
Energy: 0.7679107828383074
Energy: 0.7333314430935325
Energy: 0.6828597726192958
Energy: 0.7333314430913014
Energy: 0.6828597726192958
Energy: 0.7333314430935325
Energy: 0.6828597726192958
Energy: 0.7283043557015312
Energy: 0.8032189389969736
Energy: 0.7283043557022748
Energy: 0.8032189389939988
Energy: 0.7283043557015312
Energy: 0.8032189389954861

minimum gb energy = 0.6637291611652292 eV
minimum distance =  2.38532273585692 Angstroms
sigma value = 17


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

Energy: 0.7733782333610804
Energy: 0.6947452772313139
Energy: 0.7733782333610804
Energy: 0.6947452772313139
Energy: 0.7733782333610804
Energy: 0.6947452772313139
Energy: 0.6740581378812874
Energy: 0.6661922388932815
Energy: 0.6740581378812874
Energy: 0.6661922388932815
Energy: 0.6740581378812874
Energy: 0.6661922388932815
Energy: 0.8043671950630953
Energy: 0.7940642187465725
Energy: 0.8043671950630953
Energy: 0.7940642187465725
Energy: 0.8043671950630953
Energy: 0.7940642187476242
Energy: 0.6465666224076058
Energy: 0.7704067109443694
Energy: 0.6465666224076058
Energy: 0.7704067109433176
Energy: 0.6465666224076058
Energy: 0.7704067109454212
Energy: 0.7135432685932795
Energy: 0.7404999647557376
Energy: 0.7135432685953832
Energy: 0.7404999647557376
Energy: 0.7135432685943315
Energy: 0.7404999647567894
Energy: 0.7052384173337941
Energy: 0.763990576873401
Energy: 0.7052384173348459
Energy: 0.763990576873401
Energy: 0.7052384173337941
Energy: 0.763990576873401
Energy: 0.7276489419280918
Energy: 0.6639746730706624
Energy: 0.7276489419280918
Energy: 0.6639746730706624
Energy: 0.7276489419280918
Energy: 0.6639746730706624
Energy: 0.6476735522923633
Energy: 0.755167228885063
Energy: 0.6476735522913115
Energy: 0.755167228885063
Energy: 0.6476735522923633
Energy: 0.755167228885063
Energy: 0.7406527135637515
Energy: 0.6664432947327152
Energy: 0.7406527135637515
Energy: 0.666443294733767
Energy: 0.7406527135637515
Energy: 0.666443294733767
Energy: 0.7155147628265803
Energy: 0.6705893988885013
Energy: 0.7155147628265803
Energy: 0.6705893988885013
Energy: 0.7155147628265803
Energy: 0.6705893988885013
Energy: 0.7055579412946538
Energy: 0.6801894895276867
Energy: 0.7055579412957057
Energy: 0.6801894895266348
Energy: 0.7055579412957057
Energy: 0.6801894895276867
Energy: 0.7054995317502442
Energy: 0.6667060795793712
Energy: 0.7054995317502442
Energy: 0.6667060795793712
Energy: 0.7054995317502442
Energy: 0.6667060795793712
Energy: 0.6255251874767611
Energy: 0.766738825911993
Energy: 0.6255251874767611
Energy: 0.766738825911993
Energy: 0.6255251874767611
Energy: 0.766738825911993
Energy: 0.7156799949827767
Energy: 0.7495971197069534
Energy: 0.7156799949827767
Energy: 0.7495971197080051
Energy: 0.7156799949817249
Energy: 0.7495971197069534
Energy: 0.7052326829556126
Energy: 0.6533535021642934
Energy: 0.7052326829566643
Energy: 0.6533535021642934
Energy: 0.7052326829566643
Energy: 0.6533535021642934
Energy: 0.7050306122822465
Energy: 0.7688041215834616
Energy: 0.7050306122822465
Energy: 0.7688041215824098
Energy: 0.7050306122811947
Energy: 0.7688041215834616
Energy: 0.7139558468229266
Energy: 0.7488538135436817
Energy: 0.7139558468218747
Energy: 0.7488538135436817
Energy: 0.7139558468218747
Energy: 0.7488538135436817

minimum gb energy = 0.6255251874767611 eV
minimum distance =  2.34338120069781 Angstroms
sigma value = 17


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

Energy: 0.7041253427676376
Energy: 0.6306527725338007
Energy: 0.7041253427664191
Energy: 0.6306527725333945
Energy: 0.7041253427660131
Energy: 0.6306527725338007
Energy: 0.638452660784002
Energy: 0.6096838951025048
Energy: 0.6384526607848143
Energy: 0.6096838951025048
Energy: 0.6384526607872514
Energy: 0.6096838951020986
Energy: 0.7048703622818668
Energy: 0.6693155212781038
Energy: 0.7048703622834914
Energy: 0.6693155212781038
Energy: 0.704870362282273
Energy: 0.6693155212785099
Energy: 0.5921336523495784
Energy: 0.6627734150447774
Energy: 0.5921336523483599
Energy: 0.662773415045996
Energy: 0.592133652348766
Energy: 0.662773415045996
Energy: 0.639934088015828
Energy: 0.6101245803598554
Energy: 0.6399340880146094
Energy: 0.6101245803598554
Energy: 0.6399340880170465
Energy: 0.6101245803594493
Energy: 0.6711515983056261
Energy: 0.6460055704933715
Energy: 0.6711515983048139
Energy: 0.6460055704933715
Energy: 0.6711515983040015
Energy: 0.6460055704921531
Energy: 0.6422838247909144
Energy: 0.6404486507081715
Energy: 0.6422838247892898
Energy: 0.6404486507085777
Energy: 0.6422838247909144
Energy: 0.6404486507085777
Energy: 0.6504496214787024
Energy: 0.7142585832984606
Energy: 0.6504496214758962
Energy: 0.7142585832972421
Energy: 0.6504496214782963
Energy: 0.7142585832980545
Energy: 0.6577322615516589
Energy: 0.6776087892291678
Energy: 0.657732261552065
Energy: 0.6776087892291678
Energy: 0.6577322615516589
Energy: 0.6776087892295739
Energy: 0.6411360226371541
Energy: 0.5780895210729367
Energy: 0.6411360226355294
Energy: 0.5780895210729367
Energy: 0.6411360226359355
Energy: 0.5780895210729367
Energy: 0.5909252280321639
Energy: 0.7863289947151356
Energy: 0.5909252280321639
Energy: 0.7863289947151356
Energy: 0.5909252280325701
Energy: 0.7863289947155419
Energy: 0.7080969685555607
Energy: 0.627658477183705
Energy: 0.7080969685547484
Energy: 0.627658477183705
Energy: 0.7080969685551545
Energy: 0.6276584771832989
Energy: 0.6544096497970446
Energy: 0.6268479908002164
Energy: 0.6544096497954199
Energy: 0.6268479908002164
Energy: 0.6544096497966384
Energy: 0.6268479907998101
Energy: 0.6453553340781618
Energy: 0.6355888397883003
Energy: 0.6453553340781618
Energy: 0.6355888397874879
Energy: 0.6453553340777557
Energy: 0.6355888397870817
Energy: 0.6735349489303365
Energy: 0.627773206068566
Energy: 0.673534948931555
Energy: 0.6277732060701907
Energy: 0.6735349489303365
Energy: 0.6277732060681598
Energy: 0.5907940174615333
Energy: 0.7002540598714136
Energy: 0.5907940174603147
Energy: 0.667774152226409
Energy: 0.5907940174615333
Energy: 0.667774152226409
Energy: 0.6546476382868631
Energy: 0.6620617067385611
Energy: 0.6546476382876755
Energy: 0.6620617067385611
Energy: 0.6546476382868631
Energy: 0.6620617067385611
Energy: 0.676658949188765
Energy: 0.667119098302571
Energy: 0.6766589491920143
Energy: 0.6671190983037896
Energy: 0.6766589491916081
Energy: 0.6671190983037896
Energy: 0.6509355030646944
Energy: 0.6693175742995325
Energy: 0.6509355030634759
Energy: 0.6693175742999387
Energy: 0.6509355030634759
Energy: 0.6693175742999387
Energy: 0.6540012796938924
Energy: 0.6377676725205831
Energy: 0.654001279692674
Energy: 0.6377676725205831
Energy: 0.654001279692674
Energy: 0.6377676725209893
Energy: 0.650911412684306
Energy: 0.6693414687974724
Energy: 0.6509114126798381
Energy: 0.6693414687970662
Energy: 0.650911412679432
Energy: 0.6693414687974724
Energy: 0.6767135308808817
Energy: 0.6668184123039973
Energy: 0.6767135308804755
Energy: 0.6668184123072467
Energy: 0.6767135308824694
Energy: 0.6668184123064343
Energy: 0.6543655392702675
Energy: 0.661941684925381
Energy: 0.6543655392686428
Energy: 0.6619416849249747
Energy: 0.6543655392682366
Energy: 0.6619416849249747
Energy: 0.5910503340526154
Energy: 0.7155956369645181
Energy: 0.5910503340493661
Energy: 0.7155956369637058
Energy: 0.5910503340526154
Energy: 0.7155956369641119
Energy: 0.6731638253126963
Energy: 0.6278479885376784
Energy: 0.6731638253098531
Energy: 0.6278479885384908
Energy: 0.6731638253114779
Energy: 0.6278479885405217
Energy: 0.6452812150218112
Energy: 0.6316461533499407
Energy: 0.6452812150226236
Energy: 0.6316461533495346
Energy: 0.6452812150201865
Energy: 0.6316461533499407
Energy: 0.6544803322585098
Energy: 0.6268308312118924
Energy: 0.6544803322597283
Energy: 0.6268308312127048
Energy: 0.6544803322597283
Energy: 0.6268308312118924
Energy: 0.708066185412997
Energy: 0.6275551834645903
Energy: 0.7080661854125908
Energy: 0.6275551834649964
Energy: 0.7080661854121847
Energy: 0.6275551834641842
Energy: 0.5909288593438998
Energy: 0.7860555397097186
Energy: 0.5909288593434937
Energy: 0.7860555397093124
Energy: 0.5909288593443061
Energy: 0.7860555397097186
Energy: 0.6407610983831422
Energy: 0.6733041263973095
Energy: 0.6407610983835484
Energy: 0.6733041263973095
Energy: 0.6407610983831422
Energy: 0.6733041263973095
Energy: 0.6577679644057427
Energy: 0.6775731109723867
Energy: 0.6577679644012748
Energy: 0.6775731109727928
Energy: 0.6577679644057427
Energy: 0.6775731109723867
Energy: 0.650457218493821
Energy: 0.7144170476955533
Energy: 0.6504572184946332
Energy: 0.7144170476959594
Energy: 0.6504572184958518
Energy: 0.714417047697178
Energy: 0.6419879716337862
Energy: 0.6408967515347761
Energy: 0.6419879716350047
Energy: 0.64089675153437
Energy: 0.6419879716350047
Energy: 0.6408967515364008
Energy: 0.6709418525659865
Energy: 0.6248679028559122
Energy: 0.6709418525680173
Energy: 0.624867902855506
Energy: 0.6709418525667987
Energy: 0.6248679028559122
Energy: 0.6412188951152514
Energy: 0.6100974374839377
Energy: 0.6412188951213441
Energy: 0.6100974374819069
Energy: 0.6412188951205318
Energy: 0.610097437484344
Energy: 0.5919179340747377
Energy: 0.6627114959754687
Energy: 0.59191793407555
Energy: 0.6627114959754687
Energy: 0.5919179340763624
Energy: 0.6627114959746564
Energy: 0.7050664978994285
Energy: 0.6693805703050051
Energy: 0.7050664978986162
Energy: 0.6693805703054112
Energy: 0.7050664978982101
Energy: 0.6693805703054112
Energy: 0.6420262725820235
Energy: 0.6164652381058169
Energy: 0.6420262725771494
Energy: 0.6164652381058169
Energy: 0.6420262725771494
Energy: 0.6164652381058169
Energy: 0.7041253427652008
Energy: 0.630652772529739
Energy: 0.7041253427647945
Energy: 0.6306527725293327
Energy: 0.7041253427652008
Energy: 0.6306527725293327
Energy: 0.6384526607844081
Energy: 0.6096838951004739
Energy: 0.6384526607823773
Energy: 0.6096838951004739
Energy: 0.6384526607848143
Energy: 0.6096838951008802
Energy: 0.7048703622843038
Energy: 0.6693155212785099
Energy: 0.7048703622851161
Energy: 0.6693155212785099
Energy: 0.7048703622834914
Energy: 0.6693155212789161
Energy: 0.5921336523475474
Energy: 0.6881993246739254
Energy: 0.5921336523467351
Energy: 0.6881993246739254
Energy: 0.5921336523479537
Energy: 0.6881993246743315
Energy: 0.6399340880121724
Energy: 0.6101245803626987
Energy: 0.639934088015828
Energy: 0.6101245803626987
Energy: 0.6399340880162342
Energy: 0.6101245803631048

minimum gb energy = 0.5780895210729367 eV
minimum distance =  2.37647795952052 Angstroms
sigma value = 57


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

Energy: 0.6474455296899203
Energy: 0.5853488671323366
Energy: 0.6474455296905817
Energy: 0.5853488671323366
Energy: 0.6474455296885976
Energy: 0.5853488671323366
Energy: 0.6860801424219133
Energy: 0.5768431404022345
Energy: 0.6860801424212519
Energy: 0.5768431404022345
Energy: 0.6860801424205907
Energy: 0.5768431404022345
Energy: 0.6259574096861743
Energy: 0.6237884846632187
Energy: 0.625957409683529
Energy: 0.6237884846632187
Energy: 0.6259574096855129
Energy: 0.6237884846632187
Energy: 0.5599729668531317
Energy: 0.6388714700194691
Energy: 0.5599729668524703
Energy: 0.6388714700207918
Energy: 0.5599729668511476
Energy: 0.6388714700194691
Energy: 0.5847563818741875
Energy: 0.5400092830002552
Energy: 0.5847563818741875
Energy: 0.5400092829995939
Energy: 0.5847563818735262
Energy: 0.5400092829995939
Energy: 0.6354102624699228
Energy: 0.5766080021641191
Energy: 0.6354102624699228
Energy: 0.5766080021634578
Energy: 0.6354102624705841
Energy: 0.5766080021634578
Energy: 0.5552052732366947
Energy: 0.6177870213769964
Energy: 0.55520527323934
Energy: 0.6177870213789806
Energy: 0.55520527323934
Energy: 0.6177870213796418
Energy: 0.7499920614971002
Energy: 0.6015742697705854
Energy: 0.7499920614957775
Energy: 0.6015742697725693
Energy: 0.7499920614984229
Energy: 0.6015742697712467
Energy: 0.5808775250033392
Energy: 0.577976163819306
Energy: 0.5808775250033392
Energy: 0.577976163819306
Energy: 0.5808775250033392
Energy: 0.577976163819306
Energy: 0.5908450705104663
Energy: 0.5922459681266935
Energy: 0.5908450705091436
Energy: 0.5922459681266935
Energy: 0.5908450705111276
Energy: 0.5922459681273549
Energy: 0.5486064080207147
Energy: 0.6671095881694107
Energy: 0.5486064080226987
Energy: 0.6671095881687494
Energy: 0.5486064080207147
Energy: 0.6671095881667654
Energy: 0.6058622199721034
Energy: 0.5539895446719022
Energy: 0.6058622199727648
Energy: 0.5539895446719022
Energy: 0.6058622199714421
Energy: 0.5539895446719022
Energy: 0.5887704908910077
Energy: 0.6271279745266078
Energy: 0.5887704908883623
Energy: 0.6271279745259465
Energy: 0.5887704908923304
Energy: 0.6271279745266078
Energy: 0.5576780020539415
Energy: 0.6868506506911497
Energy: 0.5576780020526186
Energy: 0.6868506506911497
Energy: 0.5576780020532801
Energy: 0.686850650689827
Energy: 0.6523405348494192
Energy: 0.5876875360255026
Energy: 0.6523405348514032
Energy: 0.5876875360255026
Energy: 0.6523405348514032
Energy: 0.5876875360268252
Energy: 0.5882785312538854
Energy: 0.5846703676228373
Energy: 0.588278531255208
Energy: 0.5846703676228373
Energy: 0.588278531255208
Energy: 0.5846703676228373
Energy: 0.6078724816337993
Energy: 0.6637272662245922
Energy: 0.6078724816337993
Energy: 0.6637272662252536
Energy: 0.6078724816344606
Energy: 0.6637272662245922
Energy: 0.6245169082299372
Energy: 0.6404815303382174
Energy: 0.6245169082312598
Energy: 0.6404815303368948
Energy: 0.6245169082299372
Energy: 0.6404815303362335
Energy: 0.5674622043596108
Energy: 0.6942024006159438
Energy: 0.5674622043589495
Energy: 0.6942024006159438
Energy: 0.5674622043589495
Energy: 0.6942024006166052
Energy: 0.5600576650258529
Energy: 0.6330188010934529
Energy: 0.5600576650271755
Energy: 0.6330188010934529
Energy: 0.5600576650251915
Energy: 0.6330188010934529
Energy: 0.6205431982576124
Energy: 0.6178368730410958
Energy: 0.6205431982576124
Energy: 0.6178368730384505
Energy: 0.6205431982595963
Energy: 0.6178368730384505
Energy: 0.5475332941671727
Energy: 0.6992700588252774
Energy: 0.5475332941704794
Energy: 0.6992700588252774
Energy: 0.5475332941691566
Energy: 0.6992700588252774
Energy: 0.6063593069501202
Energy: 0.6056885067714088
Energy: 0.6063593069507816
Energy: 0.6056885067720702
Energy: 0.6063593069494588
Energy: 0.6056885067714088
Energy: 0.6092828975512676
Energy: 0.6977793455286936
Energy: 0.6092828975506064
Energy: 0.6977793455267095
Energy: 0.6092828975512676
Energy: 0.6977793455260481
Energy: 0.5995493981162332
Energy: 0.7455856293887044
Energy: 0.5995493981162332
Energy: 0.7455856293887044
Energy: 0.5995493981129265
Energy: 0.7455856293887044
Energy: 0.587994207987053
Energy: 0.604793898094489
Energy: 0.5879942079877144
Energy: 0.604793898094489
Energy: 0.5879942079877144
Energy: 0.604793898094489
Energy: 0.5573055666260689
Energy: 0.6946689873541531
Energy: 0.5573055666280529
Energy: 0.6946689873541531
Energy: 0.5573055666260689
Energy: 0.6946689873541531

minimum gb energy = 0.5400092829995939 eV
minimum distance =  2.33335628414346 Angstroms
sigma value = 43


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

Energy: 0.5640585206302027
Energy: 0.5298036989449239
Energy: 0.5640585206306845
Energy: 0.529803698944442
Energy: 0.5640585206297208
Energy: 0.529803698944442
Energy: 0.5787464053715906
Energy: 0.5373620857011052
Energy: 0.5787464053715906
Energy: 0.5373620857015871
Energy: 0.5787464053720724
Energy: 0.5373620857011052
Energy: 0.5994814964540875
Energy: 0.5398202236992312
Energy: 0.5994814964536056
Energy: 0.5398202236987495
Energy: 0.5994814964536056
Energy: 0.5398202236992312
Energy: 0.5385111338059722
Energy: 0.5529181947371761
Energy: 0.5385111338050084
Energy: 0.552918194737658
Energy: 0.5385111338059722
Energy: 0.5529181947381399
Energy: 0.5772710481634826
Energy: 0.5117439834187049
Energy: 0.5772710481663736
Energy: 0.5117439834187049
Energy: 0.5772710481634826
Energy: 0.5117439834187049
Energy: 0.5428826597233961
Energy: 0.520463711884838
Energy: 0.5428826597224323
Energy: 0.5204637118858015
Energy: 0.5428826597233961
Energy: 0.5204637118853198
Energy: 0.49497572450675736
Energy: 0.5373142575184322
Energy: 0.4949757245053118
Energy: 0.537314257519396
Energy: 0.4949757245053118
Energy: 0.537314257519396
Energy: 0.5732576501199795
Energy: 0.5022862568751328
Energy: 0.5732576501194978
Energy: 0.5022862568756146
Energy: 0.5732576501194978
Energy: 0.5022862568756146
Energy: 0.5203437117479706
Energy: 0.5131037032080612
Energy: 0.5203437117484524
Energy: 0.5131037032075794
Energy: 0.5203437117484524
Energy: 0.5131037032075794
Energy: 0.5806450048748195
Energy: 0.5113909111552989
Energy: 0.5806450048738557
Energy: 0.5113909111543352
Energy: 0.5806450048757833
Energy: 0.5113909111466254
Energy: 0.6263258102437549
Energy: 0.5614777596507363
Energy: 0.6263258102432729
Energy: 0.5614777596507363
Energy: 0.6263258102437549
Energy: 0.5614777596502544
Energy: 0.4942652046320106
Energy: 0.5145703133040009
Energy: 0.49426520463104695
Energy: 0.514570313303519
Energy: 0.4942652046315289
Energy: 0.5145703133040009
Energy: 0.5793450426296816
Energy: 0.4921793659865303
Energy: 0.5793450426296816
Energy: 0.4921793659865303
Energy: 0.5793450426301634
Energy: 0.4921793659865303
Energy: 0.6242284731697418
Energy: 0.6191218414603552
Energy: 0.6242284731702238
Energy: 0.6191218414603552
Energy: 0.6242284731697418
Energy: 0.6191218414603552
Energy: 0.5113117421091703
Energy: 0.5146692959418884
Energy: 0.5113117421101341
Energy: 0.5146692959428522
Energy: 0.5113117421091703
Energy: 0.5146692959428522
Energy: 0.5448915236217653
Energy: 0.5395823993440401
Energy: 0.5448915236212833
Energy: 0.5395823993435581
Energy: 0.5448915236212833
Energy: 0.5395823993445218
Energy: 0.5265901908471229
Energy: 0.6171255236253348
Energy: 0.5265901908451954
Energy: 0.6171255236253348
Energy: 0.5265901908461592
Energy: 0.6171255236253348
Energy: 0.5290873667360771
Energy: 0.514383312141485
Energy: 0.5290873667355954
Energy: 0.5143833121424486
Energy: 0.5290873667355954
Energy: 0.514383312141485
Energy: 0.49488626561153254
Energy: 0.5695334381329542
Energy: 0.49488626561153254
Energy: 0.5695334381324724
Energy: 0.49488626561153254
Energy: 0.5695334381324724
Energy: 0.5432133524447251
Energy: 0.5627499806553996
Energy: 0.5432133524447251
Energy: 0.5627499806553996
Energy: 0.543213352445207
Energy: 0.5627499806558816
Energy: 0.5665334720375269
Energy: 0.5262040661997782
Energy: 0.5665334720365632
Energy: 0.52620406620026
Energy: 0.5665334720365632
Energy: 0.5262040661992963
Energy: 0.5380449987694148
Energy: 0.5735120170065126
Energy: 0.5380449987703786
Energy: 0.5735120170069943
Energy: 0.5380449987703786
Energy: 0.5735120170065126
Energy: 0.5419501888974502
Energy: 0.5729674640557256
Energy: 0.5419501888974502
Energy: 0.5729674640557256
Energy: 0.5419501888974502
Energy: 0.5729674640557256
Energy: 0.5987062923761216
Energy: 0.5242493016784362
Energy: 0.5987062923761216
Energy: 0.5242493016779542
Energy: 0.5987062923770853
Energy: 0.5242493016779542
Energy: 0.49478930904468815
Energy: 0.5614808891709973
Energy: 0.49478930904420626
Energy: 0.5614808891700336
Energy: 0.49478930904468815
Energy: 0.5614808891695519
Energy: 0.5071951953562428
Energy: 0.5512792041961568
Energy: 0.5071951953562428
Energy: 0.551279204195675
Energy: 0.5071951953562428
Energy: 0.551279204195675
Energy: 0.5413346925656364
Energy: 0.5072429129361612
Energy: 0.5413346925651545
Energy: 0.5072429129361612
Energy: 0.5413346925651545
Energy: 0.5072429129366429
Energy: 0.4886346076722704
Energy: 0.5579439272605197
Energy: 0.4886346076722704
Energy: 0.5579439272605197
Energy: 0.4886346076727523
Energy: 0.5579439272600377
Energy: 0.5074001623697971
Energy: 0.5186239727848125
Energy: 0.5074001623693152
Energy: 0.5186239727848125
Energy: 0.5074001623697971
Energy: 0.5186239727848125
Energy: 0.5071278771678004
Energy: 0.5579247940582881
Energy: 0.5071278771678004
Energy: 0.55792479405877
Energy: 0.5071278771668367
Energy: 0.5579247940573245
Energy: 0.5008552416485095
Energy: 0.5605940189455384
Energy: 0.5008552416480275
Energy: 0.5605940189450566
Energy: 0.5008552416485095
Energy: 0.5605940189450566
Energy: 0.5076590779765432
Energy: 0.5003004367815821
Energy: 0.507659077977025
Energy: 0.5003004367815821
Energy: 0.5076590779765432
Energy: 0.5003004367820639
Energy: 0.49144666477022997
Energy: 0.560650592799146
Energy: 0.49144666477022997
Energy: 0.5606505927986641
Energy: 0.49144666477215737
Energy: 0.5606505927986641
Energy: 0.6269183628202696
Energy: 0.5611120202166154
Energy: 0.6269183628197877
Energy: 0.5611120202166154
Energy: 0.6269183628197877
Energy: 0.5611120202166154
Energy: 0.5283479655820114
Energy: 0.4865289931176404
Energy: 0.5283479655824933
Energy: 0.4865289931176404
Energy: 0.5283479655824933
Energy: 0.4865289931176404
Energy: 0.4556310536935329
Energy: 0.559226456529009
Energy: 0.4556310536949784
Energy: 0.559226456529491
Energy: 0.4556310536935329
Energy: 0.559226456529009

minimum gb energy = 0.4556310536935329 eV
minimum distance =  2.32577315534452 Angstroms
sigma value = 81


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

Energy: 0.0365234088528509
Energy: 0.06640136454556683
Energy: 0.0365234088528509
Energy: 0.06640136454379637
Energy: 0.0365234088528509
Energy: 0.06640136454379637
Energy: 0.41737917851586087
Energy: 0.03809588238610529
Energy: 0.41737917851586087
Energy: 0.0380958823896462
Energy: 0.41737917851586087
Energy: 0.03809588238610529
Energy: 0.4173696983645213
Energy: 0.03762774962126236
Energy: 0.4173696983645213
Energy: 0.037627749623032815
Energy: 0.4173696983645213
Energy: 0.03762774961949191
Energy: 0.0365234088528509
Energy: 0.06640136454733728
Energy: 0.0365234088528509
Energy: 0.06640136454733728
Energy: 0.0365234088528509
Energy: 0.06640136454556683
Energy: 0.41737917851586087
Energy: 0.03809588238433483
Energy: 0.41737917851586087
Energy: 0.03809588238610529
Energy: 0.41737917851586087
Energy: 0.03809588238787574
Energy: 0.4173696983645213
Energy: 0.037627749626573725
Energy: 0.4173696983645213
Energy: 0.037627749626573725
Energy: 0.4173696983645213
Energy: 0.037627749623032815
Energy: 0.0365234088528509
Energy: 0.06640136454556683
Energy: 0.0365234088528509
Energy: 0.06640136454733728
Energy: 0.0365234088528509
Energy: 0.06640136454556683
Energy: 0.41737917851586087
Energy: 0.03809588238787574
Energy: 0.4173791785176314
Energy: 0.03809588238610529
Energy: 0.4173791785176314
Energy: 0.03809588238610529
Energy: 0.4173696983645213
Energy: 0.03762774961772145
Energy: 0.4173696983645213
Energy: 0.037627749615950994
Energy: 0.4173696983645213
Energy: 0.03762774961772145
Energy: 0.0365234088528509
Energy: 0.06640136454556683
Energy: 0.0365234088528509
Energy: 0.06640136454556683
Energy: 0.0365234088528509
Energy: 0.06640136454379637

minimum gb energy = 0.0365234088528509 eV
minimum distance =  2.5315427925859 Angstroms
sigma value = 3


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

Energy: 0.5437749971747771
Energy: 0.49023776497041655
Energy: 0.543774997175307
Energy: 0.49023776497041655
Energy: 0.5437749971747771
Energy: 0.49023776497041655
Energy: 0.476296934470069
Energy: 0.47796886114614856
Energy: 0.47629693446953913
Energy: 0.4779688611466783
Energy: 0.476296934470069
Energy: 0.47796886114614856
Energy: 0.5258648900865275
Energy: 0.48673568344862467
Energy: 0.489870875799305
Energy: 0.48673568344809487
Energy: 0.48987087579983474
Energy: 0.48673568344862467
Energy: 0.48739760433278273
Energy: 0.470285305842538
Energy: 0.487397604332253
Energy: 0.470285305842538
Energy: 0.487397604332253
Energy: 0.470285305842538
Energy: 0.418486715169567
Energy: 0.4921003994771755
Energy: 0.4184867151690371
Energy: 0.49210039947558604
Energy: 0.4184867151690371
Energy: 0.4921003994771755
Energy: 0.49225603103425647
Energy: 0.4922817328763811
Energy: 0.49225603103372667
Energy: 0.4922817328763811
Energy: 0.4922560310347862
Energy: 0.4922817328763811
Energy: 0.486504943732731
Energy: 0.4769567672782773
Energy: 0.486504943732731
Energy: 0.4769567672782773
Energy: 0.486504943732731
Energy: 0.47695676727774744
Energy: 0.4153571595877222
Energy: 0.48180826104070384
Energy: 0.4153571595871923
Energy: 0.48180826104070384
Energy: 0.4153571595871923
Energy: 0.48180826104017405
Energy: 0.5000567090780956
Energy: 0.4959412891705875
Energy: 0.5000567090780956
Energy: 0.4959412891705875
Energy: 0.5000567090775658
Energy: 0.4959412891705875
Energy: 0.48661521175837363
Energy: 0.4454599530332728
Energy: 0.486615211757314
Energy: 0.4454599530332728
Energy: 0.4866152117589035
Energy: 0.4454599530332728
Energy: 0.4425766342110126
Energy: 0.48196551949464866
Energy: 0.44257663421207216
Energy: 0.4819655194941188
Energy: 0.44257663421154236
Energy: 0.48196551949464866
Energy: 0.5127201687356715
Energy: 0.518693856784573
Energy: 0.5127201687356715
Energy: 0.518693856784573
Energy: 0.5127201687356715
Energy: 0.518693856784573
Energy: 0.48994054918618973
Energy: 0.42178019413177253
Energy: 0.48994054918618973
Energy: 0.42178019413177253
Energy: 0.48994054918618973
Energy: 0.42178019413177253
Energy: 0.4628484829897092
Energy: 0.5073998430111696
Energy: 0.4628484829891794
Energy: 0.5073998430111696
Energy: 0.4628484829891794
Energy: 0.5073998430106398
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Energy: 0.5038952704968926
Energy: 0.49013866475867923
Energy: 0.5038952704974223
Energy: 0.49013866475814943
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Energy: 0.49359950797615665
Energy: 0.4169363226854069
Energy: 0.49359950797615665
Energy: 0.4169363226854069
Energy: 0.49359950797615665
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Energy: 0.522358919413821
Energy: 0.4868465794678871
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Energy: 0.4948896556409722
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Energy: 0.49421852386177256
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Energy: 0.49421852386230236
Energy: 0.46614030113524746
Energy: 0.49421852386177256
Energy: 0.46614030113524746
Energy: 0.4764173818594523
Energy: 0.5588782181811697
Energy: 0.4764173818594523
Energy: 0.5588782181816995
Energy: 0.4764173818594523
Energy: 0.5588782181816995
Energy: 0.5131494018906863
Energy: 0.47986995895349066
Energy: 0.5131494018890966
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Energy: 0.5131494018901563
Energy: 0.4798699589540204
Energy: 0.48502023884012013
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Energy: 0.4850202388411798
Energy: 0.4729955794740019
Energy: 0.48502023884012013
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Energy: 0.487181728380118
Energy: 0.4833794487659315
Energy: 0.4871817283806478
Energy: 0.4833794487659315
Energy: 0.4871817283811776
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Energy: 0.49485351759588486
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Energy: 0.4918207960598472
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Energy: 0.4962461153050092
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Energy: 0.4962461153050092
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Energy: 0.5475717166346539
Energy: 0.4167017984384975
Energy: 0.5475717166351838
Energy: 0.4167017984384975
Energy: 0.5475717166351838
Energy: 0.4167017984379676
Energy: 0.4909223877717691
Energy: 0.5035795792057853
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Energy: 0.5035795792052554
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Energy: 0.4638922259221855
Energy: 0.48945244200604
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Energy: 0.48945244200551014
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Energy: 0.5478469379739324
Energy: 0.4456740586587336
Energy: 0.5478469379744622
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Energy: 0.5478469379744622
Energy: 0.44567405865820375
Energy: 0.49789524713093863
Energy: 0.5002428061123276
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Energy: 0.4901103387680446
Energy: 0.44286550334515434
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Energy: 0.44286550334462454
Energy: 0.4901103387680446
Energy: 0.5012748400662269
Energy: 0.4871274990141345
Energy: 0.501274840065697
Energy: 0.48712749901519414
Energy: 0.5012748400662269
Energy: 0.48712749901519414

minimum gb energy = 0.4153571595871923 eV
minimum distance =  2.37722862533196 Angstroms
sigma value = 67


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

Energy: 0.6571768991264836
Energy: 0.5999856904010602
Energy: 0.6571768991272384
Energy: 0.5999856904003054
Energy: 0.6571768991257287
Energy: 0.5999856904010602
Energy: 0.5969840060268522
Energy: 0.603785709173536
Energy: 0.5969840060260972
Energy: 0.603785709173536
Energy: 0.5969840060268522
Energy: 0.603785709173536
Energy: 0.6252466452817192
Energy: 0.6216139126757734
Energy: 0.6252466452824741
Energy: 0.6216139126757734
Energy: 0.6252466452817192
Energy: 0.6216139126757734
Energy: 0.6363798745335673
Energy: 0.5989758684373268
Energy: 0.6363798745343222
Energy: 0.5989758684373268
Energy: 0.6363798745328123
Energy: 0.5989758684373268
Energy: 0.5366950838000419
Energy: 0.5817958533228799
Energy: 0.5366950838000419
Energy: 0.5817958533236347
Energy: 0.5366950838000419
Energy: 0.5817958533236347
Energy: 0.6261757894310925
Energy: 0.6176545102176098
Energy: 0.6261757894303376
Energy: 0.6176545102176098
Energy: 0.6261757894310925
Energy: 0.6176545102176098
Energy: 0.5859283204249627
Energy: 0.5816510937884833
Energy: 0.5859283204249627
Energy: 0.5816510937884833
Energy: 0.585928320424208
Energy: 0.5816510937892383
Energy: 0.5795980712014195
Energy: 0.575663318541768
Energy: 0.5795980712006644
Energy: 0.575663318541768
Energy: 0.5795980712021744
Energy: 0.575663318541768
Energy: 0.6436431632879207
Energy: 0.6527612560724613
Energy: 0.6436431632894306
Energy: 0.6527612560717062
Energy: 0.6436431632894306
Energy: 0.6527612560717062
Energy: 0.6097784039677587
Energy: 0.5480507635132912
Energy: 0.6097784039685137
Energy: 0.5480507635125363
Energy: 0.6097784039685137
Energy: 0.5480507635132912
Energy: 0.6051941406593859
Energy: 0.6229859731363887
Energy: 0.6051941406608959
Energy: 0.6229859731356338
Energy: 0.6051941406601409
Energy: 0.6229859731356338
Energy: 0.5900085605938661
Energy: 0.6194969520567049
Energy: 0.590008560594621
Energy: 0.6194969520567049
Energy: 0.590008560594621
Energy: 0.6194969520567049
Energy: 0.6093468592094226
Energy: 0.5883736177580402
Energy: 0.6093468592094226
Energy: 0.5883736177580402
Energy: 0.6093468592094226
Energy: 0.5883736177572852
Energy: 0.5945797772722118
Energy: 0.6217560783909684
Energy: 0.5945797772729667
Energy: 0.6217560783909684
Energy: 0.5945797772737217
Energy: 0.6217560783902135
Energy: 0.597199185263793
Energy: 0.5926034133672562
Energy: 0.5971991852622832
Energy: 0.5926034133672562
Energy: 0.597199185263793
Energy: 0.5926034133672562
Energy: 0.6329281175952816
Energy: 0.6018695116084368
Energy: 0.6329281175952816
Energy: 0.601869511607682
Energy: 0.6329281175952816
Energy: 0.6018695116084368
Energy: 0.615076873383416
Energy: 0.6272391497870285
Energy: 0.6150768733841709
Energy: 0.6272391497870285
Energy: 0.6150768733841709
Energy: 0.6272391497870285
Energy: 0.6117814492827818
Energy: 0.5817960749956212
Energy: 0.6117814492842918
Energy: 0.5817960749956212
Energy: 0.6117814492842918
Energy: 0.5817960749956212
Energy: 0.6199741302675431
Energy: 0.6303119305620619
Energy: 0.619974130269053
Energy: 0.6303119305620619
Energy: 0.619974130269053
Energy: 0.6303119305620619
Energy: 0.5396994030195906
Energy: 0.6232061543914462
Energy: 0.5396994030203455
Energy: 0.6232061543914462
Energy: 0.5396994030180806
Energy: 0.6232061543914462
Energy: 0.64534545645436
Energy: 0.5860242538196337
Energy: 0.6453454564551149
Energy: 0.5860242538196337
Energy: 0.64534545645436
Energy: 0.5860242538196337
Energy: 0.6417351876226401
Energy: 0.6552801837165992
Energy: 0.6417351876233951
Energy: 0.6552801837158444
Energy: 0.6417351876218852
Energy: 0.6552801837158444
Energy: 0.5729919397096451
Energy: 0.6226554770943219
Energy: 0.5729919397088903
Energy: 0.6226554770943219
Energy: 0.5729919397096451
Energy: 0.6226554770943219

minimum gb energy = 0.5366950838000419 eV
minimum distance =  2.38821011952181 Angstroms
sigma value = 33


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

Energy: 0.7340441757488311
Energy: 0.668075193859916
Energy: 0.7340441757478733
Energy: 0.668075193859916
Energy: 0.7340441757483521
Energy: 0.6680751938603949
Energy: 0.6701844056047336
Energy: 0.6919845680018907
Energy: 0.6701844056052125
Energy: 0.6919845680023696
Energy: 0.6701844056042546
Energy: 0.6919845680023696
Energy: 0.7099620880635555
Energy: 0.6926627976478341
Energy: 0.7099620880645133
Energy: 0.6926627976478341
Energy: 0.7099620880645133
Energy: 0.6926627976478341
Energy: 0.7100833094522744
Energy: 0.68382925792198
Energy: 0.7100833094522744
Energy: 0.68382925792198
Energy: 0.7100833094522744
Energy: 0.68382925792198
Energy: 0.6788338745202488
Energy: 0.6839455308065523
Energy: 0.6788338745192909
Energy: 0.6839455308065523
Energy: 0.6788338745202488
Energy: 0.6839455308065523
Energy: 0.7508300699999244
Energy: 0.7355424029007297
Energy: 0.7508300699999244
Energy: 0.7226535311970111
Energy: 0.7508300699999244
Energy: 0.7226535311970111
Energy: 0.6723620515195794
Energy: 0.6513510056972075
Energy: 0.6723620515200582
Energy: 0.6513510056967285
Energy: 0.6723620515195794
Energy: 0.6513510056972075
Energy: 0.7064488104799406
Energy: 0.7052349977892158
Energy: 0.7064488104794616
Energy: 0.7052349977892158
Energy: 0.7064488104808985
Energy: 0.7052349977887369
Energy: 0.6859200768250816
Energy: 0.7135288654813314
Energy: 0.6859200768236884
Energy: 0.7135288654813314
Energy: 0.6859200768246027
Energy: 0.7135288654813314
Energy: 0.7263648365983739
Energy: 0.6723974690252376
Energy: 0.7263648365974162
Energy: 0.6723974690257164
Energy: 0.726364836597895
Energy: 0.6723974690252376
Energy: 0.7055311578419747
Energy: 0.6921868911109692
Energy: 0.7055311578424537
Energy: 0.6921868911114482
Energy: 0.7055311578429326
Energy: 0.6921868911109692
Energy: 0.6709243785371108
Energy: 0.6751138868705555
Energy: 0.670924378536632
Energy: 0.6751138868705555
Energy: 0.670924378536632
Energy: 0.6751138868705555
Energy: 0.7277223357400768
Energy: 0.6725700628171657
Energy: 0.727722335739598
Energy: 0.6725700628171657
Energy: 0.727722335739119
Energy: 0.6725700628176446
Energy: 0.6742081909809078
Energy: 0.6956504619963767
Energy: 0.6742081909809078
Energy: 0.6956504619963767
Energy: 0.6742081909809078
Energy: 0.6956504619968557
Energy: 0.6973109238791264
Energy: 0.6843280869570243
Energy: 0.6973109238786475
Energy: 0.6843280869570243
Energy: 0.6973109238791264
Energy: 0.6843280869570243
Energy: 0.709392287534763
Energy: 0.7092787185134125
Energy: 0.7093922875361998
Energy: 0.7092787185129336
Energy: 0.7093922875342841
Energy: 0.7092787185134125
Energy: 0.6279143969741675
Energy: 0.693736821826568
Energy: 0.6279143969727307
Energy: 0.6937368218260892
Energy: 0.6279143969736886
Energy: 0.6937368218260892
Energy: 0.7295802108448605
Energy: 0.7472686650449463
Energy: 0.7295802108443815
Energy: 0.7472686650449463
Energy: 0.7295802108453394
Energy: 0.7472686650444674
Energy: 0.6642578402569991
Energy: 0.7168511114315093
Energy: 0.6642578402584359
Energy: 0.7168511114315093
Energy: 0.664257840257478
Energy: 0.7168511114315093
Energy: 0.673298685748131
Energy: 0.6942884500365019
Energy: 0.6732986857476522
Energy: 0.6942884500365019
Energy: 0.673298685748131
Energy: 0.6942884500365019
Energy: 0.7067840830488469
Energy: 0.709789296421009
Energy: 0.7067840830493258
Energy: 0.709789296421009
Energy: 0.7067840830498047
Energy: 0.709789296421009
Energy: 0.689618366086443
Energy: 0.6611224992237088
Energy: 0.689618366086922
Energy: 0.6611224992241878
Energy: 0.689618366087401
Energy: 0.6611224992241878
Energy: 0.6920253456075539
Energy: 0.6920994312210023
Energy: 0.6920253456061171
Energy: 0.6920994312210023
Energy: 0.6920253456075539
Energy: 0.6920994312210023
Energy: 0.724533794091711
Energy: 0.671090805697846
Energy: 0.72453379409219
Energy: 0.6710908056973671
Energy: 0.72453379409219
Energy: 0.6710908056973671
Energy: 0.6705098024697321
Energy: 0.6706423723918741
Energy: 0.6705098024706899
Energy: 0.6706423723923529
Energy: 0.6705098024692533
Energy: 0.6706423723918741
Energy: 0.6981620098249987
Energy: 0.7050760118813472
Energy: 0.6981620098254775
Energy: 0.7050760118813472
Energy: 0.6981620098259563
Energy: 0.7050760118818261
Energy: 0.671788472000868
Energy: 0.6615149587490562
Energy: 0.6717884719999102
Energy: 0.6615149587490562
Energy: 0.6717884720003892
Energy: 0.6615149587490562
Energy: 0.7099275762445106
Energy: 0.7387844167885662
Energy: 0.7099275762445106
Energy: 0.7387844167880873
Energy: 0.7099275762440317
Energy: 0.738784416789045
Energy: 0.6678501655280287
Energy: 0.6904342686023978
Energy: 0.6678501655270709
Energy: 0.6904342686023978
Energy: 0.6678501655280287
Energy: 0.6904342686023978
Energy: 0.6639689914773981
Energy: 0.6484777318860268
Energy: 0.6639689914773981
Energy: 0.6484777318860268
Energy: 0.6639689914773981
Energy: 0.6484777318865058
Energy: 0.7498928025042751
Energy: 0.7368485718591632
Energy: 0.7498928025047541
Energy: 0.7368485718591632
Energy: 0.7498928025042751
Energy: 0.7368485718591632
Energy: 0.6407967748495716
Energy: 0.6936761879182796
Energy: 0.6407967748519662
Energy: 0.6936761879178006
Energy: 0.6407967748514873
Energy: 0.6936761879182796
Energy: 0.712225126199993
Energy: 0.7073694703989457
Energy: 0.7122251262009508
Energy: 0.7073694703975092
Energy: 0.712225126199993
Energy: 0.707369470398467
Energy: 0.6938608898632181
Energy: 0.6863917750972611
Energy: 0.6938608898632181
Energy: 0.6863917750972611
Energy: 0.6938608898627392
Energy: 0.6863917750967823
Energy: 0.6706285356310742
Energy: 0.6933910225164942
Energy: 0.670628535632032
Energy: 0.6933910225160154
Energy: 0.670628535632032
Energy: 0.6933910225160154
Energy: 0.7227273389336369
Energy: 0.6694834507792041
Energy: 0.7227273389345946
Energy: 0.6694834507796831
Energy: 0.7227273389331581
Energy: 0.6694834507796831
Energy: 0.6726857713143519
Energy: 0.6842152439938348
Energy: 0.6726857713157887
Energy: 0.6842152439933559
Energy: 0.6726857713148309
Energy: 0.6842152439938348

minimum gb energy = 0.6279143969727307 eV
minimum distance =  2.35908967265836 Angstroms
sigma value = 41


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

Energy: 0.8364765638350558
Energy: 0.8058396493647578
Energy: 0.8364765638363634
Energy: 0.8058396493660654
Energy: 0.8364765638363634
Energy: 0.8058396493647578
Energy: 0.7863981732227997
Energy: 0.8032312792737731
Energy: 0.7863981732227997
Energy: 0.8032312792737731
Energy: 0.7863981732227997
Energy: 0.8032312792737731
Energy: 0.9065967690170629
Energy: 0.7996863718724685
Energy: 0.872792810987065
Energy: 0.7996863718724685
Energy: 0.872792810987065
Energy: 0.7996863718724685
Energy: 0.8299879141759695
Energy: 0.8217385071917128
Energy: 0.8299879141759695
Energy: 0.8217385071969431
Energy: 0.8299879141772771
Energy: 0.8217385071930204
Energy: 0.7757015255634666
Energy: 0.7968663859089362
Energy: 0.7757015255647741
Energy: 0.7968663859089362
Energy: 0.7757015255647741
Energy: 0.7968663859089362
Energy: 0.8963177507935025
Energy: 0.8606630387292823
Energy: 0.8963177507935025
Energy: 0.8606630387292823
Energy: 0.8963177507935025
Energy: 0.8606630387292823
Energy: 0.8275322721496868
Energy: 0.7645897813993601
Energy: 0.8275322721496868
Energy: 0.7645897813993601
Energy: 0.8275322721496868
Energy: 0.7645897813993601
Energy: 0.8344896070576128
Energy: 0.8041473346449892
Energy: 0.8344896070589204
Energy: 0.8041473346436816
Energy: 0.8344896070589204
Energy: 0.8041473346449892
Energy: 0.726272975195615
Energy: 0.7863095460470332
Energy: 0.726272975195615
Energy: 0.7863095460470332
Energy: 0.7262729751943074
Energy: 0.7863095460470332
Energy: 0.829946219133798
Energy: 0.8130143566557887
Energy: 0.8299462191324903
Energy: 0.8130143566557887
Energy: 0.829946219133798
Energy: 0.8130143566557887
Energy: 0.7389022475914399
Energy: 0.8002689642376789
Energy: 0.7389022475901322
Energy: 0.8002689642376789
Energy: 0.7389022475901322
Energy: 0.8002689642376789
Energy: 0.7847999337667648
Energy: 0.8034637269515554
Energy: 0.7847999337667648
Energy: 0.8034637269515554
Energy: 0.7847999337667648
Energy: 0.8034637269515554
Energy: 0.7371627685699585
Energy: 0.8385261927037962
Energy: 0.7371627685686509
Energy: 0.8385261927037962
Energy: 0.7371627685699585
Energy: 0.8385261927051039
Energy: 0.7809983358232456
Energy: 0.8042492677645187
Energy: 0.7809983358232456
Energy: 0.8042492677645187
Energy: 0.7809983358232456
Energy: 0.8042492677645187

minimum gb energy = 0.7262729751943074 eV
minimum distance =  2.342037231251 Angstroms
sigma value = 11


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

Energy: 0.9942987343943357
Energy: 0.9517120640821165
Energy: 0.9942987343943357
Energy: 0.9517120640821165
Energy: 0.9942987343943357
Energy: 0.9517120640821165
Energy: 0.8739195311591212
Energy: 0.9074377356556997
Energy: 0.8739195311591212
Energy: 0.9074377356562742
Energy: 0.8739195311596956
Energy: 0.9074377356562742
Energy: 0.9711373406082865
Energy: 0.9152353990941471
Energy: 0.9711373406094351
Energy: 0.9152353990941471
Energy: 0.9290875317475092
Energy: 0.9152353990941471
Energy: 0.9190417242771176
Energy: 0.8741078152017011
Energy: 0.9190417242771176
Energy: 0.8741078152017011
Energy: 0.9190417242765432
Energy: 0.8741078152017011
Energy: 0.9324504147932094
Energy: 0.9035741177358694
Energy: 0.9324504147943584
Energy: 0.9035741177358694
Energy: 0.9324504147955072
Energy: 0.9035741177358694
Energy: 0.9043943109236944
Energy: 0.9413624798685413
Energy: 0.90439431092312
Energy: 0.9413624798685413
Energy: 0.9043943109236944
Energy: 0.9413624798685413
Energy: 0.9159002116670423
Energy: 0.8986325651697556
Energy: 0.9159002116664678
Energy: 0.8986325651697556
Energy: 0.9159002116664678
Energy: 0.8986325651697556
Energy: 0.9084166935809391
Energy: 0.9131163926729451
Energy: 0.9084166935803649
Energy: 0.9131163926729451
Energy: 0.9084166935809391
Energy: 0.9131163926729451
Energy: 0.9245940920732653
Energy: 0.9069389589200443
Energy: 0.9245940920732653
Energy: 0.9069389589200443
Energy: 0.9245940920732653
Energy: 0.9069389589200443
Energy: 0.9083189877626908
Energy: 0.9214427513386103
Energy: 0.9083189877632653
Energy: 0.9214427513386103
Energy: 0.9083189877626908
Energy: 0.9214427513386103
Energy: 0.9040155961241524
Energy: 0.9109830151672469
Energy: 0.9040155961241524
Energy: 0.9109830151672469
Energy: 0.9040155961241524
Energy: 0.9109830151672469
Energy: 0.9215956810064837
Energy: 0.9275084084613957
Energy: 0.9215956810070582
Energy: 0.9275084084608214
Energy: 0.9215956810070582
Energy: 0.9275084084613957
Energy: 0.9229729224343911
Energy: 0.8946836867503302
Energy: 0.9229729224338167
Energy: 0.8946836867509047
Energy: 0.9229729224338167
Energy: 0.8946836867503302
Energy: 0.9148912180882017
Energy: 0.9217365320362315
Energy: 0.9148912180864783
Energy: 0.9217365320356571
Energy: 0.9148912180870529
Energy: 0.9217365320356571
Energy: 0.9015635847266198
Energy: 0.9151802657244406
Energy: 0.9015635847266198
Energy: 0.9151802657244406
Energy: 0.9015635847266198
Energy: 0.9151802657244406
Energy: 0.9168805202862418
Energy: 0.8977816879635212
Energy: 0.916880520286816
Energy: 0.8977816879623726
Energy: 0.916880520286816
Energy: 0.8977816879623726
Energy: 0.8851762851563558
Energy: 0.9136619059625316
Energy: 0.8851762851557815
Energy: 0.9136619059625316
Energy: 0.8851762851557815
Energy: 0.9136619059625316
Energy: 0.945926361111756
Energy: 0.9288640702713988
Energy: 0.9459263611123304
Energy: 0.9288640702702498
Energy: 0.9459263611111817
Energy: 0.9288640702708243
Energy: 0.8956301808122089
Energy: 0.8592322028858843
Energy: 0.8956301808122089
Energy: 0.8592322028858843
Energy: 0.8956301808122089
Energy: 0.8592322028864586
Energy: 0.9052176979682826
Energy: 0.9079363866081306
Energy: 0.905217697967708
Energy: 0.9079363866081306
Energy: 0.9052176979682826
Energy: 0.9079363866081306
Energy: 0.8891418933421442
Energy: 0.8984910505520413
Energy: 0.8891418933415698
Energy: 0.8984910505520413
Energy: 0.8891418933421442
Energy: 0.8984910505520413
Energy: 0.9551802095541854
Energy: 0.9415500827453526
Energy: 0.9551802095541854
Energy: 0.9415500827453526
Energy: 0.9551802095541854
Energy: 0.941550082745927
Energy: 0.9115032204602379
Energy: 0.9151248585718493
Energy: 0.9115032204602379
Energy: 0.9151248585718493
Energy: 0.9115032204608123
Energy: 0.9151248585718493
Energy: 0.9442466020369015
Energy: 0.9138807076046764
Energy: 0.9442466020369015
Energy: 0.9138807076046764
Energy: 0.944246602036327
Energy: 0.9138807076046764
Energy: 0.908858587564311
Energy: 0.907180564871743
Energy: 0.908858587564311
Energy: 0.907180564871743
Energy: 0.9088585875648855
Energy: 0.907180564871743
Energy: 0.8921394037660509
Energy: 0.9069577612647582
Energy: 0.8921394037654767
Energy: 0.9069577612647582
Energy: 0.8921394037660509
Energy: 0.9069577612653327
Energy: 0.8947225828621514
Energy: 0.9500787683402397
Energy: 0.8947225828621514
Energy: 0.9500787683402397
Energy: 0.8947225828627259
Energy: 0.9500787683408141
Energy: 0.9204367126186257
Energy: 0.9016667523509428
Energy: 0.9204367126186257
Energy: 0.9016667523509428
Energy: 0.9204367126192001
Energy: 0.9016667523509428
Energy: 0.9160019103652383
Energy: 0.9237118391627147
Energy: 0.9160019103658127
Energy: 0.9237118391627147
Energy: 0.9160019103658127
Energy: 0.9237118391627147
Energy: 0.9043920683138941
Energy: 0.8665629926339674
Energy: 0.9043920683133196
Energy: 0.8665629926339674
Energy: 0.9043920683133196
Energy: 0.8665629926339674
Energy: 0.9080076083706325
Energy: 0.9512174197676769
Energy: 0.9080076083706325
Energy: 0.9512174197671025
Energy: 0.9080076083706325
Energy: 0.9512174197676769

minimum gb energy = 0.8592322028858843 eV
minimum distance =  2.31914777311251 Angstroms
sigma value = 57


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

Energy: 0.8897580489583581
Energy: 0.8853224057251989
Energy: 0.8897580489583581
Energy: 0.8853224057251989
Energy: 0.8897580489583581
Energy: 0.8853224057251989
Energy: 0.9287157471750551
Energy: 0.8780484685328572
Energy: 0.9287157471750551
Energy: 0.8780484685328572
Energy: 0.9287157471750551
Energy: 0.8780484685328572
Energy: 0.9355998578269696
Energy: 0.9127058971723397
Energy: 0.9355998578269696
Energy: 0.9127058971723397
Energy: 0.9355998578269696
Energy: 0.9127058971723397
Energy: 0.8940623771525218
Energy: 0.8968529645083584
Energy: 0.8940623771525218
Energy: 0.8968529645083584
Energy: 0.8940623771525218
Energy: 0.8968529645083584
Energy: 0.9355790057698921
Energy: 0.912717421662697
Energy: 0.9355790057688699
Energy: 0.912717421662697
Energy: 0.9355790057698921
Energy: 0.9127174216616749
Energy: 0.928461271953147
Energy: 0.8770114545231772
Energy: 0.928461271953147
Energy: 0.8770114545231772
Energy: 0.928461271953147
Energy: 0.8770114545231772
Energy: 0.8897580489614247
Energy: 0.8853224057241766
Energy: 0.8897580489614247
Energy: 0.8853224057241766
Energy: 0.8897580489614247
Energy: 0.8853224057241766
Energy: 0.928715747174033
Energy: 0.8780484685338795
Energy: 0.9287157471730109
Energy: 0.8780484685338795
Energy: 0.928715747174033
Energy: 0.8780484685328572
Energy: 0.9355998578259477
Energy: 0.9127058971713177
Energy: 0.9355998578269696
Energy: 0.9127058971713177
Energy: 0.9355998578279919
Energy: 0.9127058971713177
Energy: 0.8940623771535441
Energy: 0.8580413334414543
Energy: 0.8940623771535441
Energy: 0.8580413334414543
Energy: 0.8940623771535441
Energy: 0.8580413334414543
Energy: 0.9355790057698921
Energy: 0.9127174216647413
Energy: 0.9355790057698921
Energy: 0.9127174216647413
Energy: 0.9355790057678478
Energy: 0.9127174216647413
Energy: 0.928461271953147
Energy: 0.8770114545221549
Energy: 0.928461271953147
Energy: 0.8770114545201105
Energy: 0.928461271953147
Energy: 0.8770114545221549
Energy: 0.8897580489583581
Energy: 0.8853224057251989
Energy: 0.8897580489583581
Energy: 0.8853224057251989
Energy: 0.8897580489583581
Energy: 0.8853224057251989
Energy: 0.9287157471750551
Energy: 0.8780484685328572
Energy: 0.9287157471750551
Energy: 0.8780484685328572
Energy: 0.9287157471750551
Energy: 0.8780484685328572
Energy: 0.9355998578279919
Energy: 0.9127058971723397
Energy: 0.9355998578269696
Energy: 0.9127058971723397
Energy: 0.9355998578269696
Energy: 0.9127058971723397
Energy: 0.8940623771525218
Energy: 0.8580413334434985
Energy: 0.8940623771525218
Energy: 0.8580413334424762
Energy: 0.8940623771525218
Energy: 0.8580413334434985
Energy: 0.9355790057698921
Energy: 0.912717421662697
Energy: 0.9355790057678478
Energy: 0.912717421662697
Energy: 0.9355790057698921
Energy: 0.912717421662697

minimum gb energy = 0.8580413334414543 eV
minimum distance =  2.34020657766516 Angstroms
sigma value = 9


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

Energy: 0.9776071697962253
Energy: 0.9161864094928631
Energy: 0.9776071697962253
Energy: 0.9161864094920286
Energy: 0.9776071697962253
Energy: 0.9161864094920286
Energy: 0.9474053170783263
Energy: 0.9150711191939017
Energy: 0.9474053170783263
Energy: 0.9150711191939017
Energy: 0.9474053170774918
Energy: 0.9150711191939017
Energy: 0.9587946892396636
Energy: 0.9413282403657928
Energy: 0.958794689238829
Energy: 0.9413282403657928
Energy: 0.9587946892404983
Energy: 0.9413282403657928
Energy: 0.923123903181494
Energy: 0.9884089328468134
Energy: 0.9231239031823285
Energy: 0.9884089328468134
Energy: 0.923123903181494
Energy: 0.9884089328468134
Energy: 0.9489421146553914
Energy: 0.9434916283668945
Energy: 0.9489421146553914
Energy: 0.9434916283668945
Energy: 0.9489421146545568
Energy: 0.9434916283668945
Energy: 0.9504951440632627
Energy: 0.945464674668589
Energy: 0.9504951440632627
Energy: 0.945464674668589
Energy: 0.9504951440624281
Energy: 0.945464674668589
Energy: 0.9349248995894722
Energy: 0.9487991175012217
Energy: 0.9349248995903067
Energy: 0.9487991175012217
Energy: 0.9349248995903067
Energy: 0.9487991175020561
Energy: 0.9337646361598435
Energy: 0.9692197834543657
Energy: 0.933764636159009
Energy: 0.9692197834543657
Energy: 0.9337646361598435
Energy: 0.9692197834543657
Energy: 0.9989939340093159
Energy: 0.9600861492715055
Energy: 0.9989939340084814
Energy: 0.9600861492715055
Energy: 0.9989939340093159
Energy: 0.9600861492715055
Energy: 0.9381422456319354
Energy: 0.9329688230829314
Energy: 0.9381422456319354
Energy: 0.9329688230837659
Energy: 0.9381422456319354
Energy: 0.9329688230829314
Energy: 0.928218674255706
Energy: 0.9463286479022941
Energy: 0.9282186742548714
Energy: 0.9463286479031288
Energy: 0.928218674255706
Energy: 0.9463286479022941
Energy: 0.9646423463553874
Energy: 0.9539070464690912
Energy: 0.9646423463545527
Energy: 0.9539070464690912
Energy: 0.9646423463545527
Energy: 0.9539070464690912
Energy: 0.9300027205615553
Energy: 0.9682988226245574
Energy: 0.9300027205623898
Energy: 0.9682988226245574
Energy: 0.9300027205623898
Energy: 0.9682988226245574
Energy: 0.9313775754192591
Energy: 0.9339825717058013
Energy: 0.9313775754192591
Energy: 0.933982571706636
Energy: 0.9313775754200936
Energy: 0.933982571706636
Energy: 0.9548204802835125
Energy: 0.9454775512245721
Energy: 0.9548204802835125
Energy: 0.9454775512245721
Energy: 0.9548204802835125
Energy: 0.9454775512245721
Energy: 0.9779582813402807
Energy: 0.9442566047400975
Energy: 0.9779582813402807
Energy: 0.9442566047400975
Energy: 0.9779582813402807
Energy: 0.9442566047392629
Energy: 0.9600258959571679
Energy: 0.9445787698704997
Energy: 0.9600258959563333
Energy: 0.9445787698704997
Energy: 0.9600258959563333
Energy: 0.9445787698704997
Energy: 1.0310910591512024
Energy: 0.9392234119320996
Energy: 1.0310910591512024
Energy: 0.9392234119329341
Energy: 1.0310910591520368
Energy: 0.9392234119329341
Energy: 0.9275722059148903
Energy: 0.9381515141721756
Energy: 0.9275722059148903
Energy: 0.9381515141721756
Energy: 0.9275722059140558
Energy: 0.9381515141721756
Energy: 0.9375722609609172
Energy: 0.9157244840935795
Energy: 0.9375722609617517
Energy: 0.9157244840935795
Energy: 0.9375722609609172
Energy: 0.9157244840935795
Energy: 0.9884158712675717
Energy: 0.9543770110688853
Energy: 0.9884158712675717
Energy: 0.9543770110688853
Energy: 0.9884158712683686
Energy: 0.9543770110688853

minimum gb energy = 0.9150711191939017 eV
minimum distance =  2.31766881866163 Angstroms
sigma value = 27


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

Energy: 0.9227071520554236
Energy: 0.8627023316141802
Energy: 0.9227071520554236
Energy: 0.8627023316148836
Energy: 0.9227071520554236
Energy: 0.8627023316141802
Energy: 0.8757802477871078
Energy: 0.9041255772101277
Energy: 0.875780247787811
Energy: 0.9041255772101277
Energy: 0.875780247787811
Energy: 0.9041255772108312
Energy: 0.9079567943632132
Energy: 0.880292900276364
Energy: 0.9079567943632132
Energy: 0.8802929002742534
Energy: 0.9079567943625096
Energy: 0.8802929002756603
Energy: 0.9062982164049487
Energy: 0.9093356190384969
Energy: 0.9062982164049487
Energy: 0.9093356190384969
Energy: 0.9062982164049487
Energy: 0.9093356190384969
Energy: 0.9051461664069801
Energy: 0.8619383329222509
Energy: 0.9051461664062765
Energy: 0.8619383329229544
Energy: 0.9051461664069801
Energy: 0.8619383329229544
Energy: 0.8650584602397838
Energy: 0.9259697142408048
Energy: 0.8650584602411909
Energy: 0.9259697142408048
Energy: 0.8650584602404874
Energy: 0.9259697142408048
Energy: 0.9223628341697255
Energy: 0.8636952330451597
Energy: 0.9223628341704291
Energy: 0.8636952330451597
Energy: 0.9223628341704291
Energy: 0.8636952330451597
Energy: 0.9452669311107804
Energy: 0.9423363413547374
Energy: 0.9452669311100769
Energy: 0.9423363413547374
Energy: 0.9452669311107804
Energy: 0.9423363413547374
Energy: 0.8645817263771861
Energy: 0.9259353396682108
Energy: 0.8645817263778897
Energy: 0.9259353396689143
Energy: 0.8645817263778897
Energy: 0.9259353396682108
Energy: 0.9064038340404711
Energy: 0.8633796021154292
Energy: 0.9064038340411746
Energy: 0.8633796021147256
Energy: 0.9064038340404711
Energy: 0.8633796021147256
Energy: 0.9069766226498918
Energy: 0.8633923363163488
Energy: 0.9069766226534093
Energy: 0.8633923363163488
Energy: 0.9069766226512987
Energy: 0.8633923363163488
Energy: 0.8645816293271029
Energy: 0.9256089092856505
Energy: 0.8645816293278065
Energy: 0.9256089092849471
Energy: 0.8645816293278065
Energy: 0.9256089092842436
Energy: 0.9455484302509984
Energy: 0.9424293367386902
Energy: 0.9455484302509984
Energy: 0.9424293367386902
Energy: 0.9455484302509984
Energy: 0.9424293367386902
Energy: 0.9223137971188566
Energy: 0.8637107640553229
Energy: 0.9223137971188566
Energy: 0.8637107640553229
Energy: 0.9223137971202635
Energy: 0.8637107640553229
Energy: 0.8649602404437402
Energy: 0.926043750372619
Energy: 0.8649602404444438
Energy: 0.926043750372619
Energy: 0.8649602404444438
Energy: 0.926043750372619
Energy: 0.9051742046182375
Energy: 0.8618843751165303
Energy: 0.9051742046182375
Energy: 0.8618843751179371
Energy: 0.9051742046182375
Energy: 0.8618843751158267
Energy: 0.9063379990747861
Energy: 0.9093368672451658
Energy: 0.9063379990747861
Energy: 0.9093368672451658
Energy: 0.9063379990740825
Energy: 0.9093368672451658
Energy: 0.9077541126203242
Energy: 0.8799185067345319
Energy: 0.9077541126224348
Energy: 0.8799185067345319
Energy: 0.9077541126217312
Energy: 0.8799185067338284
Energy: 0.8759886622158117
Energy: 0.9040472689204992
Energy: 0.8759886622151083
Energy: 0.9040472689190923
Energy: 0.8759886622151083
Energy: 0.9040472689204992
Energy: 0.9227071520554236
Energy: 0.8627023316148836
Energy: 0.9227071520554236
Energy: 0.8627023316141802
Energy: 0.9227071520554236
Energy: 0.8627023316148836
Energy: 0.8757802477871078
Energy: 0.9041255772101277
Energy: 0.875780247787811
Energy: 0.9041255772101277
Energy: 0.8757802477871078
Energy: 0.9041255772108312
Energy: 0.9079567943618061
Energy: 0.8802929002749569
Energy: 0.9079567943618061
Energy: 0.880292900276364
Energy: 0.9079567943625096
Energy: 0.880292900276364
Energy: 0.9062982164049487
Energy: 0.9093356190392005
Energy: 0.9062982164049487
Energy: 0.9093356190384969
Energy: 0.906298216405652
Energy: 0.9093356190392005
Energy: 0.9051461664062765
Energy: 0.8619383329222509
Energy: 0.9051461664062765
Energy: 0.8619383329229544
Energy: 0.9051461664069801
Energy: 0.8619383329229544
Energy: 0.8650584602397838
Energy: 0.9259697142415084
Energy: 0.8650584602404874
Energy: 0.9259697142408048
Energy: 0.8650584602397838
Energy: 0.9259697142408048

minimum gb energy = 0.8618843751158267 eV
minimum distance =  2.34069908661424 Angstroms
sigma value = 19


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

Energy: 0.9146148305898633
Energy: 0.9167731378432585
Energy: 0.9146148305898633
Energy: 0.9167731378432585
Energy: 0.914614830589256
Energy: 0.9167731378432585
Energy: 0.90789478386829
Energy: 0.8915840930923625
Energy: 0.907894783867683
Energy: 0.8915840930923625
Energy: 0.9078947838670756
Energy: 0.8915840930923625
Energy: 0.9119886530998905
Energy: 0.8700399402450723
Energy: 0.9119886530992833
Energy: 0.8700399402450723
Energy: 0.9119886530998905
Energy: 0.8700399402450723
Energy: 0.8806865930805594
Energy: 0.9081631294960445
Energy: 0.8806865930805594
Energy: 0.9081631294966517
Energy: 0.8806865930805594
Energy: 0.9081631294960445
Energy: 0.8947534934654403
Energy: 0.9069034439476023
Energy: 0.8947534934654403
Energy: 0.9069034439476023
Energy: 0.8947534934654403
Energy: 0.9069034439476023
Energy: 0.9023575992026746
Energy: 0.8883519019970963
Energy: 0.9023575992026746
Energy: 0.8883519019970963
Energy: 0.9023575992026746
Energy: 0.8883519019970963
Energy: 0.8652877742951597
Energy: 0.9239315841540503
Energy: 0.8652877742951597
Energy: 0.9239315841546577
Energy: 0.8652877742945526
Energy: 0.9239315841540503
Energy: 0.8913708138470917
Energy: 0.9428282732267059
Energy: 0.891370813847699
Energy: 0.9428282732267059
Energy: 0.891370813847699
Energy: 0.9428282732267059
Energy: 0.9538519546409776
Energy: 0.8682237502559342
Energy: 0.9538519546409776
Energy: 0.8682237502559342
Energy: 0.9538519546409776
Energy: 0.8682237502559342
Energy: 0.9128934501558164
Energy: 0.9043608065388228
Energy: 0.9128934501552091
Energy: 0.9043608065388228
Energy: 0.9128934501558164
Energy: 0.9043608065388228
Energy: 0.8754884910989427
Energy: 0.9239520211984653
Energy: 0.8754884910989427
Energy: 0.9239520211984653
Energy: 0.8754884910995498
Energy: 0.9239520211984653
Energy: 0.9129948517845313
Energy: 0.8682854343526765
Energy: 0.9129948517845313
Energy: 0.8682854343526765
Energy: 0.9129948517845313
Energy: 0.8682854343526765
Energy: 0.9002822363697736
Energy: 0.8963369635573182
Energy: 0.9002822363697736
Energy: 0.8963369635579255
Energy: 0.9002822363691662
Energy: 0.8963369635579255
Energy: 0.8850153623812529
Energy: 0.9000600839719005
Energy: 0.8850153623812529
Energy: 0.9000600839712932
Energy: 0.8850153623806456
Energy: 0.9000600839712932
Energy: 0.9245015291033778
Energy: 0.8789735687347056
Energy: 0.9245015291033778
Energy: 0.8789735687347056
Energy: 0.9245015291039852
Energy: 0.8789735687347056
Energy: 0.911466441930731
Energy: 0.8641782568373987
Energy: 0.911466441930731
Energy: 0.8641782568373987
Energy: 0.911466441930731
Energy: 0.8641782568373987
Energy: 0.8798762291736643
Energy: 0.9043061121167792
Energy: 0.879876229173057
Energy: 0.9043061121167792
Energy: 0.8798762291736643
Energy: 0.9043061121167792
Energy: 0.9150043198594393
Energy: 0.9150174116120446
Energy: 0.9150043198594393
Energy: 0.9150174116120446
Energy: 0.9150043198594393
Energy: 0.9150174116120446
Energy: 0.9008167341694744
Energy: 0.8861337033154202
Energy: 0.9008167341694744
Energy: 0.8861337033154202
Energy: 0.9008167341700817
Energy: 0.8861337033154202
Energy: 0.8865220712829599
Energy: 0.9134688858901809
Energy: 0.8865220712823526
Energy: 0.9134688858901809
Energy: 0.8865220712823526
Energy: 0.9134688858901809
Energy: 0.8600925362232831
Energy: 0.9236656554158024
Energy: 0.8600925362232831
Energy: 0.9236656554158024
Energy: 0.8600925362232831
Energy: 0.9236656554151951
Energy: 0.95654009435453
Energy: 0.8687409004342246
Energy: 0.95654009435453
Energy: 0.8687409004348318
Energy: 0.95654009435453
Energy: 0.8687409004342246
Energy: 0.9546228713135958
Energy: 0.9063153339268198
Energy: 0.9546228713135958
Energy: 0.9063153339268198
Energy: 0.9546228713135958
Energy: 0.9063153339268198
Energy: 0.9113015923432928
Energy: 0.919774010992701
Energy: 0.9113015923439002
Energy: 0.9197740109920935
Energy: 0.9113015923432928
Energy: 0.9197740109920935
Energy: 0.9016737239033152
Energy: 0.868819113637749
Energy: 0.9016737239033152
Energy: 0.868819113637749
Energy: 0.9016737239033152
Energy: 0.868819113637749
Energy: 0.9092424090148189
Energy: 0.8869396845128086
Energy: 0.9092424090154262
Energy: 0.8869396845122013
Energy: 0.9092424090148189
Energy: 0.8869396845128086
Energy: 0.8749183918960699
Energy: 0.9034399809158448
Energy: 0.8749183918960699
Energy: 0.9034399809152376
Energy: 0.8749183918960699
Energy: 0.9034399809152376
Energy: 0.9219096141839723
Energy: 0.8930836557867197
Energy: 0.9219096141839723
Energy: 0.8930836557867197
Energy: 0.9219096141839723
Energy: 0.8930836557867197
Energy: 0.9082763150767419
Energy: 0.8926077636946911
Energy: 0.9082763150767419
Energy: 0.8926077636946911
Energy: 0.9082763150773493
Energy: 0.8926077636946911

minimum gb energy = 0.8600925362232831 eV
minimum distance =  2.31859452231853 Angstroms
sigma value = 101


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

Energy: 0.8580554392172064
Energy: 0.9096037173191996
Energy: 0.8580554392166727
Energy: 0.9096037173191996
Energy: 0.8580554392172064
Energy: 0.9096037173191996
Energy: 0.8827010932595661
Energy: 0.850568168113973
Energy: 0.8827010932601
Energy: 0.850568168113973
Energy: 0.8827010932595661
Energy: 0.8505681681145068
Energy: 0.890642406673912
Energy: 0.8291496606552404
Energy: 0.8906424066733782
Energy: 0.8291496606552404
Energy: 0.890642406673912
Energy: 0.8291496606552404
Energy: 0.8216189424134139
Energy: 0.8978297999077619
Energy: 0.8216189424139478
Energy: 0.8978297999077619
Energy: 0.8216189424134139
Energy: 0.8978297999077619
Energy: 0.8577961564908763
Energy: 0.8610897482504598
Energy: 0.8577961564898087
Energy: 0.8610897482499259
Energy: 0.8577961564908763
Energy: 0.8610897482499259
Energy: 0.8912063071707192
Energy: 0.8287938224638942
Energy: 0.8912063071717867
Energy: 0.8287938224638942
Energy: 0.8912063071712529
Energy: 0.8287938224638942
Energy: 0.8491798989749207
Energy: 0.885074908622906
Energy: 0.8491798989754547
Energy: 0.8850749086239738
Energy: 0.8491798989754547
Energy: 0.885074908622906
Energy: 0.8192921182485488
Energy: 0.9765871688731566
Energy: 0.819292118248015
Energy: 0.8896702554516052
Energy: 0.819292118248015
Energy: 0.8896702554516052
Energy: 0.8896239406539876
Energy: 0.829505131569631
Energy: 0.8896239406545214
Energy: 0.8295051315701647
Energy: 0.8896239406539876
Energy: 0.8295051315701647
Energy: 0.8581672194539061
Energy: 0.8945722157799709
Energy: 0.8581672194533722
Energy: 0.8945722157799709
Energy: 0.8581672194544399
Energy: 0.8945722157799709
Energy: 0.8176372344424863
Energy: 0.9814294612181371
Energy: 0.8176372344424863
Energy: 0.9814294612181371
Energy: 0.8176372344419525
Energy: 0.9814294612181371
Energy: 0.9170546900598979
Energy: 0.8630195931957511
Energy: 0.9170546900598979
Energy: 0.8630195931957511
Energy: 0.9170546900593642
Energy: 0.8630195931973523
Energy: 0.8781559661925007
Energy: 0.8288178595805683
Energy: 0.8781559661919669
Energy: 0.8288178595805683
Energy: 0.8781559661925007
Energy: 0.8288178595811021
Energy: 0.8623157671378239
Energy: 0.9044358488543588
Energy: 0.8623157671372899
Energy: 0.9044358488543588
Energy: 0.8623157671378239
Energy: 0.9044358488543588
Energy: 0.9017891907944618
Energy: 0.8585668859823836
Energy: 0.9017891907944618
Energy: 0.8585668859818498
Energy: 0.9017891907949959
Energy: 0.8585668859818498
Energy: 0.882983807468122
Energy: 0.8285283178107299
Energy: 0.8829838074675883
Energy: 0.8285283178107299
Energy: 0.882983807468122
Energy: 0.8285283178107299
Energy: 0.8153238723068975
Energy: 0.8955936737742999
Energy: 0.8153238723074315
Energy: 0.8955936737742999
Energy: 0.8153238723068975
Energy: 0.8955936737748336
Energy: 0.8137181039376306
Energy: 0.88715174423648
Energy: 0.8137181039376306
Energy: 0.88715174423648
Energy: 0.8137181039376306
Energy: 0.8871517442359463
Energy: 0.8890570620902615
Energy: 0.8291606032373163
Energy: 0.8890570620913291
Energy: 0.8291606032373163
Energy: 0.8890570620907953
Energy: 0.8291606032373163
Energy: 0.8341777419264409
Energy: 0.8880171796601122
Energy: 0.8341777419264409
Energy: 0.8880171796601122
Energy: 0.8341777419275085
Energy: 0.8880171796601122
Energy: 0.8166694639855857
Energy: 0.979295993899361
Energy: 0.8166694639855857
Energy: 0.979295993899361
Energy: 0.8166694639845181
Energy: 0.979295993899361
Energy: 0.9096566986266048
Energy: 0.8251479013764641
Energy: 0.9096566986255371
Energy: 0.8251479013764641
Energy: 0.9096566986255371
Energy: 0.8251479013764641
Energy: 0.9088045669271698
Energy: 0.8244363381266325
Energy: 0.908804566926636
Energy: 0.8244363381260985
Energy: 0.908804566926636
Energy: 0.8244363381266325
Energy: 0.821539431499414
Energy: 0.901614702648145
Energy: 0.821539431499414
Energy: 0.9016147026476111
Energy: 0.8215394314999478
Energy: 0.9016147026476111
Energy: 0.9131924741188565
Energy: 0.8597426068128893
Energy: 0.9131924741204579
Energy: 0.8597426068134233
Energy: 0.9131924741199242
Energy: 0.8597426068128893
Energy: 0.8800022485996913
Energy: 0.8282301903773649
Energy: 0.8800022486002251
Energy: 0.8282301903773649
Energy: 0.8800022486002251
Energy: 0.8282301903773649
Energy: 0.857586299582832
Energy: 0.8893244453901261
Energy: 0.8575862995833659
Energy: 0.8893244453901261
Energy: 0.857586299582832
Energy: 0.8893244453901261
Energy: 0.8577925952374088
Energy: 0.8582158726379291
Energy: 0.8577925952374088
Energy: 0.8582158726379291
Energy: 0.8577925952368751
Energy: 0.8582158726379291
Energy: 0.9017417163789974
Energy: 0.837838996171368
Energy: 0.9017417163795314
Energy: 0.837838996171368
Energy: 0.9017417163789974
Energy: 0.837838996171368
Energy: 0.8142071626369725
Energy: 0.8960801340199599
Energy: 0.8142071626364387
Energy: 0.8960801340204937
Energy: 0.8142071626380399
Energy: 0.8960801340199599
Energy: 0.815733630757951
Energy: 0.8749111640989947
Energy: 0.815733630757951
Energy: 0.874911164098461
Energy: 0.8157336307574172
Energy: 0.8749111640989947
Energy: 0.9092956197501397
Energy: 0.8252489279483386
Energy: 0.9092956197501397
Energy: 0.8252489279478049
Energy: 0.9092956197496059
Energy: 0.8252489279483386
Energy: 0.9080720412682393
Energy: 0.8245689153802167
Energy: 0.9080720412677056
Energy: 0.8245689153802167
Energy: 0.9080720412677056
Energy: 0.8245689153802167

minimum gb energy = 0.8137181039376306 eV
minimum distance =  2.32956140487283 Angstroms
sigma value = 33


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

Energy: 0.01548803034868663
Energy: 0.6443558757495236
Energy: 0.01548803034868663
Energy: 0.6443558757495236
Energy: 0.01548803034868663
Energy: 0.6443558757495236
Energy: 0.016378582395091833
Energy: 0.25151873685166104
Energy: 0.016378582395535364
Energy: 0.25151873685166104
Energy: 0.016378582395535364
Energy: 0.25151873685166104
Energy: 1.5106840284260914
Energy: 0.2515170313182194
Energy: 0.6448621659355264
Energy: 0.2515170310698442
Energy: 0.6448621659389759
Energy: 0.2515170307772393
Energy: 0.016378582394672946
Energy: 0.2515187368503551
Energy: 0.016378582394672946
Energy: 0.2515187368507987
Energy: 0.016378582394672946
Energy: 0.2515187368507987

minimum gb energy = 0.01548803034868663 eV
minimum distance =  2.54309297135637 Angstroms
sigma value = 1