Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.635521709918977
cohesive_energy=3.5250006151892697
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.576431369806444 eV

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

Energy: 0.013478273715993876
Energy: 0.014064645255191814
Energy: 0.8722228253382708
Energy: 0.014064645255191814
Energy: 0.014064645255191814
Energy: 0.8945182290714573
Energy: 0.014064645255191814
Energy: 0.8945182290714573
Energy: 0.8722228253382708
Energy: 0.014064645255191814
Energy: 0.013478273715993876
Energy: 0.014064645255191814
Energy: 0.014064645255191814
Energy: 0.8945182290714573
Energy: 0.014064645255191814
Energy: 0.8945182290714573

minimum gb energy = 0.013478273715993876 eV
minimum distance =  2.47373906368917 Angstroms
sigma value = 1


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

Energy: 0.9013650710628696
Energy: 0.9377131825296139
Energy: 0.8906990602527212
Energy: 0.9377131825296139
Energy: 0.8780732503481449
Energy: 0.9308070501904709
Energy: 0.8622745943740707
Energy: 0.9308070501904709
Energy: 0.8389643851719716
Energy: 0.9232613121091862
Energy: 0.8615495916644301
Energy: 0.9232613121091862
Energy: 0.8531049964746221
Energy: 0.9498134438005862
Energy: 0.8555748712283958
Energy: 0.9498134438005862
Energy: 0.8562827315969633
Energy: 0.9387630958869759
Energy: 0.8688869148485792
Energy: 0.938763095886224
Energy: 0.8475424021776954
Energy: 1.0584913666142453
Energy: 0.8369254600340085
Energy: 1.0584913666134934
Energy: 0.8815130010109932
Energy: 0.9246421019103065
Energy: 0.8487089834558148
Energy: 0.9246421019103065
Energy: 0.8169391070672631
Energy: 0.9389265330709817
Energy: 0.8333453405207881
Energy: 0.9389265330709817
Energy: 0.8558601610636093
Energy: 1.0760501758882952
Energy: 0.8708676445069866
Energy: 1.0760501758882952
Energy: 0.8393683698174469
Energy: 0.9230002664243576
Energy: 0.8089042385151725
Energy: 0.9230002664243576
Energy: 0.873054668547615
Energy: 0.9190787325116513
Energy: 0.855781865004184
Energy: 0.9190787325108993
Energy: 0.87664772795036
Energy: 0.93919195602576
Energy: 0.8517619921769427
Energy: 0.93919195602576
Energy: 0.8613924363227669
Energy: 0.9226164300690035
Energy: 0.8816097947650685
Energy: 0.9226164300690035
Energy: 0.8671435962137223
Energy: 0.9323949514405595
Energy: 0.8507349640090072
Energy: 0.9323949514405595
Energy: 0.8570701237196343
Energy: 0.939156263122057
Energy: 0.8607564256093307
Energy: 0.939156263122057
Energy: 0.8731771673158752
Energy: 0.9371496354657874
Energy: 0.8621639868391424
Energy: 0.9371496354657874
Energy: 0.8618206546671743
Energy: 0.9234956966297989
Energy: 0.832508525945574
Energy: 0.9234956966297989
Energy: 0.862287371774198
Energy: 0.9231114993791367
Energy: 0.8785040240280829
Energy: 0.9231114993791367
Energy: 0.8160620408267562
Energy: 0.9384676100010655
Energy: 0.8530287293203
Energy: 0.9384676100003135
Energy: 0.877971548872956
Energy: 0.8650091014925647
Energy: 0.8579002192976003
Energy: 0.8650091014925647
Energy: 0.8372923311852893
Energy: 0.9231988459342139
Energy: 0.8074988260865187
Energy: 0.9231988459334617
Energy: 0.8557875085178255
Energy: 1.0724922244285857
Energy: 0.8662568750077274
Energy: 1.0724922244278337
Energy: 0.8702647013056002
Energy: 0.939088978649523
Energy: 0.8354769798040156
Energy: 0.939088978649523
Energy: 0.8579725881572182
Energy: 0.9245350396075688
Energy: 0.8480462962816222
Energy: 0.9245350396075688
Energy: 0.8485331346468117
Energy: 1.0593073983577055
Energy: 0.8809611159551202
Energy: 1.0593073983577055
Energy: 0.8580342223996935
Energy: 0.9387173424485462
Energy: 0.835494905901023
Energy: 0.9387173424492985
Energy: 0.8578699493837842
Energy: 1.062266632173665
Energy: 0.8558863162396324
Energy: 1.062266632173665
Energy: 0.8319441472843515
Energy: 0.9229560948579549
Energy: 0.8610865322898359
Energy: 0.9229560948579549
Energy: 0.8770712314095411
Energy: 0.9371288248434337
Energy: 0.8585604380277174
Energy: 0.9371288248441859
Energy: 0.8772288469231411
Energy: 0.9380201406259286
Energy: 0.8800180561975208
Energy: 0.9380201406259286
Energy: 0.8808832338644809
Energy: 0.9315560716666114
Energy: 0.861081857913159
Energy: 0.9315560716666114
Energy: 0.8639301083374771
Energy: 0.9237054549203176
Energy: 0.8670804469813507
Energy: 0.9237054549195656
Energy: 0.8560863856086389
Energy: 0.9493412130831338
Energy: 0.8575632307951432
Energy: 0.9493412130831338

minimum gb energy = 0.8074988260865187 eV
minimum distance =  2.30486224910179 Angstroms
sigma value = 1


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

Energy: 0.948255952566217
Energy: 1.002699882551909
Energy: 0.9672867895083155
Energy: 1.002699882551909
Energy: 0.9072401688132408
Energy: 0.9666339522534497
Energy: 0.8973521746350778
Energy: 0.9666339522534497
Energy: 0.8836378460484179
Energy: 1.002863027047628
Energy: 0.8971665215968495
Energy: 1.002863027047628
Energy: 0.8843843459105463
Energy: 0.9489576881782122
Energy: 0.8858314761155694
Energy: 0.9489576881782122
Energy: 0.8845007346387441
Energy: 0.9822835345811508
Energy: 0.9118317255410197
Energy: 0.9822835345811508
Energy: 0.937983801947736
Energy: 0.9822333024661363
Energy: 0.8766007947722083
Energy: 0.9822333024661363
Energy: 0.907324185005196
Energy: 0.8969615126265559
Energy: 0.8898857250706144
Energy: 0.8969615126265559
Energy: 0.8426159628264167
Energy: 1.0029170395403115
Energy: 0.8735077864988564
Energy: 1.0029170395403115
Energy: 0.884961405688727
Energy: 0.9148816751594367
Energy: 0.8975251329291735
Energy: 0.9148816751594367
Energy: 0.889033699290635
Energy: 1.0030993085542341
Energy: 0.9057656491476626
Energy: 1.0030993085542341
Energy: 0.9072248925479404
Energy: 0.9484695374858872
Energy: 0.9032528217659814
Energy: 0.9484695374858872
Energy: 0.8645266225149251
Energy: 0.9911937260148806
Energy: 0.902522127411132
Energy: 0.9911937260148806
Energy: 0.914938727299691
Energy: 0.9802960429385883
Energy: 0.9017842827021023
Energy: 0.9802960429385883
Energy: 0.9145854509306147
Energy: 0.9802889147062388
Energy: 0.9141310096646695
Energy: 0.9802889147062388
Energy: 0.8644098089078731
Energy: 0.9907577379152741
Energy: 0.9012453442862356
Energy: 0.9907577379152741
Energy: 0.9073035576705951
Energy: 0.9485468615891427
Energy: 0.8977757458593651
Energy: 0.9485468615891427
Energy: 0.888877683457518
Energy: 1.0030102418284736
Energy: 0.9066458151381734
Energy: 1.0030102418284736
Energy: 0.8849619970215419
Energy: 0.9147105673131587
Energy: 0.8974508428393563
Energy: 0.9147105673140163
Energy: 0.8425904618693911
Energy: 1.002558795596136
Energy: 0.8766535329927073
Energy: 1.002558795596136
Energy: 0.9073131634632541
Energy: 0.8979266616327097
Energy: 0.8854899591393341
Energy: 0.8979266616327097
Energy: 0.9378568795012044
Energy: 0.9825184416561998
Energy: 0.8902639144691639
Energy: 0.9825184416561998
Energy: 0.8845342270286645
Energy: 0.9822277529372823
Energy: 0.8865969596191219
Energy: 0.9822277529372823
Energy: 0.8846021159985324
Energy: 0.9489834402879366
Energy: 0.8972326413796325
Energy: 0.9489834402879366
Energy: 0.8702777688253047
Energy: 1.0028228773946297
Energy: 0.9013955625115443
Energy: 1.0028228773946297
Energy: 0.9073011302277233
Energy: 0.9660871687194178
Energy: 0.8974039126179766
Energy: 0.9660871687194178
Energy: 0.948255952566217
Energy: 1.002699882551909
Energy: 0.967286789507458
Energy: 1.002699882551909
Energy: 0.9072401688132408
Energy: 0.9666339522534497
Energy: 0.8973521746342201
Energy: 0.9666339522525922
Energy: 0.8836378460484179
Energy: 1.002863027047628
Energy: 0.8971665215968495
Energy: 1.002863027047628
Energy: 0.8843843459105463
Energy: 0.9489576881782122
Energy: 0.8791825422652813
Energy: 0.9489576881782122

minimum gb energy = 0.8425904618693911 eV
minimum distance =  2.28316939927087 Angstroms
sigma value = 25


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

Energy: 0.9762896497609067
Energy: 1.0461241749411192
Energy: 0.9684928370507577
Energy: 1.046124174940122
Energy: 0.9674374490971814
Energy: 1.0002088234458388
Energy: 0.9340616417989849
Energy: 1.0002088234458388
Energy: 0.9081565757999785
Energy: 1.0814910546319079
Energy: 0.9361539667700388
Energy: 1.0814910546319079
Energy: 0.9257662533113866
Energy: 1.0244113426585146
Energy: 0.9190947577144146
Energy: 1.0244113426585146
Energy: 0.9201383993137723
Energy: 1.0460209574385042
Energy: 0.9536282313893575
Energy: 1.0460209574375072
Energy: 0.9939111285291766
Energy: 1.0810262839822677
Energy: 0.9416040548605187
Energy: 1.0810262839822677
Energy: 0.9356379919910638
Energy: 0.9398521280261705
Energy: 0.9480905711598655
Energy: 0.9398521280261705
Energy: 1.0370492185904456
Energy: 1.0467517444072743
Energy: 0.8982054733964155
Energy: 1.0467517444072743
Energy: 0.948710956117795
Energy: 1.0015600445493924
Energy: 0.9366865701695973
Energy: 1.0015600445493924
Energy: 0.9424796468148875
Energy: 1.081020905678504
Energy: 0.9086171733055818
Energy: 1.081020905678504
Energy: 0.9569022566463021
Energy: 1.0457071166547256
Energy: 0.9336391452735396
Energy: 1.0457071166547256
Energy: 0.9197927874706474
Energy: 1.0454158902352413
Energy: 0.9334743499931469
Energy: 1.0454158902352413
Energy: 0.936416779729896
Energy: 1.0212649043231856
Energy: 0.9087275367446203
Energy: 1.0212649043231856
Energy: 0.9481036266359262
Energy: 0.9357303035431613
Energy: 0.9673807762709267
Energy: 0.9357303035431613
Energy: 0.9037077050264104
Energy: 1.0472240461873663
Energy: 0.8963241810859606
Energy: 1.0472240461873663
Energy: 0.9351663050932332
Energy: 0.9399790065953839
Energy: 0.9203229748244421
Energy: 0.9399790065953839
Energy: 0.8781160407195859
Energy: 1.0814255281778837
Energy: 0.8779420177345687
Energy: 1.0814255281788807
Energy: 0.9189445667804189
Energy: 1.0109638369257488
Energy: 0.9539853997982182
Energy: 1.0109638369257488
Energy: 0.9091812664244128
Energy: 1.0233096556400674
Energy: 0.9208025983690505
Energy: 1.0233096556400674
Energy: 0.9346036082124978
Energy: 1.0806340313730187
Energy: 0.9346260200702943
Energy: 1.0806340313730187
Energy: 0.9454129440351271
Energy: 1.0033242482091862
Energy: 0.9370176908927434
Energy: 1.0033242482091862
Energy: 0.9581665712551909
Energy: 1.0462740897592897
Energy: 0.9849915291915446
Energy: 1.0462740897592897
Energy: 0.9649251875798143
Energy: 1.0080747127940346
Energy: 0.934442042392911
Energy: 1.0080747127940346
Energy: 0.9094130126227034
Energy: 1.0808476889271923
Energy: 0.9429790293498991
Energy: 1.0808476889271923
Energy: 0.9343140891954469
Energy: 0.9452041131947139
Energy: 0.9187842070640765
Energy: 0.9452041131947139

minimum gb energy = 0.8779420177345687 eV
minimum distance =  2.30477099524646 Angstroms
sigma value = 9


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

Energy: 1.0280502565087348
Energy: 1.0266384579718286
Energy: 1.028832104333945
Energy: 1.0266384579718286
Energy: 0.9879217702607545
Energy: 1.0690684035265623
Energy: 0.9837807463399536
Energy: 1.0690684035265623
Energy: 0.9214901364329112
Energy: 1.0240480701806056
Energy: 0.9878944215524391
Energy: 1.0240480701806056
Energy: 0.9976342691033759
Energy: 1.108940196962527
Energy: 0.9493220316801306
Energy: 1.108940196962527
Energy: 1.0654345805538414
Energy: 1.0682306645100188
Energy: 0.9812287916837389
Energy: 1.0682306645100188
Energy: 0.9112106187939051
Energy: 1.0033091632831956
Energy: 0.9503067150653439
Energy: 1.0033091632831956
Energy: 0.9973166187920319
Energy: 0.9499275295082249
Energy: 0.9499489829319513
Energy: 0.9499275295070356
Energy: 1.000313106068006
Energy: 1.0014206556985474
Energy: 0.9410284052254108
Energy: 1.0014206556985474
Energy: 0.9962387447059997
Energy: 1.0688504917713828
Energy: 0.9849267694412192
Energy: 1.0688504917713828
Energy: 0.9946363245334114
Energy: 0.9961274501857682
Energy: 0.949850851586616
Energy: 0.9961274501857682
Energy: 0.9534624545922946
Energy: 1.07474973171571
Energy: 0.9877765968594999
Energy: 1.07474973171571
Energy: 0.9978697028550877
Energy: 0.9965683105788885
Energy: 0.9498960105730611
Energy: 0.9965683105788885
Energy: 0.911014639748313
Energy: 1.0248400655397771
Energy: 0.9371096532411912
Energy: 1.0248400655397771
Energy: 1.007859900606004
Energy: 1.001309767278959
Energy: 0.9845349494484671
Energy: 1.001309767278959
Energy: 0.9110306866962165
Energy: 1.0245842491452295
Energy: 0.9589141143407018
Energy: 1.0245842491452295
Energy: 0.9973240098372875
Energy: 0.9960673712421388
Energy: 0.9500198333034209
Energy: 0.996067371243328
Energy: 0.953493121283458
Energy: 1.0748126695404683
Energy: 0.9606512048335669
Energy: 1.0748126695404683
Energy: 0.994579997192629
Energy: 0.9958364729353066
Energy: 0.9498652957728563
Energy: 0.9958364729353066
Energy: 0.995766724410622
Energy: 1.068839803943861
Energy: 0.961701217328186
Energy: 1.068839803943861
Energy: 1.0004286681723662
Energy: 1.0018636205431872
Energy: 0.9411230247605873
Energy: 1.0018636205431872
Energy: 0.9950492225323548
Energy: 0.9499476100958258
Energy: 0.9498254184543016
Energy: 0.9499476100958258

minimum gb energy = 0.911014639748313 eV
minimum distance =  2.37174251268286 Angstroms
sigma value = 25


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

Energy: 0.9770542295926516
Energy: 1.0579928119107285
Energy: 1.1174323955776568
Energy: 1.0579928118798776
Energy: 0.9553502686341498
Energy: 1.0822836495536872
Energy: 0.938819526384774
Energy: 1.0822836495668895
Energy: 0.9393291428251598
Energy: 1.1771664579052394
Energy: 0.9382673717667789
Energy: 1.1771664579052394
Energy: 0.9767287680306223
Energy: 0.9540405616927121
Energy: 1.0668948609773246
Energy: 0.9540405616471548
Energy: 1.0653874083501178
Energy: 0.955839622280837
Energy: 0.9892390397002505
Energy: 0.955839622280837
Energy: 0.9419331343647729
Energy: 1.1772273326646971
Energy: 0.9401378090369837
Energy: 1.1772273326646971
Energy: 0.9814527907458948
Energy: 1.0790799161905533
Energy: 0.9392083044116498
Energy: 1.0790799161905533
Energy: 1.05579692688932
Energy: 1.155700037801995
Energy: 0.9753882729951401
Energy: 1.155700037801995
Energy: 0.9382707023920308
Energy: 1.0855127424518256
Energy: 0.9572374553904369
Energy: 1.0855127424518256
Energy: 1.1082085945891003
Energy: 1.1116462223410317
Energy: 0.9396009229080252
Energy: 1.1116462223425025
Energy: 0.9648367443378748
Energy: 1.1542719581272194
Energy: 1.1786274272488668
Energy: 1.1542719581272194
Energy: 0.9387508843623371
Energy: 0.9871557714287089
Energy: 1.1079481058741467
Energy: 0.9871557713993289
Energy: 1.0522850414500964
Energy: 1.175854418244467
Energy: 0.9383992747328672
Energy: 1.175854418244467
Energy: 0.9387009550176468
Energy: 0.9517528859478677
Energy: 0.9766916041535313
Energy: 0.9517528859493383
Energy: 0.981993356862237
Energy: 1.1524980895966253
Energy: 1.056623490251276
Energy: 1.1524980895966253
Energy: 0.9556877345475354
Energy: 1.0232076822060219
Energy: 0.9416327387396393
Energy: 1.0232076822060219
Energy: 0.9390385107345588
Energy: 1.03172672346229
Energy: 1.1069479868926384
Energy: 1.03172672346229

minimum gb energy = 0.9382673717667789 eV
minimum distance =  2.35719295499127 Angstroms
sigma value = 17


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

Energy: 1.0719835373107094
Energy: 1.0707238359575522
Energy: 1.1892485581601506
Energy: 1.0707238359575522
Energy: 1.0905941000458508
Energy: 1.065771362848883
Energy: 0.9643177938446317
Energy: 1.0657713628480499
Energy: 1.0782447313296508
Energy: 1.0619494415532782
Energy: 0.9630061130551348
Energy: 1.0619494415532782
Energy: 0.965091174748421
Energy: 1.0620365087445551
Energy: 1.038589899090307
Energy: 1.0620365087445551
Energy: 1.1140655522254466
Energy: 1.1282363076713293
Energy: 1.0078562884506774
Energy: 1.1282363076713293
Energy: 0.9804780034654388
Energy: 1.0527374956670235
Energy: 1.0690999036219226
Energy: 1.0527374956670235
Energy: 0.9685159775631792
Energy: 1.077141328375573
Energy: 0.9651491613799755
Energy: 1.077141328375573
Energy: 1.0695556219591353
Energy: 1.0656487033435689
Energy: 0.9780936041630997
Energy: 1.0656487033435689
Energy: 0.9829414180669321
Energy: 1.112359227848105
Energy: 1.110454506262647
Energy: 1.112359227848105
Energy: 1.1812464627590777
Energy: 1.047151791424891
Energy: 0.9640050268910848
Energy: 1.047151791424891
Energy: 0.9679808345432805
Energy: 1.063090510428198
Energy: 1.0815697130128186
Energy: 1.063090510428198
Energy: 0.9794002230186358
Energy: 1.0729936951617476
Energy: 0.9797132791956069
Energy: 1.072993695160915
Energy: 1.0818982931496526
Energy: 1.0634287045697504
Energy: 1.0608597009043894
Energy: 1.0634287045697504
Energy: 0.9631769802428289
Energy: 1.1231165289090006
Energy: 1.0910603584971628
Energy: 1.1231165289090006
Energy: 1.0548861554973032
Energy: 1.0705848306653185
Energy: 0.9807155691133072
Energy: 1.0705848306661514
Energy: 1.0774433028193358
Energy: 1.062778841330635
Energy: 1.0696800556376829
Energy: 1.062778841330635
Energy: 0.9652853483183341
Energy: 1.1050321414931148
Energy: 1.1778971214423724
Energy: 1.1050321414931148
Energy: 1.0620211295246171
Energy: 1.0562509847559103
Energy: 0.9807380294632392
Energy: 1.0562509847550774
Energy: 1.0419705504731782
Energy: 1.111202629278978
Energy: 1.0234401515344969
Energy: 1.111202629278978
Energy: 0.9646183401244632
Energy: 1.0620170742920652
Energy: 0.9653335786816651
Energy: 1.0620170742920652
Energy: 1.0164053478459165
Energy: 1.0613940527101084
Energy: 1.0779216961101332
Energy: 1.0613940527101084
Energy: 0.9647598020376901
Energy: 1.1827690209836292
Energy: 1.1796866229344949
Energy: 1.1827690209836292
Energy: 1.0926325561666892
Energy: 1.0712321647775418
Energy: 0.9632284624516488
Energy: 1.0712321647775418
Energy: 0.9793647351899287
Energy: 1.1076130455630755
Energy: 1.0805191628590354
Energy: 1.1076130455639086
Energy: 1.0537893775714526
Energy: 1.0616698790308132
Energy: 1.0789884428186383
Energy: 1.0616698790308132
Energy: 1.0987401701474815
Energy: 1.0605652585170458
Energy: 0.9644771861611399
Energy: 1.0605652585170458
Energy: 0.9909062789278191
Energy: 1.1860063857827001
Energy: 1.2122299174520248
Energy: 1.1860063857827001
Energy: 1.0710163761934743
Energy: 1.0537427765334535
Energy: 1.079195369992744
Energy: 1.0537427765334535
Energy: 1.1764324512780355
Energy: 1.1674429633416386
Energy: 0.967824172830666
Energy: 1.1674429633416386
Energy: 0.978245415276086
Energy: 1.1122156673007133
Energy: 1.0635506858361197
Energy: 1.1122156673007133

minimum gb energy = 0.9630061130551348 eV
minimum distance =  2.24264423009909 Angstroms
sigma value = 53


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

Energy: 0.9136342982946544
Energy: 0.9135951205964972
Energy: 1.1841744060794184
Energy: 0.9135951205964972
Energy: 1.1044949624632474
Energy: 0.9939362932942506
Energy: 0.9476433236665484
Energy: 0.9939362932942506
Energy: 0.9145126455857263
Energy: 0.9128856266432591
Energy: 0.9963012157000376
Energy: 0.9128856266432591
Energy: 0.9144369311776842
Energy: 0.9136629890458524
Energy: 0.9960918838397572
Energy: 0.9136629890458524
Energy: 1.1045080012750828
Energy: 0.9939300572136884
Energy: 0.947385270150463
Energy: 0.9939300572136884
Energy: 0.9136342982946544
Energy: 0.9135951205964972
Energy: 1.2080324207575306
Energy: 0.9135951205964972
Energy: 1.1044949624632474
Energy: 0.9939362932942506
Energy: 0.9961093234017329
Energy: 0.9939362932942506
Energy: 0.9145126455857263
Energy: 0.9128856266432591
Energy: 1.0688443920348263
Energy: 0.9128856266432591
Energy: 0.9144369311776842
Energy: 0.9136629890458524
Energy: 1.0608153375929386
Energy: 0.9136629890458524
Energy: 1.1045080012750828
Energy: 0.9939300572136884
Energy: 1.0232820663485644
Energy: 0.9939300572136884
Energy: 0.9136342982946544
Energy: 0.9135951205964972
Energy: 1.2080996922363376
Energy: 0.9135951205964972
Energy: 1.1044949624632474
Energy: 0.9939362932942506
Energy: 1.0603652938672734
Energy: 0.9939362932942506
Energy: 0.9145126455876439
Energy: 0.9128856266432591
Energy: 1.0688443920348263
Energy: 0.9128856266432591

minimum gb energy = 0.9128856266432591 eV
minimum distance =  2.33819577887374 Angstroms
sigma value = 9


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

Energy: 1.0603709106883503
Energy: 1.1685617235644645
Energy: 1.2580290419005984
Energy: 1.1685617235651742
Energy: 1.1625322948529275
Energy: 1.0593711435744309
Energy: 1.0078526644864996
Energy: 1.0593711435744309
Energy: 0.982234570824507
Energy: 1.003145774067491
Energy: 1.003558184493015
Energy: 1.003145774067491
Energy: 1.0872595105717453
Energy: 1.1608700158508762
Energy: 0.9964408280717074
Energy: 1.1608700158508762
Energy: 1.1400306057027967
Energy: 1.063858974366381
Energy: 1.0187502691618195
Energy: 1.063858974366381
Energy: 1.044951416722777
Energy: 1.0448733138194124
Energy: 1.0909706875218184
Energy: 1.0448733138194124
Energy: 1.275801993206122
Energy: 1.0563085397108247
Energy: 0.9972665072930851
Energy: 1.056308539710115
Energy: 0.9917037945985983
Energy: 1.1542867925414324
Energy: 1.078284043654581
Energy: 1.1542867925329159
Energy: 0.9855302291246119
Energy: 1.1739788042825796
Energy: 1.0480898468777653
Energy: 1.1739788042825796
Energy: 1.0124551599217286
Energy: 1.0504018164981908
Energy: 1.0272467587164693
Energy: 1.0504018164981908
Energy: 1.0006423536719036
Energy: 1.0994714912615067
Energy: 1.2128193548335577
Energy: 1.0994714912615067
Energy: 1.115394586282643
Energy: 1.1057510996917173
Energy: 0.9874033691366226
Energy: 1.1057510996938464
Energy: 0.9904258456336638
Energy: 1.0761545126671948
Energy: 1.1645777554818244
Energy: 1.0761545126671948
Energy: 1.090088470359762
Energy: 1.1033487247574132
Energy: 1.0228209332298368
Energy: 1.1033487247574132
Energy: 0.9942217828350826
Energy: 1.095235315174237
Energy: 1.0990917091574544
Energy: 1.095235315173527
Energy: 0.9943018813095436
Energy: 1.1731961735735041
Energy: 1.0639771442928045
Energy: 1.1731961735735041
Energy: 1.055510165725025
Energy: 1.151401201623366
Energy: 0.9939673240657835
Energy: 1.151401201623366
Energy: 1.0038188199273352
Energy: 1.0562719096888125
Energy: 1.1379587264890987
Energy: 1.0562719096888125
Energy: 1.1199380851972676
Energy: 1.11717811489791
Energy: 1.045519325685378
Energy: 1.1171781148972002
Energy: 0.9874487599824774
Energy: 1.0628451427724461
Energy: 1.092038225265873
Energy: 1.0628451427724461
Energy: 1.0692065565339417
Energy: 1.1600628841859792
Energy: 1.0658100605235177
Energy: 1.1600628841859792
Energy: 1.0700532379141394
Energy: 1.0031485098838842
Energy: 0.983192781192547
Energy: 1.0031485098874329
Energy: 1.044945347632893
Energy: 1.103021381121967
Energy: 1.0124495330967693
Energy: 1.103021381121967
Energy: 1.2246862283533688
Energy: 1.094984509589368
Energy: 0.9981287453653525
Energy: 1.0949845094751376
Energy: 1.0136242470038082
Energy: 1.1177365955097855
Energy: 1.2206304068746754
Energy: 1.1177365955104954
Energy: 1.007978117945533
Energy: 1.002747413859092
Energy: 0.9882961469330618
Energy: 1.0027474138598018
Energy: 1.0884026913504419
Energy: 1.1616336623152974
Energy: 1.0871952844718897
Energy: 1.1616336623152974
Energy: 1.0698676694068423
Energy: 1.1444096761195486
Energy: 1.0873236426048056
Energy: 1.1444096761195486
Energy: 1.0450280204262126
Energy: 1.0023581744790326
Energy: 0.987353956533061
Energy: 1.0023581744790326
Energy: 1.007297551059025
Energy: 1.1202326356601793
Energy: 1.206555466980213
Energy: 1.1202326356601793
Energy: 1.1501966129023802
Energy: 1.0759781207221941
Energy: 0.9974389195550194
Energy: 1.0759781207193553
Energy: 1.0370785109536198
Energy: 1.0916466013610346
Energy: 1.0120662629830084
Energy: 1.0916466013603248
Energy: 1.0310019204766772
Energy: 1.109086390322501
Energy: 0.9822343121368523
Energy: 1.109086390322501
Energy: 1.064122138971403
Energy: 1.1607317370187198
Energy: 1.063509965525194
Energy: 1.1607317370194294
Energy: 0.9906196607682725
Energy: 1.2035904706274483
Energy: 1.247849921790023
Energy: 1.2035904706238998

minimum gb energy = 0.9822343121368523 eV
minimum distance =  2.29091060611658 Angstroms
sigma value = 73


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

Energy: 1.0873527951140016
Energy: 1.0837826448236794
Energy: 1.23100997023633
Energy: 1.0837826448236794
Energy: 1.069044535154665
Energy: 1.1047537477300766
Energy: 1.0160011846558512
Energy: 1.1047537477300766
Energy: 0.9975217642826948
Energy: 1.0156921707652833
Energy: 1.0100995483198927
Energy: 1.0156921707652833
Energy: 0.9783991189996376
Energy: 1.1591237859028942
Energy: 1.0103515776111078
Energy: 1.1591237859028942
Energy: 1.037077307877902
Energy: 1.095593884712143
Energy: 1.0388253837734798
Energy: 1.095593884712143
Energy: 1.013365588404446
Energy: 1.004522865743045
Energy: 1.155945435132236
Energy: 1.004522865743045
Energy: 1.2500349214952458
Energy: 1.1528379468448064
Energy: 0.9958132549629582
Energy: 1.1528379468448064
Energy: 0.9891049842795596
Energy: 1.0099479294551226
Energy: 1.1709859558892775
Energy: 1.0099479294551226
Energy: 1.2110844619531018
Energy: 1.0109759277218466
Energy: 1.0095269146302648
Energy: 1.0109759277218466
Energy: 0.9974565084925225
Energy: 1.0744832973644318
Energy: 0.999479143542384
Energy: 1.0744832973644318
Energy: 0.987197553346873
Energy: 1.0112973801349507
Energy: 1.156881902783619
Energy: 1.0112973801349507
Energy: 1.1146638959757296
Energy: 1.1483891849753838
Energy: 0.978572676920084
Energy: 1.1483891849753838
Energy: 1.0108635312479335
Energy: 1.081203861605621
Energy: 1.1600839263913314
Energy: 1.081203861605621
Energy: 1.1738400230828632
Energy: 1.1478776813043925
Energy: 1.0135082788175886
Energy: 1.1478776813043925
Energy: 0.9922327043908796
Energy: 1.1669690184817811
Energy: 1.161260356000365
Energy: 1.1669690184817811
Energy: 1.1573152306851906
Energy: 1.0103872714985014
Energy: 0.9896374145974874
Energy: 1.0103872714985014
Energy: 1.0619536956547853
Energy: 1.07498468117097
Energy: 0.9976558376442523
Energy: 1.07498468117097
Energy: 1.0604437056124023
Energy: 1.1630781803238492
Energy: 0.9979860482353287
Energy: 1.1630781803238492
Energy: 0.9774949134780958
Energy: 1.0103358097551876
Energy: 0.9877069626262622
Energy: 1.0103358097551876
Energy: 1.016324761340422
Energy: 1.0995862652124606
Energy: 1.207435830453511
Energy: 1.0995862652113346
Energy: 1.2063019964740695
Energy: 1.054151543521238
Energy: 1.0141286228549296
Energy: 1.054151543521238
Energy: 1.024367637000537
Energy: 1.1010250669547224
Energy: 1.1108100498365001
Energy: 1.1010250669547224

minimum gb energy = 0.9774949134780958 eV
minimum distance =  2.30374128014554 Angstroms
sigma value = 7


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

Energy: 1.086895637242138
Energy: 1.0868460590332973
Energy: 1.260557355649689
Energy: 1.0868460590332973
Energy: 1.105976880902596
Energy: 1.0740517225071815
Energy: 1.0120556605683104
Energy: 1.0740517225071815
Energy: 0.9924101602395494
Energy: 1.0346994348536587
Energy: 1.014767686799637
Energy: 1.0346994348536587
Energy: 1.0125056498772746
Energy: 1.1385811494711309
Energy: 1.0264921599670427
Energy: 1.1385811494711309
Energy: 1.0014551713848403
Energy: 1.072965383105372
Energy: 1.0574206303550004
Energy: 1.0729653831045758
Energy: 1.0060296437708145
Energy: 1.0362387203579126
Energy: 1.1365989327420816
Energy: 1.0362387203579126
Energy: 1.1265130988757377
Energy: 1.1385615238338027
Energy: 1.0116991681836152
Energy: 1.138561523834599
Energy: 1.0061066256305764
Energy: 1.0347589230056162
Energy: 1.2286484895477405
Energy: 1.03475892300482
Energy: 1.118700449426246
Energy: 1.1342683340698885
Energy: 1.0213917212884223
Energy: 1.1342683340698885
Energy: 0.9968600360556414
Energy: 1.0965820813870126
Energy: 1.143495812324782
Energy: 1.0965820813870126
Energy: 1.0135901883456822
Energy: 1.183135952549363
Energy: 1.014729499250443
Energy: 1.183135952549363
Energy: 1.029729865957987
Energy: 1.126594800902234
Energy: 1.012963767657673
Energy: 1.1265948009014375
Energy: 1.044493956858288
Energy: 1.0898373052430235
Energy: 1.0152933356727796
Energy: 1.0898373052430235
Energy: 1.043749954255241
Energy: 1.0264304733646763
Energy: 1.0113436778549025
Energy: 1.0264304733654723
Energy: 0.9989441397645251
Energy: 1.1675090854108003
Energy: 1.1315557688801494
Energy: 1.1675090854044305
Energy: 1.2008602412565108
Energy: 1.0784568085980812
Energy: 1.0181349273070623
Energy: 1.0784568085980812
Energy: 1.0093787029428916
Energy: 1.0911902842933563
Energy: 1.0264119416618211
Energy: 1.0911902842933563
Energy: 1.0204828776693804
Energy: 1.1758655330967862
Energy: 1.012427284800668
Energy: 1.17586553309599
Energy: 1.0109012261800552
Energy: 1.0369971913045604
Energy: 1.01551627390957
Energy: 1.0369971913045604
Energy: 1.0034649772924136
Energy: 1.0862829616941883
Energy: 1.057358790932869
Energy: 1.0862829616941883
Energy: 1.015697843620244
Energy: 1.1675361305879823
Energy: 1.0209509047258183
Energy: 1.1675361305879823
Energy: 0.9958561413356354
Energy: 1.0345804885335719
Energy: 1.1090210051125182
Energy: 1.0345804885335719
Energy: 1.1975477719279366
Energy: 1.1159498149369813
Energy: 1.014129800782411
Energy: 1.1159498149369813
Energy: 1.0853559261035777
Energy: 1.0849213335018273
Energy: 1.1785163205231248
Energy: 1.0849213335018273
Energy: 1.073861125632777
Energy: 1.0734026173003484
Energy: 1.0104898374454745
Energy: 1.0734026173011446
Energy: 1.0066049923660874
Energy: 1.1823287198708632
Energy: 1.020715834294701
Energy: 1.1823287198708632
Energy: 0.9926854179743225
Energy: 1.1342248177207008
Energy: 1.0197767973200158
Energy: 1.1342248177207008
Energy: 1.0559242746875117
Energy: 1.0764843586735897
Energy: 1.0255950656668313
Energy: 1.0764843586735897
Energy: 1.0033860280080455
Energy: 1.0342953375710244
Energy: 1.072202375704021
Energy: 1.0342953375718207
Energy: 1.0660252080703232
Energy: 1.0285753657529118
Energy: 1.012171447067163
Energy: 1.0285753657521157
Energy: 1.0032657993040521
Energy: 1.0345861982480737
Energy: 1.112949253781607
Energy: 1.0345861982480737

minimum gb energy = 0.9924101602395494 eV
minimum distance =  2.28523771692025 Angstroms
sigma value = 29


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

Energy: 0.9771971010726519
Energy: 0.9653700267152582
Energy: 1.0016741103861009
Energy: 0.9653700267152582
Energy: 0.9600881972057433
Energy: 0.9772908375405209
Energy: 0.9805729095253116
Energy: 0.9772908375405209
Energy: 0.9829147478355551
Energy: 1.0388475818823635
Energy: 1.0260820205405032
Energy: 1.0388475818823635
Energy: 0.9808189723152569
Energy: 0.9382061510762543
Energy: 0.9802048996430861
Energy: 0.9382061510770554
Energy: 0.9782334636553208
Energy: 1.012402008203959
Energy: 1.0266360796474125
Energy: 1.012402008203959
Energy: 0.9455236499182803
Energy: 1.0358575456479564
Energy: 0.945565903621466
Energy: 1.0358575456479564
Energy: 0.9422130262579581
Energy: 1.0123621782548702
Energy: 0.978188165215826
Energy: 1.0123621782545926
Energy: 0.9801500972427539
Energy: 0.9381863994807692
Energy: 0.9807577909096671
Energy: 0.9381863994813238
Energy: 1.0261971793339
Energy: 1.0388467577649128
Energy: 0.9479904631775599
Energy: 1.0388467577649128

minimum gb energy = 0.9381863994807692 eV
minimum distance =  2.34954428496542 Angstroms
sigma value = 5


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

Energy: 0.9419241785251861
Energy: 0.9678561351621677
Energy: 1.1038940452200605
Energy: 0.9678561351621677
Energy: 1.0470567147988268
Energy: 0.9258962354483441
Energy: 0.9068959958378447
Energy: 0.9258962354483441
Energy: 0.9120668859124184
Energy: 0.95982460047838
Energy: 1.08007720913136
Energy: 0.95982460047838
Energy: 0.9073296534331298
Energy: 1.001360815110343
Energy: 0.918851355625076
Energy: 1.001360815110343
Energy: 0.9236862994539158
Energy: 1.0083814843961159
Energy: 1.0583928098226125
Energy: 1.0083814843968677
Energy: 0.9628228174546054
Energy: 0.9706949573994739
Energy: 0.9064894753957843
Energy: 0.9706949573994739
Energy: 0.9120915746636092
Energy: 1.0064713747798284
Energy: 0.9195945150732655
Energy: 1.0064713747798284
Energy: 0.9088850624159517
Energy: 0.9704019152126591
Energy: 0.9156378636899761
Energy: 0.970401915211907
Energy: 0.9236818567031276
Energy: 1.006353564386294
Energy: 0.9288481642962294
Energy: 1.006353564386294
Energy: 0.920537907994341
Energy: 1.0069733529098526
Energy: 0.9133561341350359
Energy: 1.0069733529106046
Energy: 0.9700586438233433
Energy: 1.003379531295871
Energy: 0.9146451046637557
Energy: 1.003379531295871
Energy: 0.9147046757667868
Energy: 1.0249210697182856
Energy: 0.9675803795355582
Energy: 1.0249210697182856
Energy: 0.9643954804002348
Energy: 0.9688801536317979
Energy: 0.9592283133184227
Energy: 0.9688801536317979
Energy: 0.9239155802153319
Energy: 0.9677210105684907
Energy: 0.9466147214709099
Energy: 0.9677210105684907
Energy: 1.0750440689281366
Energy: 0.9166140563545174
Energy: 0.9142562657652293
Energy: 0.9166140563537654
Energy: 0.9207179728974987
Energy: 0.9599232653250148
Energy: 0.9430541513306997
Energy: 0.9599232653250148
Energy: 1.0560955833380865
Energy: 0.943775541462682
Energy: 0.9165629483522518
Energy: 0.943775541462682
Energy: 0.9246735946067024
Energy: 0.9688446971044421
Energy: 1.0408200417241915
Energy: 0.9688446971044421
Energy: 0.9190087024083426
Energy: 1.0083094415609708
Energy: 0.9069147494769487
Energy: 1.0083094415609708
Energy: 0.9123536832114252
Energy: 1.0447267697188696
Energy: 0.9478273090893699
Energy: 1.0447267697196219
Energy: 0.9067495797285043
Energy: 0.9991308764287485
Energy: 0.9187082906812378
Energy: 0.9991308764287485
Energy: 0.929377429199306
Energy: 1.006807171669316
Energy: 0.9273482807438234
Energy: 1.006807171669316
Energy: 0.9070316780114581
Energy: 0.9695759101432855
Energy: 0.9054087023203209
Energy: 0.9695759101432855
Energy: 0.9671780178621631
Energy: 0.9647517894624825
Energy: 0.9171653640095342
Energy: 0.9647517894624825
Energy: 0.9790368940249443
Energy: 0.9538732035474302
Energy: 0.918783104716455
Energy: 0.9538732035474302
Energy: 0.9536760169907605
Energy: 0.9681144802682267
Energy: 0.9237457853508779
Energy: 0.9681144802682267
Energy: 0.9067218865823734
Energy: 0.9979640582554259
Energy: 0.9609226563873894
Energy: 0.9979640582546737
Energy: 0.9731344398262888
Energy: 1.0046289708045464
Energy: 0.9207900153838334
Energy: 1.0046289708052984
Energy: 0.9134516766691476
Energy: 0.9256191246979966
Energy: 1.0645763878191075
Energy: 0.9256191246979966
Energy: 1.0202034603671655
Energy: 0.968278956132685
Energy: 0.9245113901039251
Energy: 0.968278956132685
Energy: 0.910566505356888
Energy: 0.9376712906605098
Energy: 1.0204570479353414
Energy: 0.9376712906605098
Energy: 1.0549583266440141
Energy: 0.9978925673611014
Energy: 0.912884218316094
Energy: 0.9978925673611014
Energy: 0.9225708778726746
Energy: 1.0022722167826792
Energy: 0.9078704799000102
Energy: 1.0022722167826792

minimum gb energy = 0.9054087023203209 eV
minimum distance =  2.30030571214129 Angstroms
sigma value = 1


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

Energy: 0.92485118206918
Energy: 0.9240164882316306
Energy: 0.9154056266329866
Energy: 0.9240164882316306
Energy: 0.9264435530025648
Energy: 0.8705784415639292
Energy: 0.8822976342666543
Energy: 0.8705784415639292
Energy: 0.8602948143942679
Energy: 0.9245570898629477
Energy: 1.0327964597415862
Energy: 0.9245570898629477
Energy: 0.889885734178984
Energy: 0.9762262774003079
Energy: 0.8762093886791985
Energy: 0.9762262774003079
Energy: 0.8594117985574137
Energy: 1.0126013925785948
Energy: 1.0531928141039473
Energy: 1.0126013925785948
Energy: 0.8587836466097979
Energy: 0.9751107149385305
Energy: 0.8761258727236054
Energy: 0.9751107149385305
Energy: 0.859277391486345
Energy: 1.013179197393091
Energy: 0.9048729191878093
Energy: 1.013179197393091
Energy: 0.8596197674739993
Energy: 0.9276707810687598
Energy: 0.9179574078550509
Energy: 0.9276707810687598
Energy: 0.923472424035889
Energy: 0.9159901693481987
Energy: 0.8956838642329044
Energy: 0.9159901693481987
Energy: 0.9234499470291748
Energy: 0.9160671531849025
Energy: 0.898338905758166
Energy: 0.9160671531849025
Energy: 0.8596094849700581
Energy: 0.9277373499117503
Energy: 0.9159331284003431
Energy: 0.9277373499117503
Energy: 0.8593195725857367
Energy: 1.0132831709469274
Energy: 0.8956832158574187
Energy: 1.0132831709469274
Energy: 0.8585110521669281
Energy: 0.974518060111305
Energy: 0.8760529992052448
Energy: 0.9745180601123449
Energy: 0.8592628054521387
Energy: 1.0125979346907044
Energy: 0.9240537403485094
Energy: 1.0125979346907044
Energy: 0.8898422256281535
Energy: 0.9765023101548702
Energy: 0.8808447444209554
Energy: 0.9765023101548702
Energy: 0.8602843876484311
Energy: 0.9245485867932388
Energy: 1.001602105976852
Energy: 0.9245485867932388
Energy: 0.9140886771976467
Energy: 0.870666567993395
Energy: 0.8823960424516242
Energy: 0.870666567993395
Energy: 0.92485118206918
Energy: 0.9240164882316306
Energy: 1.090447497945195
Energy: 0.9240164882316306
Energy: 0.9264435530025648
Energy: 0.8705784415639292
Energy: 0.8822976342666543
Energy: 0.8705784415639292
Energy: 0.8602948143942679
Energy: 0.9245570898629477
Energy: 1.211406195359456
Energy: 0.9245570898629477
Energy: 0.889885734178984
Energy: 0.9762262774003079
Energy: 0.8762093886791985
Energy: 0.9762262774003079
Energy: 0.8594117985574137
Energy: 1.012601392577555
Energy: 1.0531928141039473
Energy: 1.0126013925785948
Energy: 0.858783646610838
Energy: 0.9751107149385305
Energy: 0.8761258727236054
Energy: 0.9751107149385305
Energy: 0.859277391486345
Energy: 1.013179197393091
Energy: 0.8910623532240889
Energy: 1.013179197393091

minimum gb energy = 0.8585110521669281 eV
minimum distance =  2.3126810361643 Angstroms
sigma value = 17


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

Energy: 0.9743132241087529
Energy: 0.9774579153180203
Energy: 1.0935070591499798
Energy: 0.9774579153180203
Energy: 1.0648046519011258
Energy: 0.8854030357115548
Energy: 0.879980081602468
Energy: 0.8854030357121976
Energy: 0.8761506485867104
Energy: 0.9013783636901812
Energy: 1.0831797267791348
Energy: 0.9013783636901812
Energy: 0.956631991061254
Energy: 0.8792116354804294
Energy: 0.8840828390870876
Energy: 0.8792116354797866
Energy: 0.870264768223292
Energy: 0.9719351124177655
Energy: 1.1389475233826312
Energy: 0.9719351124177655
Energy: 0.8617735115454824
Energy: 0.8821000712665028
Energy: 0.8989427651800382
Energy: 0.8821000712665028
Energy: 0.8770663298540498
Energy: 0.9513714414535469
Energy: 0.9869381037004659
Energy: 0.9513714414535469
Energy: 0.866839342760729
Energy: 0.9457188655549255
Energy: 0.8759739633567728
Energy: 0.9457188655549255
Energy: 0.9685709363647917
Energy: 0.9357152659987582
Energy: 0.9175926139896513
Energy: 0.9357152659981154
Energy: 0.9726951639347241
Energy: 0.9353531267572399
Energy: 0.8767506325791836
Energy: 0.9353531267572399
Energy: 0.8883813020787492
Energy: 0.9158425160764772
Energy: 0.873651284107578
Energy: 0.9158425160764772
Energy: 0.8916068962469953
Energy: 0.9447658331596885
Energy: 0.8851771420552758
Energy: 0.9447658331596885
Energy: 0.8628853330672339
Energy: 1.0624511616869867
Energy: 0.8760510388853295
Energy: 1.062451161687629
Energy: 0.8739785605721713
Energy: 0.9702391533889702
Energy: 0.9866184005845317
Energy: 0.9702391533889702
Energy: 0.8726141038894268
Energy: 0.9354406238028373
Energy: 0.9208629916903075
Energy: 0.9354406238028373
Energy: 0.8740757170568125
Energy: 0.901743784878936
Energy: 1.0643683150213152
Energy: 0.901743784878936
Energy: 0.9466603636934144
Energy: 0.8730679823526654
Energy: 0.8786495487975391
Energy: 0.8730679823526654
Energy: 0.8791893428696629
Energy: 0.9130599197277584
Energy: 0.9420394571265754
Energy: 0.9130599197277584
Energy: 1.0493636546079896
Energy: 0.9474952940079161
Energy: 0.8755028197191438
Energy: 0.9474952940085589
Energy: 0.8937857631412434
Energy: 0.8961216043984508
Energy: 1.1071442194973962
Energy: 0.8961216043984508
Energy: 1.0529629034915549
Energy: 0.8895372494212574
Energy: 0.8697660729831695
Energy: 0.8895372494219003
Energy: 0.8687450377619126
Energy: 0.9516950052404036
Energy: 0.996485395505033
Energy: 0.9516950052404036
Energy: 0.9415318296047431
Energy: 0.8790205412186809
Energy: 0.896383997573255
Energy: 0.8790205412161098
Energy: 0.8766311732719131
Energy: 0.9576541598543269
Energy: 1.0852980030009338
Energy: 0.9576541598536842
Energy: 0.8903467797939839
Energy: 0.9142096843203497
Energy: 0.8813246380624583
Energy: 0.9142096843197072
Energy: 0.8723965375655276
Energy: 0.9696899663701188
Energy: 0.970248952584524
Energy: 0.9696899663701188
Energy: 1.0094437972367685
Energy: 0.9305964441233743
Energy: 0.8749388320184401
Energy: 0.9305964441233743
Energy: 0.9790596280109845
Energy: 1.153721668627537
Energy: 0.8727610378601519
Energy: 1.153721668627537
Energy: 0.9832713849697868
Energy: 0.9694288856954288
Energy: 0.877070544995767
Energy: 0.9694288856954288
Energy: 0.872272619008645
Energy: 0.9282640543603954
Energy: 0.8907975619272048
Energy: 0.9282640543603954
Energy: 0.8822914446684147
Energy: 0.9693719848736119
Energy: 0.8943850242308965
Energy: 0.969371984872969
Energy: 0.8725566384669531
Energy: 1.0507248847948754
Energy: 0.8849630459595856
Energy: 1.0507248847948754
Energy: 0.874795229558282
Energy: 0.9344036683470481
Energy: 1.0233907693465414
Energy: 0.9344036683457627
Energy: 0.9210166564251882
Energy: 0.9524104052031876
Energy: 0.8995191736393022
Energy: 0.9524104052031876
Energy: 0.8685266595394087
Energy: 0.9141999765761984
Energy: 0.8880148685550963
Energy: 0.9141999765761984
Energy: 0.9828734548493551
Energy: 0.9573406437810383
Energy: 0.8771511647516087
Energy: 0.9573406437810383
Energy: 0.8948632386650296
Energy: 0.8789631815833906
Energy: 0.8635321913290388
Energy: 0.8789631815859615
Energy: 1.0165377181237523
Energy: 0.9609263183001869
Energy: 0.8680351846650702
Energy: 0.9609263183001869

minimum gb energy = 0.8617735115454824 eV
minimum distance =  2.30381283114293 Angstroms
sigma value = 89


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

Energy: 0.8001963500369711
Energy: 0.799776010098172
Energy: 1.236127412431439
Energy: 0.799776010098172
Energy: 0.8094690981519878
Energy: 0.8278758850823721
Energy: 0.811555746604209
Energy: 0.8278758850823721
Energy: 0.809783988659071
Energy: 0.948739148564954
Energy: 1.119188655883947
Energy: 0.948739148564954
Energy: 0.7962379136753651
Energy: 0.827816553673651
Energy: 0.8118118048970241
Energy: 0.827816553673651
Energy: 0.8104985648215853
Energy: 0.8831049234722542
Energy: 0.8099754937531075
Energy: 0.8831049234722542
Energy: 0.808890016374966
Energy: 0.8010336241407825
Energy: 0.8028897293836588
Energy: 0.8010336241424645
Energy: 0.8099938179184608
Energy: 0.949059284542771
Energy: 0.7999735050494293
Energy: 0.949059284542771
Energy: 0.8088386504028303
Energy: 0.9482054595882387
Energy: 0.8115123512926093
Energy: 0.9482054595882387
Energy: 0.8107414634494451
Energy: 0.8828709074024481
Energy: 0.7977237008948345
Energy: 0.8828709074024481
Energy: 0.8285160566971655
Energy: 0.8802032621928596
Energy: 0.8019341726481904
Energy: 0.8802032621928596
Energy: 0.7994676413354436
Energy: 0.828665640893163
Energy: 0.8091265605497991
Energy: 0.828665640893163
Energy: 0.799777063461806
Energy: 0.9504771471483118
Energy: 0.8113345251815408
Energy: 0.9504771471483118
Energy: 0.8100076105980432
Energy: 0.8023098104137188
Energy: 0.8066500700393481
Energy: 0.8023098104137188
Energy: 0.8030431251228376
Energy: 0.8807727701174318
Energy: 0.8026150106198122
Energy: 0.8807727701174318
Energy: 0.7977190550820494
Energy: 0.8022151730460829
Energy: 0.8093154085229045
Energy: 0.8022151730460829

minimum gb energy = 0.7962379136753651 eV
minimum distance =  2.33301185760818 Angstroms
sigma value = 13


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

Energy: 0.8005076131460869
Energy: 1.014544813469975
Energy: 1.0188807448826842
Energy: 1.01454481347068
Energy: 1.0733357552321563
Energy: 1.0326645951443123
Energy: 0.765728477076065
Energy: 1.0326645951443123
Energy: 0.7720411815789417
Energy: 0.8926392043311207
Energy: 0.8777706543343894
Energy: 0.892639170888116
Energy: 0.771183616233449
Energy: 1.0323523798734409
Energy: 0.7614655456787071
Energy: 1.0323523798741456
Energy: 0.7802153177285818
Energy: 0.9512534359880582
Energy: 0.7826738054488944
Energy: 0.951253435989468
Energy: 0.7595639379321796
Energy: 0.7912523169640083
Energy: 0.7814971468882975
Energy: 0.7912523169640083
Energy: 0.7812946836419896
Energy: 0.9525465647714382
Energy: 1.0630420568712504
Energy: 0.9525465647700284
Energy: 0.7640873598763765
Energy: 0.9096345575060146
Energy: 0.7815930948444588
Energy: 0.9096345575031951
Energy: 0.7810106554021856
Energy: 0.9514715445880326
Energy: 0.8943858571639159
Energy: 0.9514715445887376
Energy: 0.9032843988366767
Energy: 0.9658717528283616
Energy: 0.7615103833605472
Energy: 0.9658717528283616
Energy: 0.7811846572923566
Energy: 0.8509260542853392
Energy: 0.7813464810116056
Energy: 0.8509260542860442
Energy: 1.002721787695219
Energy: 0.965159814470751
Energy: 0.7602832556908214
Energy: 0.9651598144728656
Energy: 0.809953984749076
Energy: 0.7849462816252721
Energy: 0.7655224775840291
Energy: 0.7849462816252721
Energy: 1.019968245757586
Energy: 0.8498146905095754
Energy: 0.7608986428983326
Energy: 0.8498146905095754
Energy: 0.7775080247924536
Energy: 0.77107985827922
Energy: 0.7652830906737321
Energy: 0.7710798582799249
Energy: 0.7663724424496359
Energy: 0.8502784685721827
Energy: 0.7632807860016451
Energy: 0.8502784685721827
Energy: 0.7771807432931918
Energy: 0.8273896354815394
Energy: 0.7651818812409812
Energy: 0.8273896354815394
Energy: 0.7771563818177212
Energy: 0.831305279533209
Energy: 0.7906860284731418
Energy: 0.831305279533209
Energy: 0.7769800825899301
Energy: 0.8329425002417937
Energy: 0.7905524844210639
Energy: 0.8329425002410888
Energy: 0.7771144552967524
Energy: 0.8328929084460347
Energy: 0.7905787516905154
Energy: 0.8328929084460347
Energy: 0.7775587057875728
Energy: 0.8312813536152535
Energy: 0.7904083932065504
Energy: 0.8312813536145487
Energy: 0.7771078221482292
Energy: 0.8272507639867512
Energy: 0.7656839104330706
Energy: 0.8272507639867512
Energy: 0.7664077604126861
Energy: 0.8503147167210946
Energy: 0.7634823350455999
Energy: 0.8503147167217995
Energy: 0.7768040589098179
Energy: 0.7707269120627331
Energy: 0.7661224758651941
Energy: 0.770726912063438
Energy: 1.0201223975948015
Energy: 0.8500751882566029
Energy: 0.7605657218370301
Energy: 0.8500751882566029
Energy: 0.8101806269000642
Energy: 0.7849532622542158
Energy: 0.7632237699919475
Energy: 0.7849532622542158
Energy: 1.0025280517476045
Energy: 0.9657069105497645
Energy: 0.760275086005335
Energy: 0.9657069105497645
Energy: 0.7800455340889978
Energy: 0.8509963951301415
Energy: 0.7837235448037398
Energy: 0.8509963951301415
Energy: 0.9048584543445488
Energy: 0.9654098971047251
Energy: 0.7615111339243252
Energy: 0.9654098971054301
Energy: 0.7811941474018128
Energy: 0.9512485444327544
Energy: 0.9135303002775916
Energy: 0.9512485444369839
Energy: 0.7640471297037472
Energy: 0.9098180946065952
Energy: 0.7816123435734362
Energy: 0.9098181099207092
Energy: 0.7812264378696172
Energy: 0.9526401664891261
Energy: 1.0219137726798924
Energy: 0.9526401664764379
Energy: 0.7599650342857747
Energy: 0.7912192841725278
Energy: 0.7814999347119769
Energy: 0.791219284171823
Energy: 0.77996124139596
Energy: 0.9513892089049627
Energy: 1.0190270036624407
Energy: 0.9513892089035529
Energy: 0.7713082916497468
Energy: 1.0311536656665505
Energy: 0.7614730114502166
Energy: 1.0311536656658458

minimum gb energy = 0.7595639379321796 eV
minimum distance =  2.23385144855817 Angstroms
sigma value = 37


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

Energy: 0.7345043231573283
Energy: 0.7338405888147949
Energy: 0.7384614272164152
Energy: 0.7338405888147949
Energy: 1.101019431323125
Energy: 0.7332044041699555
Energy: 0.6983565328364221
Energy: 0.7332044041699555
Energy: 0.7069102304105042
Energy: 1.0105454633510298
Energy: 1.2834515097778807
Energy: 1.0105454633510298
Energy: 0.6944268162742969
Energy: 0.9202605600937077
Energy: 0.698466662508179
Energy: 0.9202605600949204
Energy: 0.6978255803620638
Energy: 0.919951588329966
Energy: 0.6929048227633898
Energy: 0.9199515883239023
Energy: 0.6894252425116018
Energy: 0.7332160739181498
Energy: 0.6949374466560417
Energy: 0.7332160739181498
Energy: 0.7210180870766667
Energy: 0.9540523678704959
Energy: 0.9055040405571426
Energy: 0.9540523678704959
Energy: 0.6933818053407678
Energy: 0.7342396705664498
Energy: 0.7370395212096883
Energy: 0.7342396705664498
Energy: 0.6977609301844028
Energy: 0.7332009760609981
Energy: 1.0125336443790904
Energy: 0.7332009760609981
Energy: 0.9813555459795407
Energy: 0.9950000503154851
Energy: 0.6951324373511542
Energy: 0.9950000503154851
Energy: 0.716518888602222
Energy: 0.9531349400502662
Energy: 0.6972699033203136
Energy: 0.9531349400502662
Energy: 0.9367500196673715
Energy: 0.7333524733951722
Energy: 0.6984551390094935
Energy: 0.7333524733951722
Energy: 0.6980720810251213
Energy: 0.7332704433086199
Energy: 0.6895011444020379
Energy: 0.7332704433086199
Energy: 0.900691278432902
Energy: 0.9532184172111777
Energy: 0.6976058604168075
Energy: 0.9532184172148158
Energy: 0.7330676356865582
Energy: 0.7708683486605271
Energy: 0.6971008790543368
Energy: 0.7708683486605271
Energy: 0.7333976358345777
Energy: 0.7334990037478174
Energy: 0.6991716376056609
Energy: 0.7334990037478174
Energy: 0.692220545784835
Energy: 0.8223337610274477
Energy: 0.6957698237477684
Energy: 0.8223337610274477
Energy: 0.6925985767020633
Energy: 0.7715872819172093
Energy: 0.6979923885495614
Energy: 0.7715872819172093
Energy: 0.7001519885002316
Energy: 0.7346824592122418
Energy: 0.6930683966827696
Energy: 0.7346824592122418
Energy: 0.6925536925375707
Energy: 0.7338857062351364
Energy: 0.6923870549819694
Energy: 0.7338857062351364

minimum gb energy = 0.6894252425116018 eV
minimum distance =  2.35064188951903 Angstroms
sigma value = 25


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

Energy: 0.6794833138187917
Energy: 0.6396863078896708
Energy: 0.6460762235266503
Energy: 0.6396863078896708
Energy: 0.9503986615765425
Energy: 0.8068465953311934
Energy: 0.6410940003073765
Energy: 0.8068465953311934
Energy: 0.6373350526976367
Energy: 0.6371035628428391
Energy: 0.8431162831360391
Energy: 0.6371035628428391
Energy: 0.7881761153630942
Energy: 0.8067450981773868
Energy: 0.643330250768092
Energy: 0.8067450981773868
Energy: 0.6419622290243968
Energy: 0.9618740309737057
Energy: 0.6175360534938058
Energy: 0.9618740309737057
Energy: 0.6173778848961003
Energy: 0.8076575327015396
Energy: 0.6436750197302877
Energy: 0.8076575327015396
Energy: 0.6431088642405489
Energy: 0.7906298593335174
Energy: 0.8232312490707573
Energy: 0.7906298593335174
Energy: 0.6150665950577763
Energy: 0.6789974909493299
Energy: 0.6386829934023605
Energy: 0.6789974909493299
Energy: 0.6423839434537444
Energy: 0.8072918238966863
Energy: 1.0108028875247548
Energy: 0.8072918238966863
Energy: 0.6171390215774598
Energy: 0.7911611980318556
Energy: 0.6808871138138927
Energy: 0.7911611980299617
Energy: 0.6432157638711862
Energy: 0.637326570830106
Energy: 0.9596819895666878
Energy: 0.637326570830106
Energy: 0.8627985614587795
Energy: 0.8927037067192874
Energy: 0.6387326052455269
Energy: 0.8927037067363333
Energy: 0.6424803071166177
Energy: 0.6569271215510027
Energy: 0.7867878920640835
Energy: 0.6569271215510027
Energy: 0.8328043596015994
Energy: 0.8562250670905133
Energy: 0.6436136732927371
Energy: 0.8562250670895662
Energy: 0.643241283068298
Energy: 0.637270385279304
Energy: 0.6216146960323606
Energy: 0.637270385279304
Energy: 0.8231289634581631
Energy: 0.8922033790091801
Energy: 0.6461487624460872
Energy: 0.8922033790072861
Energy: 0.6426509141624946
Energy: 0.6788369526674141
Energy: 0.6152129838278991
Energy: 0.6788369526683611
Energy: 0.8167084291197534
Energy: 0.806789494947909
Energy: 0.641102782562547
Energy: 0.806789494947909
Energy: 0.6847706610605159
Energy: 0.79069939124931
Energy: 0.6218914239903853
Energy: 0.79069939124931
Energy: 0.9548489502364252
Energy: 0.8950922691872467
Energy: 0.6464749092193915
Energy: 0.8950922691872467
Energy: 0.6425694231942782
Energy: 0.8916437827397398
Energy: 0.6179338329302015
Energy: 0.8916437827435277
Energy: 0.6370605478303573
Energy: 0.6569698990133789
Energy: 0.6439065411250464
Energy: 0.6569698990133789
Energy: 0.6432086122101743
Energy: 0.7077865895369096
Energy: 0.8359615743555772
Energy: 0.7077865895369096
Energy: 0.6216404443180709
Energy: 0.7520819446847854
Energy: 0.6460119103046905
Energy: 0.7520819446847854
Energy: 0.6413233662821839
Energy: 0.8911941091220076
Energy: 0.8228805027831719
Energy: 0.891194109640747
Energy: 0.6172108314901283
Energy: 0.6790774660863784
Energy: 0.6439174647435429
Energy: 0.6790774660863784

minimum gb energy = 0.6150665950577763 eV
minimum distance =  2.35336087615184 Angstroms
sigma value = 41


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

Energy: 0.8440667934426448
Energy: 0.5968107113834168
Energy: 0.7905158801225589
Energy: 0.5968107113834168
Energy: 1.079880355341983
Energy: 0.5826037970558836
Energy: 0.5749603113428009
Energy: 0.5826037970551071
Energy: 0.5954593840596726
Energy: 0.5727282015929908
Energy: 0.7598529807697326
Energy: 0.5727282015929908
Energy: 0.8300174845791394
Energy: 0.7106878779827088
Energy: 0.5747658391324111
Energy: 0.7106878779819322
Energy: 0.5710324301283932
Energy: 0.7346047835758827
Energy: 0.5680152037941985
Energy: 0.7346047835758827
Energy: 0.7140920272951357
Energy: 0.7097405924593263
Energy: 0.5749191955300765
Energy: 0.7097405924593263
Energy: 0.5741267790534241
Energy: 0.7096864610723576
Energy: 0.7461159332119964
Energy: 0.7096864610715813
Energy: 0.560102899301415
Energy: 0.595990989653915
Energy: 0.5719155764642909
Energy: 0.5959909896515858
Energy: 0.5770857300746595
Energy: 0.5968659498628963
Energy: 0.8957556100023426
Energy: 0.5968659497915043
Energy: 0.5673561231854557
Energy: 0.7045444631412766
Energy: 0.5962546623008331
Energy: 0.704544463139724
Energy: 0.5740335130403491
Energy: 0.5826408926533894
Energy: 0.9674034239704393
Energy: 0.5826408926541657
Energy: 0.5600099028303288
Energy: 0.721115871446239
Energy: 0.8444851292790944
Energy: 0.721115871446239
Energy: 0.5770789056171514
Energy: 0.7235817971723597
Energy: 1.0227392848918784
Energy: 0.7235817971708071
Energy: 0.7709231809368805
Energy: 0.6586027553021133
Energy: 0.5965858033795468
Energy: 0.6586027553028897
Energy: 0.5741534899792894
Energy: 0.5829008312800952
Energy: 0.8479218856520541
Energy: 0.5829008312800952
Energy: 0.7450949534977513
Energy: 0.7198417407778263
Energy: 0.5718771616350471
Energy: 0.7198417398411561
Energy: 0.5770505896766244
Energy: 0.5973310825305774
Energy: 0.7017080988353341
Energy: 0.5973310825305774
Energy: 0.7402941158972254
Energy: 0.6590382381901387
Energy: 0.5749641785567335
Energy: 0.6590382381901387
Energy: 0.5741737460076826
Energy: 0.5960326236907354
Energy: 0.5729326035885667
Energy: 0.5960326236907354
Energy: 0.7438936823831961
Energy: 0.7197630512786313
Energy: 0.5779830976069629
Energy: 0.719763051276302
Energy: 0.598696721087424
Energy: 0.5961470405605245
Energy: 0.5592553713887832
Energy: 0.5961470405605245
Energy: 0.9642238620904565
Energy: 0.6122372367158221
Energy: 0.5748447922966967
Energy: 0.6122372367158221
Energy: 0.8446078553616192
Energy: 0.7205739394173053
Energy: 0.5605492790530727
Energy: 0.7205739395655237
Energy: 0.8641926208556275
Energy: 0.7215081517828907
Energy: 0.5779826382879995
Energy: 0.7215081517836671
Energy: 0.5987054390920763
Energy: 0.6565231131328598
Energy: 0.5717904662967865
Energy: 0.6565231131336363
Energy: 0.8458330578726776
Energy: 0.6118300454379766
Energy: 0.5749930817763144
Energy: 0.6118300454364238
Energy: 0.5743195010562985
Energy: 0.720097703795173
Energy: 0.7522719597239313
Energy: 0.720097703795173
Energy: 0.5711155659365145
Energy: 0.5961247856696824
Energy: 0.5779939802939202
Energy: 0.5961247856696824
Energy: 0.5771772830074681
Energy: 0.6567705977115543
Energy: 0.744308929932506
Energy: 0.6567705977115543
Energy: 0.5629825096911716
Energy: 0.6315757477575543
Energy: 0.5778389914416577
Energy: 0.6315757478289462
Energy: 0.5792274897286208
Energy: 0.7202496749419749
Energy: 0.7448842120830674
Energy: 0.7202496749419749
Energy: 0.5599275165428763
Energy: 0.5965441797462879
Energy: 0.6024272910112792
Energy: 0.5965441797462879

minimum gb energy = 0.5592553713887832 eV
minimum distance =  2.34921129991108 Angstroms
sigma value = 15


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

Energy: 0.7671658208409686
Energy: 0.541093788064102
Energy: 0.8372618105190042
Energy: 0.5410937880634443
Energy: 0.9751502667826324
Energy: 0.5385324674880477
Energy: 0.5398297655950288
Energy: 0.538532467498571
Energy: 0.5596235478917749
Energy: 0.5382131397392383
Energy: 0.9932467629458931
Energy: 0.5382131397385805
Energy: 0.8721850678142546
Energy: 0.5392580162443003
Energy: 0.5398251183844783
Energy: 0.5392580162443003
Energy: 0.5372082951961005
Energy: 0.7404813989448957
Energy: 0.5344583900865667
Energy: 0.7404813989448957
Energy: 0.7689491625281298
Energy: 0.5384331583481937
Energy: 0.5395043312601204
Energy: 0.5384331583481937
Energy: 0.5391859907624483
Energy: 0.6540894119054842
Energy: 0.669123739012876
Energy: 0.6540894118975917
Energy: 0.6300825865235006
Energy: 0.5494274796243245
Energy: 0.5398156177953042
Energy: 0.5494274796243245
Energy: 0.5409976803052851
Energy: 0.5503791034499513
Energy: 0.7109994076060357
Energy: 0.550379103450609
Energy: 0.5320052397672042
Energy: 0.5380520780389445
Energy: 0.5377168303676477
Energy: 0.5380520780382868
Energy: 0.5392017696816878
Energy: 0.5392399740574737
Energy: 0.8933901756341784
Energy: 0.5392399740561583
Energy: 0.518949000429773
Energy: 0.5383386925252709
Energy: 0.5605651975009007
Energy: 0.5383386925246132
Energy: 0.5413271078022871
Energy: 0.5506909529990123
Energy: 1.0195554241561067
Energy: 0.5506909529963815
Energy: 0.5154189313882162
Energy: 0.5387193831706655
Energy: 0.7671076998568569
Energy: 0.5387193831706655
Energy: 0.5393102664754577
Energy: 0.644316835936613
Energy: 0.970633860092235
Energy: 0.6443168359964642
Energy: 0.6997290575376761
Energy: 0.6481842212012411
Energy: 0.560593625111573
Energy: 0.6481842212012411
Energy: 0.5411256892135912
Energy: 0.5500797226011531
Energy: 0.9152851736911389
Energy: 0.5500797226024685
Energy: 0.6899387394499532
Energy: 0.7376431507331805
Energy: 0.5377366251205546
Energy: 0.7376431507331805
Energy: 0.5392652039496296
Energy: 0.5375868494342835
Energy: 0.7643551560232089
Energy: 0.5375868494336258
Energy: 0.6843103445155607
Energy: 0.6452274561049807
Energy: 0.5397781571542595
Energy: 0.6452274561030075
Energy: 0.5412793847979108
Energy: 0.5601004658282116
Energy: 0.7079664466290689
Energy: 0.5601004658216345
Energy: 0.6887285013659672
Energy: 0.5486954192969972
Energy: 0.543339621849953
Energy: 0.5486954192969972
Energy: 0.5393290814152741
Energy: 0.5375030670109614
Energy: 0.5360832730872698
Energy: 0.5375030670109614
Energy: 0.892258386566718
Energy: 0.6456800431590329
Energy: 0.5397930213199411
Energy: 0.6456800431662675
Energy: 0.5614089832843441
Energy: 0.5599599513210105
Energy: 0.533017727084772
Energy: 0.5599599513203528
Energy: 0.8807958622113613
Energy: 0.5494520212101968
Energy: 0.5437200695581506
Energy: 0.5494520212101968
Energy: 0.7681466695944674
Energy: 0.5385457823854372
Energy: 0.5296479627698814
Energy: 0.5385457823854372
Energy: 0.9713578737724553
Energy: 0.6433761336677027
Energy: 0.5397784198427
Energy: 0.6433761337183461
Energy: 0.5617209847825402
Energy: 0.7588261533089043
Energy: 0.5310364163215843
Energy: 0.758826153309562
Energy: 0.7751537364340815
Energy: 0.5499376629726102
Energy: 0.5435026454767811
Energy: 0.5499376629726102
Energy: 0.5392813895012766
Energy: 0.7360825397939879
Energy: 0.6888396295048186
Energy: 0.7360825397946457
Energy: 0.7631822498953584
Energy: 0.5375433252025192
Energy: 0.539901478073341
Energy: 0.5375433252025192
Energy: 0.5412039442580492
Energy: 0.6110006734738107
Energy: 0.6814050321248252
Energy: 0.6110006734823609
Energy: 0.5224766193574316
Energy: 0.5598603375694557
Energy: 0.5433078314153745
Energy: 0.5598603375694557
Energy: 0.5262292478420386
Energy: 0.5885560892053526
Energy: 0.6850694613116047
Energy: 0.5885560891975199
Energy: 0.5173689673798805
Energy: 0.5376106142044018
Energy: 0.5416742737303882
Energy: 0.5376106142044018
Energy: 0.5412563934046456
Energy: 0.7584535847599768
Energy: 0.8893821151938381
Energy: 0.7584535847599768

minimum gb energy = 0.5154189313882162 eV
minimum distance =  2.33517295457398 Angstroms
sigma value = 85


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

Energy: 0.7820903680975249
Energy: 0.5381984052305636
Energy: 0.6218753681884022
Energy: 0.5381984052282819
Energy: 1.0732308999646611
Energy: 0.5276513472402103
Energy: 0.49460380235423557
Energy: 0.5276513472402103
Energy: 0.750399495529615
Energy: 0.5333162328457108
Energy: 0.5996446390390595
Energy: 0.5333162328457108
Energy: 0.9035077434687957
Energy: 0.5238302683551326
Energy: 0.4946303595995698
Energy: 0.523830268355703
Energy: 0.5724189383898535
Energy: 0.5015939203739586
Energy: 0.5050009481851393
Energy: 0.5015939203545641
Energy: 0.8084633296955231
Energy: 0.5321733583908613
Energy: 0.4945254282306549
Energy: 0.5321733583908613
Energy: 0.5422044224317355
Energy: 0.6240768777519226
Energy: 0.5642191586774633
Energy: 0.6240768777519226
Energy: 0.7154338446475959
Energy: 0.521965017657763
Energy: 0.5015178437095356
Energy: 0.521965017657763
Energy: 0.5012064264060296
Energy: 0.5937180325075978
Energy: 0.6535161197491395
Energy: 0.5937180325075978
Energy: 0.6173039621367408
Energy: 0.5345256438301389
Energy: 0.5429336499050115
Energy: 0.5345256438301389
Energy: 0.4959660920009481
Energy: 0.5229584758676736
Energy: 0.8432015425983258
Energy: 0.5229584758676736
Energy: 0.5137210806505208
Energy: 0.5289162653190883
Energy: 0.5730055910830234
Energy: 0.5289162653190883
Energy: 0.49420668611427465
Energy: 0.5063349492379602
Energy: 0.9618713149015747
Energy: 0.5063349492379602
Energy: 0.4640502658975772
Energy: 0.5332844904197902
Energy: 0.7498255241956698
Energy: 0.5332844904192199
Energy: 0.4950563328777506
Energy: 0.5228444440485588
Energy: 0.9969962892393304
Energy: 0.5228444440485588
Energy: 0.4614205703939968
Energy: 0.529177297317753
Energy: 0.7242131472067345
Energy: 0.529177297317753
Energy: 0.4941102651311494
Energy: 0.5077139013624924
Energy: 0.9491266764448725
Energy: 0.5077139013624924
Energy: 0.6098534871520025
Energy: 0.5335117298453086
Energy: 0.7498712715778002
Energy: 0.5335117298447382
Energy: 0.49626479198884454
Energy: 0.5235982593790521
Energy: 0.9029562043184136
Energy: 0.5235982593773408
Energy: 0.605645068257424
Energy: 0.521796833343912
Energy: 0.5730490793035505
Energy: 0.5217968333598839
Energy: 0.49501321129379033
Energy: 0.5148241895923359
Energy: 0.8084037933647845
Energy: 0.5148241895923359
Energy: 0.6491794532873507
Energy: 0.5230209104128273
Energy: 0.5427778548511564
Energy: 0.5230209104128273
Energy: 0.5029648642013258
Energy: 0.5218405325459403
Energy: 0.7153568609912304
Energy: 0.5218405325465107
Energy: 0.6617067226376775
Energy: 0.5397223570030079
Energy: 0.5025571727571533
Energy: 0.5397223570030079
Energy: 0.544356507641968
Energy: 0.5649375528044862
Energy: 0.6169884643090685
Energy: 0.5649375528044862
Energy: 0.8437511566541039
Energy: 0.5657164665963649
Energy: 0.4963003939884863
Energy: 0.5657164665832709
Energy: 0.5743027628745079
Energy: 0.5220202031172948
Energy: 0.513758583986717
Energy: 0.5220202030699751
Energy: 0.8508557868209516
Energy: 0.5397849674587135
Energy: 0.49464015121034705
Energy: 0.5397849674587135
Energy: 0.7494160137939401
Energy: 0.5749044373892374
Energy: 0.512573926737123
Energy: 0.5749044373903782
Energy: 0.9968339309452529
Energy: 0.6069170834824505
Energy: 0.49651442511168975
Energy: 0.6069170834824505
Energy: 0.7818064792051607
Energy: 0.5314041661785243
Energy: 0.4613982043735654
Energy: 0.5314041661779538
Energy: 0.924211988248671
Energy: 0.5399975560781879
Energy: 0.4946455206078365
Energy: 0.5399975560781879
Energy: 0.7494532665562074
Energy: 0.57481210195013
Energy: 0.46323393321129974
Energy: 0.57481210195013
Energy: 0.9027570536389155
Energy: 0.564621233467287
Energy: 0.49871565657251576
Energy: 0.5646212334598714
Energy: 0.5743960055604613
Energy: 0.5232844121275531
Energy: 0.6056186963476557
Energy: 0.5232844121275531
Energy: 0.7312925505834468
Energy: 0.5496478179541893
Energy: 0.4964724212919296
Energy: 0.5496478179536188
Energy: 0.5443718223091362
Energy: 0.6069127490995668
Energy: 0.6526581550808127
Energy: 0.6069127490995668
Energy: 0.7152809823704384
Energy: 0.5218371440809321
Energy: 0.504103913123624
Energy: 0.5218371440809321
Energy: 0.5028711659114591
Energy: 0.5220382479361821
Energy: 0.661551721512805
Energy: 0.5220382479367526
Energy: 0.5265436497279677
Energy: 0.5586152689084762
Energy: 0.5462848793684594
Energy: 0.5586152689084762
Energy: 0.4937679078137858
Energy: 0.6070873335725772
Energy: 0.8435407318012945
Energy: 0.6070873335748589
Energy: 0.5136148219009146
Energy: 0.521798324513828
Energy: 0.5769937915145844
Energy: 0.521798324513828
Energy: 0.49605864788476367
Energy: 0.5219498956654537
Energy: 0.850779702822914
Energy: 0.5219498956660241

minimum gb energy = 0.4613982043735654 eV
minimum distance =  2.35867654877994 Angstroms
sigma value = 113


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

Energy: 0.015244942491880405
Energy: 0.015959413382895034
Energy: 0.7104993699232692
Energy: 0.015959413382895034
Energy: 0.7098576659060674
Energy: 0.26358715175807207
Energy: 0.26389450834404676
Energy: 0.26358715175807207
Energy: 0.015244942491880405
Energy: 0.015959413382895034
Energy: 0.7104990554340316
Energy: 0.015959413383333548
Energy: 0.7098576659056287
Energy: 0.26358715175807207
Energy: 0.26389450834404676
Energy: 0.2635871517585106
Energy: 0.015244942491880405
Energy: 0.015959413383333548
Energy: 0.7104994628224867
Energy: 0.015959413383333548
Energy: 0.7098576659060674
Energy: 0.2635871517585106
Energy: 0.26389450834404676
Energy: 0.26358715175807207

minimum gb energy = 0.015244942491880405 eV
minimum distance =  2.55700027205981 Angstroms
sigma value = 1