Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.635521709918977
cohesive_energy=3.5250006151892697
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.576431369806444 eV

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

Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.8943561559573197
Energy: 0.9079631385177557
Energy: 0.8943561559570095
Energy: 0.9079631385177557
Energy: 0.8943561559573197
Energy: 0.9079631385177557
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.8943561559570095
Energy: 0.9079631385174456
Energy: 0.8943561559570095
Energy: 0.9079631385177557
Energy: 0.8943561559570095
Energy: 0.9079631385177557
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.013478317845286624
Energy: 0.8943561559570095
Energy: 0.8943561559570095
Energy: 0.9079631385177557
Energy: 0.8943561559570095
Energy: 0.9079631385177557
Energy: 0.8943561559570095
Energy: 0.9079631385177557

minimum gb energy = 0.013478317845286624 eV
minimum distance =  2.30850774928815 Angstroms
sigma value = 1


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

Energy: 0.9438091880891629
Energy: 0.9021385121884931
Energy: 0.9438091880891629
Energy: 0.9021385121884931
Energy: 0.9438091880891629
Energy: 0.9021385121884931
Energy: 0.746073087123136
Energy: 0.8503157795471051
Energy: 0.7464352961501018
Energy: 0.8503157795471051
Energy: 0.7223561329197334
Energy: 0.8503157795463587
Energy: 0.9178783108300778
Energy: 0.9404798145684133
Energy: 0.9178783108300778
Energy: 0.9404798145684133
Energy: 0.9178783108300778
Energy: 0.9404798145684133
Energy: 1.0190815587577793
Energy: 0.8844460794447571
Energy: 1.0190815587577793
Energy: 0.8844460794447571
Energy: 1.0190815587577793
Energy: 0.8844460794447571
Energy: 0.9059946739913335
Energy: 0.9670954762408907
Energy: 0.9059946739905873
Energy: 0.9670954762408907
Energy: 0.9059946739905873
Energy: 0.9670954762408907
Energy: 0.9370468078624304
Energy: 0.8549167196709477
Energy: 0.9370468078624304
Energy: 0.8549167196709477
Energy: 0.9370468078624304
Energy: 0.8549167196709477
Energy: 0.8959328895149521
Energy: 0.9239562355351782
Energy: 0.8959328895149521
Energy: 0.9239562355359247
Energy: 0.8959328895149521
Energy: 0.9239562355351782
Energy: 0.8786838025799527
Energy: 1.0046712846930148
Energy: 0.8786838025806992
Energy: 1.004671284693761
Energy: 0.8786838025799527
Energy: 1.004671284693761
Energy: 0.9613029131230435
Energy: 0.9298925792435057
Energy: 0.9613029131230435
Energy: 0.9298925792435057
Energy: 0.9613029131230435
Energy: 0.9298925792442521
Energy: 0.8414470969949023
Energy: 0.9901451505794026
Energy: 0.8414470969949023
Energy: 0.990145150576417
Energy: 0.8414470969949023
Energy: 0.9901451505704456
Energy: 1.0788546090256605
Energy: 0.8543977653778617
Energy: 1.078854609024914
Energy: 0.8543977653778617
Energy: 1.0788546090256605
Energy: 0.8543977653778617
Energy: 0.8351756581967036
Energy: 0.9050601257607356
Energy: 0.8351756581959572
Energy: 0.9050249639066014
Energy: 0.8351756581967036
Energy: 0.9049613624261968
Energy: 1.0428334724440886
Energy: 0.8279514093767164
Energy: 1.0428334724440886
Energy: 0.8279514093767164
Energy: 1.0428334724418493
Energy: 0.8279514093767164
Energy: 0.8717285847431446
Energy: 0.9589233558633565
Energy: 0.8717285847431446
Energy: 0.9589233558633565
Energy: 0.8717285847431446
Energy: 0.9589233558641029
Energy: 1.061679846284769
Energy: 0.8468082746034108
Energy: 1.061679846284769
Energy: 0.8468082746034108
Energy: 1.061679846284769
Energy: 0.8468082746034108
Energy: 1.060900548136382
Energy: 0.9536059385265263
Energy: 1.060900548136382
Energy: 0.9536059385242871
Energy: 1.060900548136382
Energy: 0.9536059385227945
Energy: 0.9122687238370408
Energy: 0.9177767992224973
Energy: 0.9122687238370408
Energy: 0.9177767992217509
Energy: 0.9122687238370408
Energy: 0.9177767992217509
Energy: 0.912264584553014
Energy: 0.8962994105009316
Energy: 0.912264584553014
Energy: 0.8962994105009316
Energy: 0.9122645845537601
Energy: 0.8962994105009316
Energy: 0.8398481408338544
Energy: 0.8838041781480293
Energy: 0.8398481408338544
Energy: 0.8838041781480293
Energy: 0.839848140833108
Energy: 0.8838041781480293
Energy: 0.9532431187497469
Energy: 0.8552026729766726
Energy: 0.9532431187497469
Energy: 0.8552026729766726
Energy: 0.9532431187497469
Energy: 0.8552026729766726
Energy: 0.8613293881168981
Energy: 1.0212104690424668
Energy: 0.8613293881168981
Energy: 1.0212104690424668
Energy: 0.8613293881168981
Energy: 1.021210469043213
Energy: 0.9390589905738215
Energy: 0.9258161603523283
Energy: 0.9390589905738215
Energy: 0.9258161603523283
Energy: 0.9390589905738215
Energy: 0.9258161603523283
Energy: 0.8285753946733126
Energy: 1.1045103220194186
Energy: 0.8285753946733126
Energy: 1.1045103220194186
Energy: 0.8285753946733126
Energy: 1.1045103220194186

minimum gb energy = 0.7223561329197334 eV
minimum distance =  2.33157867383194 Angstroms
sigma value = 33


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

Energy: 1.064634718040223
Energy: 0.9652497552173155
Energy: 1.064634718040223
Energy: 0.9652497552173155
Energy: 1.064634718040223
Energy: 0.9652497552173155
Energy: 1.024574265015996
Energy: 0.8854803839308105
Energy: 1.024574265015996
Energy: 0.8854803839308105
Energy: 1.024574265015996
Energy: 0.8854803839308105
Energy: 0.8684464798090714
Energy: 0.8860012027170001
Energy: 0.8684464798090714
Energy: 0.8860012027170001
Energy: 0.8684464798090714
Energy: 0.8860012027170001
Energy: 0.9492929495282652
Energy: 0.9398740524217783
Energy: 0.9492929495282652
Energy: 0.9398740524217783
Energy: 0.9492929495282652
Energy: 0.9398740524217783
Energy: 0.9153904185592586
Energy: 0.9387341389652195
Energy: 0.9153904185592586
Energy: 0.9387341389647951
Energy: 0.9153904185592586
Energy: 0.9387341389647951
Energy: 0.8602361050380687
Energy: 0.8675803384128694
Energy: 0.8602361050380687
Energy: 0.8675803384128694
Energy: 0.8602361050380687
Energy: 0.8675803384128694
Energy: 0.9617702692284055
Energy: 0.9967262139785397
Energy: 0.9617702692284055
Energy: 0.9967262139789643
Energy: 0.9617702692284055
Energy: 0.9967262139785397
Energy: 0.8288468466486755
Energy: 1.0449485174558795
Energy: 0.8288468466486755
Energy: 1.0449485174546058
Energy: 0.8288468466482509
Energy: 1.044948517453757
Energy: 0.9343513774457808
Energy: 0.8702575969989385
Energy: 0.9343513774432334
Energy: 0.8702575969989385
Energy: 0.9343513774364408
Energy: 0.8702575969989385
Energy: 0.8403131341147047
Energy: 1.001581881238527
Energy: 0.8403131341147047
Energy: 1.0015818812389516
Energy: 0.8403131341147047
Energy: 1.001581881238527
Energy: 1.0119056224221938
Energy: 0.8408925426017702
Energy: 1.0119056224217695
Energy: 0.8408925426017702
Energy: 1.0119056224213447
Energy: 0.8408925426017702
Energy: 0.868332257823797
Energy: 0.9116214477071443
Energy: 0.8683322578233723
Energy: 0.9116214477071443
Energy: 0.868332257823797
Energy: 0.9116214477071443
Energy: 0.9348825217267314
Energy: 0.8375817690130094
Energy: 0.9348825217267314
Energy: 0.8375817690130094
Energy: 0.9348825217267314
Energy: 0.8375817690134338
Energy: 0.9386287535132949
Energy: 0.966174516233289
Energy: 0.9386287535132949
Energy: 0.966174516233289
Energy: 0.9386287535128705
Energy: 0.966174516233289
Energy: 0.944809749646246
Energy: 0.8852463111146707
Energy: 0.9448097496466705
Energy: 0.8852463111146707
Energy: 0.944809749646246
Energy: 0.8852463111146707
Energy: 0.8678476023953609
Energy: 0.8851376115158175
Energy: 0.8678476023953609
Energy: 0.8851376115158175
Energy: 0.8678476023957855
Energy: 0.8851376115158175
Energy: 0.9642413515033311
Energy: 0.9413203653124155
Energy: 0.9642413515033311
Energy: 0.9413203653124155
Energy: 0.9642413515029065
Energy: 0.9413203653124155
Energy: 0.9155859920438219
Energy: 0.8678476863868948
Energy: 0.9155859920438219
Energy: 0.8678476863868948
Energy: 0.9155859920438219
Energy: 0.8678476863868948
Energy: 0.8617079212835335
Energy: 0.8856662236753633
Energy: 0.8617079212835335
Energy: 0.8856662236749389
Energy: 0.8617079212831089
Energy: 0.8856662236753633
Energy: 0.9647406220626543
Energy: 0.9950719806750545
Energy: 0.9647406220626543
Energy: 0.9950719806750545
Energy: 0.9647406220626543
Energy: 0.9950719806750545
Energy: 0.827112297782694
Energy: 1.052319130831674
Energy: 0.8271122977831186
Energy: 1.052319130831674
Energy: 0.8271122977831186
Energy: 1.0523191308320985
Energy: 0.8846526201513113
Energy: 0.8708016338748543
Energy: 0.8846526201513113
Energy: 0.8708016338744299
Energy: 0.8846526201513113
Energy: 0.8708016338748543
Energy: 0.8402461125434633
Energy: 0.999665142818595
Energy: 0.8402461125434633
Energy: 0.9996651428168969
Energy: 0.8402461125434633
Energy: 0.9996651428143496
Energy: 1.0116864150157487
Energy: 0.9204961194598034
Energy: 1.0116864150157487
Energy: 0.9204961194598034
Energy: 1.0116864150157487
Energy: 0.9204961194598034
Energy: 0.8680120820991413
Energy: 0.8617250334041897
Energy: 0.8680120820991413
Energy: 0.8617250334041897
Energy: 0.8680120820991413
Energy: 0.8617250334041897
Energy: 1.0470108640807239
Energy: 0.9573729787372338
Energy: 1.0470108640807239
Energy: 0.9573729787372338
Energy: 1.0470108640802993
Energy: 0.9573729787372338
Energy: 1.0464448914309485
Energy: 0.959973060516132
Energy: 1.0464448914313733
Energy: 0.959973060516132
Energy: 1.0464448914313733
Energy: 0.9599730605157075
Energy: 0.8678833764671002
Energy: 0.8869899946800708
Energy: 0.8678833764671002
Energy: 0.8869899946800708
Energy: 0.8678833764675249
Energy: 0.8869899946800708
Energy: 0.998834181018191
Energy: 0.8871734709445271
Energy: 0.998834181018191
Energy: 0.8871734709445271
Energy: 0.998834181018191
Energy: 0.8871734709445271
Energy: 0.8402406064460547
Energy: 1.0376854068466557
Energy: 0.8402406064460547
Energy: 1.0376854068470802
Energy: 0.8402406064460547
Energy: 1.0376854068466557
Energy: 0.9439185424196691
Energy: 0.8705616802295675
Energy: 0.9439185424196691
Energy: 0.8705616802295675
Energy: 0.9439185424192447
Energy: 0.8705616802299921
Energy: 0.8390795241849544
Energy: 0.9955756115137454
Energy: 0.8390795241849544
Energy: 0.9955639475914959
Energy: 0.8390795241849544
Energy: 0.9955551305310671
Energy: 0.9636627371346198
Energy: 0.995219731616361
Energy: 0.9636627371346198
Energy: 0.9952197316159365
Energy: 0.9636627371346198
Energy: 0.995219731616361
Energy: 0.8867174732563214
Energy: 0.9447028765323322
Energy: 0.8867174732563214
Energy: 0.9447028765323322
Energy: 0.8867174732563214
Energy: 0.9447028765323322
Energy: 0.8852457006569725
Energy: 0.8677187858207817
Energy: 0.8852457006565481
Energy: 0.8677187858212061
Energy: 0.8852457006569725
Energy: 0.8677187858212061
Energy: 0.9400029131886335
Energy: 0.9466952464712346
Energy: 0.9400029131886335
Energy: 0.9466952464712346
Energy: 0.9400029131886335
Energy: 0.9466952464712346
Energy: 0.8676010139820707
Energy: 0.9153175163459796
Energy: 0.8676010139820707
Energy: 0.9153175163464041
Energy: 0.8676010139816462
Energy: 0.9153175163459796
Energy: 0.8675624678081197
Energy: 0.8603741719072912
Energy: 0.8675624678081197
Energy: 0.8603741719072912
Energy: 0.8675624678081197
Energy: 0.8603741719072912
Energy: 0.9388970926008449
Energy: 0.9575533851544829
Energy: 0.9388970926008449
Energy: 0.9575533851549075
Energy: 0.9388970926008449
Energy: 0.9575533851544829
Energy: 1.0488227021391405
Energy: 0.8254099700142875
Energy: 1.04882270210564
Energy: 0.8254099700147121
Energy: 1.0488227020241654
Energy: 0.8254099700147121
Energy: 0.868366337661025
Energy: 0.8746582595617834
Energy: 0.868366337660176
Energy: 0.8746582595617834
Energy: 0.8683663376606005
Energy: 0.8746582595617834

minimum gb energy = 0.8254099700142875 eV
minimum distance =  2.40737715393487 Angstroms
sigma value = 51


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

Energy: 0.934148539583175
Energy: 0.939230215688798
Energy: 0.934148539583175
Energy: 0.9392302156878145
Energy: 0.934148539583175
Energy: 0.939230215688798
Energy: 0.9930238192590565
Energy: 0.8878392590478011
Energy: 0.9930238192590565
Energy: 0.8878392590478011
Energy: 0.9930238192590565
Energy: 0.8878392590478011
Energy: 0.8833940536719913
Energy: 0.9232171866522454
Energy: 0.8833940536719913
Energy: 0.923217186650278
Energy: 0.8833940536719913
Energy: 0.9232171866473717
Energy: 0.9290992799462655
Energy: 0.8334000754112247
Energy: 0.9290992799462655
Energy: 0.8334000754112247
Energy: 0.9290992799462655
Energy: 0.8334000754102411
Energy: 0.9484724729093393
Energy: 0.8994003084424477
Energy: 0.9484724729093393
Energy: 0.8994003084424477
Energy: 0.9484724729083556
Energy: 0.8994003084424477
Energy: 0.9463761179872195
Energy: 0.8990400741507355
Energy: 0.9463761179872195
Energy: 0.8990400741507355
Energy: 0.9463761179872195
Energy: 0.8990400741507355
Energy: 0.9099910963383785
Energy: 0.8990069377223256
Energy: 0.9099910963383785
Energy: 0.8990069377223256
Energy: 0.9099910963383785
Energy: 0.8990069377223256
Energy: 0.8621772080470477
Energy: 0.9001185756676618
Energy: 0.8621772080470477
Energy: 0.9001185756676618
Energy: 0.8621772080470477
Energy: 0.9001185756676618
Energy: 1.085985577280515
Energy: 0.8296954182712871
Energy: 1.085985577280515
Energy: 0.8296954182712871
Energy: 1.085985577280515
Energy: 0.8296954182712871
Energy: 0.858420658037548
Energy: 1.0788687968920343
Energy: 0.858420658037548
Energy: 1.0788687968920343
Energy: 0.858420658037548
Energy: 1.0788687968920343
Energy: 1.0140364378117597
Energy: 0.8311236028996143
Energy: 1.014036437564993
Energy: 0.8311236028986305
Energy: 1.0140364368884973
Energy: 0.8311236028986305
Energy: 0.9375145822795089
Energy: 0.9413635107187229
Energy: 0.9375145822795089
Energy: 0.9413635107187229
Energy: 0.9375145822795089
Energy: 0.9413635107187229
Energy: 1.080672077824663
Energy: 0.8885920009254733
Energy: 1.080672077824663
Energy: 0.8885920009254733
Energy: 1.0806720778236796
Energy: 0.8885920009254733
Energy: 0.8834683960774764
Energy: 0.8882191276884154
Energy: 0.8834683960784602
Energy: 0.8882191276884154
Energy: 0.8834683960774764
Energy: 0.8882191276884154
Energy: 0.9418476644850557
Energy: 0.9400160262747396
Energy: 0.9418476644850557
Energy: 0.9400160262747396
Energy: 0.9418476644850557
Energy: 0.9400160262747396
Energy: 0.9469287982383267
Energy: 0.8992127731440757
Energy: 0.9469287982383267
Energy: 0.8992127731440757
Energy: 0.9469287982383267
Energy: 0.8992127731440757
Energy: 0.947938189247458
Energy: 0.976874297839218
Energy: 0.947938189247458
Energy: 0.976874297839218
Energy: 0.9479381892464744
Energy: 0.976874297839218
Energy: 0.9112269688932159
Energy: 0.9027870892371543
Energy: 0.9112269688932159
Energy: 0.9027870892371543
Energy: 0.9112269688932159
Energy: 0.9027870892371543

minimum gb energy = 0.8296954182712871 eV
minimum distance =  2.28411086951244 Angstroms
sigma value = 19


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

Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.9021577089651904
Energy: 0.9389109880668213
Energy: 0.9021577089651904
Energy: 0.9389109880674048
Energy: 0.9021577089651904
Energy: 0.9389109880674048
Energy: 0.7394443157974308
Energy: 0.937121743547958
Energy: 0.7394443157980142
Energy: 0.9371217435485414
Energy: 0.7394443157974308
Energy: 0.9371217435485414
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.8276540241711946
Energy: 0.7393941400696693
Energy: 0.7681961212602156
Energy: 0.7855906241626555
Energy: 0.7681961212596321
Energy: 0.7855906241626555
Energy: 0.7681961212602156
Energy: 0.785590624162072
Energy: 0.7681617053116095
Energy: 0.7855742835091674
Energy: 0.768161705312193
Energy: 0.7855742835091674
Energy: 0.7681617053116095
Energy: 0.7855742835091674
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569161498
Energy: 0.7855131466576426
Energy: 0.9021577089651904
Energy: 0.9389109880674048
Energy: 0.9021577089651904
Energy: 0.9389109880668213
Energy: 0.9021577089651904
Energy: 0.9389109880668213
Energy: 0.7394443157974308
Energy: 0.9371217435485414
Energy: 0.7394443157974308
Energy: 0.9371217435485414
Energy: 0.7394443157974308
Energy: 0.9371217435485414
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.7681961212602156
Energy: 0.7855906241626555
Energy: 0.7681961212602156
Energy: 0.785590624162072
Energy: 0.7681961212602156
Energy: 0.7855906241626555
Energy: 0.7681617053116095
Energy: 0.7855742835091674
Energy: 0.7681617053116095
Energy: 0.7855742835091674
Energy: 0.7681617053116095
Energy: 0.7855742835091674
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.9021577089651904
Energy: 0.9389109880674048
Energy: 0.9021577089651904
Energy: 0.9389109880674048
Energy: 0.9021577089651904
Energy: 0.9389109880668213
Energy: 0.7394443157980142
Energy: 0.9371217435485414
Energy: 0.7394443157974308
Energy: 0.937121743547958
Energy: 0.7394443157974308
Energy: 0.9371217435485414
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.8276540241706111
Energy: 0.7393941400696693
Energy: 0.7681961212602156
Energy: 0.7855906241626555
Energy: 0.7681961212602156
Energy: 0.7855906241626555
Energy: 0.7681961212596321
Energy: 0.785590624162072
Energy: 0.7681617053116095
Energy: 0.7855742835091674
Energy: 0.7681617053116095
Energy: 0.7855742835091674
Energy: 0.7681617053116095
Energy: 0.785574283509751
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.8276579437133118
Energy: 0.7393717095699545
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.7394193645384867
Energy: 0.9370625886995242
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.9022713692502862
Energy: 0.9386425124927052
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.7878719569155662
Energy: 0.7855131466576426
Energy: 0.9021577089651904
Energy: 0.9389109880668213
Energy: 0.9021577089651904
Energy: 0.9389109880674048
Energy: 0.9021577089651904
Energy: 0.9389109880674048
Energy: 0.7394443157974308
Energy: 0.937121743547958
Energy: 0.7394443157980142
Energy: 0.9371217435485414
Energy: 0.7394443157974308
Energy: 0.937121743547958

minimum gb energy = 0.7393717095699545 eV
minimum distance =  2.30614575949367 Angstroms
sigma value = 27


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

Energy: 0.785050189703226
Energy: 0.754132814224274
Energy: 0.785050189703226
Energy: 0.754132814224274
Energy: 0.785050189703226
Energy: 0.754132814224274
Energy: 0.9830394964187165
Energy: 0.7787007514970001
Energy: 0.9830394964187165
Energy: 0.7787007514970001
Energy: 0.9830394964172872
Energy: 0.7787007514970001
Energy: 0.7680748108818206
Energy: 0.8676579897187693
Energy: 0.7680748108818206
Energy: 0.8676579897187693
Energy: 0.7680748108818206
Energy: 0.8676579897187693
Energy: 0.992175635472841
Energy: 0.7316818534387991
Energy: 0.992175635472841
Energy: 0.7316818534402284
Energy: 0.992175635472841
Energy: 0.7316818534402284
Energy: 0.8528538579044352
Energy: 0.7316999705926784
Energy: 0.8528538579044352
Energy: 0.7316999705926784
Energy: 0.8528538579044352
Energy: 0.7316999705926784
Energy: 0.870484297541945
Energy: 0.9117479295222649
Energy: 0.870484297541945
Energy: 0.9117479295222649
Energy: 0.870484297541945
Energy: 0.9117479295222649
Energy: 0.8213009861577256
Energy: 0.7802759264001813
Energy: 0.8213009861577256
Energy: 0.7802759264001813
Energy: 0.8213009861577256
Energy: 0.7802759264001813
Energy: 0.7806199897506118
Energy: 0.7560345524287165
Energy: 0.7806199897506118
Energy: 0.7560345524287165
Energy: 0.7806199897506118
Energy: 0.7560345524287165
Energy: 0.8879060529004908
Energy: 0.768461554409427
Energy: 0.8879060529004908
Energy: 0.768461554409427
Energy: 0.8879060529004908
Energy: 0.7684615544079979
Energy: 0.8351978104286539
Energy: 0.885537218964199
Energy: 0.8351978104286539
Energy: 0.8855372189656281
Energy: 0.8351978104300831
Energy: 0.885537218964199
Energy: 0.7547835390193283
Energy: 0.7323265157053513
Energy: 0.754783539017899
Energy: 0.7323265157053513
Energy: 0.754783539017899
Energy: 0.7323265157053513
Energy: 0.9115790141643856
Energy: 0.8412990952619179
Energy: 0.9115790141643856
Energy: 0.8412990952619179
Energy: 0.9115790141629563
Energy: 0.8412990952619179

minimum gb energy = 0.7316818534387991 eV
minimum distance =  2.28142845597711 Angstroms
sigma value = 9


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

Energy: 0.7796138666573862
Energy: 0.743650286644595
Energy: 0.7796138666569846
Energy: 0.743650286644595
Energy: 0.7796138666569846
Energy: 0.743650286644595
Energy: 0.8238210737305642
Energy: 0.7284448077959822
Energy: 0.8238210737313674
Energy: 0.7067120977930269
Energy: 0.8238210737313674
Energy: 0.7067120977934285
Energy: 0.6753208135749494
Energy: 0.8399855307742448
Energy: 0.6753208135749494
Energy: 0.8399855307738432
Energy: 0.6753208135749494
Energy: 0.8399855307738432
Energy: 0.709353569403507
Energy: 0.6796422141907409
Energy: 0.709353569403507
Energy: 0.6796422141911425
Energy: 0.709353569403507
Energy: 0.6796422141907409
Energy: 0.7304098485533735
Energy: 0.7109328178781361
Energy: 0.7304098485533735
Energy: 0.7109328178781361
Energy: 0.7304098485537751
Energy: 0.7109328178781361
Energy: 0.7553246112037878
Energy: 0.7468358736369973
Energy: 0.7553246112033862
Energy: 0.7468358736373989
Energy: 0.7553246112033862
Energy: 0.7468358736373989
Energy: 0.7176326687429889
Energy: 0.768162716773263
Energy: 0.7176326687433906
Energy: 0.768162716773263
Energy: 0.7176326687441937
Energy: 0.768162716773263
Energy: 0.6617450769420405
Energy: 0.7678112910816148
Energy: 0.6617450769420405
Energy: 0.7678112910820164
Energy: 0.6617450769420405
Energy: 0.7678112910820164
Energy: 0.7501329576768827
Energy: 0.711663466084093
Energy: 0.7501329576768827
Energy: 0.711663466084093
Energy: 0.7501329576772843
Energy: 0.711663466084093
Energy: 0.7315810404388597
Energy: 0.8959632205708475
Energy: 0.7315810404388597
Energy: 0.8959632205692413
Energy: 0.7315810404388597
Energy: 0.8959632205716507
Energy: 0.7072046846532498
Energy: 0.6851277138242848
Energy: 0.7072046846532498
Energy: 0.6851277138242848
Energy: 0.7072046846532498
Energy: 0.6851277138246864
Energy: 0.6947001866453731
Energy: 0.8512825243401645
Energy: 0.6947001866449716
Energy: 0.8512825243401645
Energy: 0.6947001866453731
Energy: 0.8512825243401645
Energy: 0.7082401517527097
Energy: 0.7284465992783845
Energy: 0.654247144609383
Energy: 0.7284465992783845
Energy: 0.6538323532370762
Energy: 0.7284465992783845
Energy: 0.776494620453461
Energy: 0.9275013365004154
Energy: 0.776494620453461
Energy: 0.9275013364988092
Energy: 0.7764946204530594
Energy: 0.9275013364992105
Energy: 0.68897524016097
Energy: 0.7488592066868355
Energy: 0.68897524016097
Energy: 0.7488592066868355
Energy: 0.6889752401613717
Energy: 0.7488592066868355
Energy: 0.683742148416192
Energy: 0.7404811119693439
Energy: 0.683742148416192
Energy: 0.7404811119693439
Energy: 0.683742148416192
Energy: 0.7404811119697454
Energy: 0.8922063298424204
Energy: 0.6808296305624362
Energy: 0.8922063298424204
Energy: 0.6808296305644441
Energy: 0.8922063298424204
Energy: 0.6808296305640426
Energy: 0.6987810549136396
Energy: 0.7108195705625914
Energy: 0.698781054913238
Energy: 0.7108195705625914
Energy: 0.6987810549136396
Energy: 0.7108195705625914
Energy: 0.6586675739002077
Energy: 0.7624379867755702
Energy: 0.6586675739002077
Energy: 0.7624379867755702
Energy: 0.6586675739002077
Energy: 0.7624379867755702
Energy: 0.9701062897188089
Energy: 0.6598682989355285
Energy: 0.9701062897188089
Energy: 0.6598682989355285
Energy: 0.9701062897192104
Energy: 0.6598682989355285
Energy: 0.6586540634163806
Energy: 0.7628053444130621
Energy: 0.6586540634167821
Energy: 0.7628053444122591
Energy: 0.6586540634167821
Energy: 0.7628053444122591
Energy: 0.6984351107469644
Energy: 0.710963164470018
Energy: 0.6984351107469644
Energy: 0.710963164470018
Energy: 0.6984351107465628
Energy: 0.710963164470018
Energy: 0.8922125776321321
Energy: 0.6806496798224342
Energy: 0.8922125776321321
Energy: 0.6806496798212294
Energy: 0.8922125776321321
Energy: 0.6806496798220326
Energy: 0.6836235672577795
Energy: 0.7607033190472456
Energy: 0.6836235672581811
Energy: 0.7607033190472456
Energy: 0.6836235672573779
Energy: 0.7607033190476472
Energy: 0.6886633194418831
Energy: 0.7486954508475776
Energy: 0.6886633194418831
Energy: 0.7486954508475776
Energy: 0.6886633194418831
Energy: 0.7486954508475776
Energy: 0.7767760864973042
Energy: 0.8266552182112766
Energy: 0.7767760864973042
Energy: 0.8266552182112766
Energy: 0.7767760864973042
Energy: 0.8266552182112766
Energy: 0.7654519663219815
Energy: 0.7287324136473741
Energy: 0.653914924692424
Energy: 0.7287324136473741
Energy: 0.6547487075582784
Energy: 0.7287324136477755
Energy: 0.6947044703567049
Energy: 0.7302700704280493
Energy: 0.6947044703567049
Energy: 0.7302700704280493
Energy: 0.6947044703567049
Energy: 0.7302700704280493
Energy: 0.707265983307367
Energy: 0.6851298020685823
Energy: 0.7072659833077686
Energy: 0.685129802068984
Energy: 0.7072659833077686
Energy: 0.685129802068984
Energy: 0.731585701884672
Energy: 0.8178185617540641
Energy: 0.7315857018842704
Energy: 0.8178185617520563
Energy: 0.731585701884672
Energy: 0.8178185617544657
Energy: 0.7497665142852661
Energy: 0.7116759068659867
Energy: 0.7497665142852661
Energy: 0.7116759068655851
Energy: 0.7497665142852661
Energy: 0.7116759068659867
Energy: 0.6618079108969095
Energy: 0.7680824162318155
Energy: 0.6618079108969095
Energy: 0.7680824162318155
Energy: 0.6618079108969095
Energy: 0.7680824162314139
Energy: 0.718376103257567
Energy: 0.7679741179571231
Energy: 0.7183761032571655
Energy: 0.7679741179571231
Energy: 0.7183761032487322
Energy: 0.7679741179567214
Energy: 0.7551162738984764
Energy: 0.7340873281027308
Energy: 0.7551162738984764
Energy: 0.7340873281031324
Energy: 0.7551162738992795
Energy: 0.7340873281031324
Energy: 0.7303152343913158
Energy: 0.7109207286163485
Energy: 0.7303152343917174
Energy: 0.7109207286163485
Energy: 0.7303152343913158
Energy: 0.7109207286163485
Energy: 0.7093085579202175
Energy: 0.6798104491120672
Energy: 0.7093085579206191
Energy: 0.6798104491120672
Energy: 0.7093085579202175
Energy: 0.6798104491120672
Energy: 0.6752948452038817
Energy: 0.8400527117135262
Energy: 0.6752948452034803
Energy: 0.8400527117131248
Energy: 0.6752948452034803
Energy: 0.8400527117131248
Energy: 0.8238443524953384
Energy: 0.6635251260448911
Energy: 0.8238443524949367
Energy: 0.6635251260444897
Energy: 0.8238443524949367
Energy: 0.6635251260444897
Energy: 0.7796138666569846
Energy: 0.7436502866441934
Energy: 0.7796138666573862
Energy: 0.743650286644595
Energy: 0.7796138666569846
Energy: 0.743650286644595
Energy: 0.8238210737289579
Energy: 0.7067120977930269
Energy: 0.8238210737289579
Energy: 0.7067120977930269
Energy: 0.8238210737297611
Energy: 0.7067120977930269
Energy: 0.675320813575351
Energy: 0.8399855307742448
Energy: 0.675320813574548
Energy: 0.8399855307742448
Energy: 0.675320813575351
Energy: 0.8399855307742448
Energy: 0.7093535694039086
Energy: 0.6796422141911425
Energy: 0.7093535694039086
Energy: 0.6796422141907409
Energy: 0.7093535694039086
Energy: 0.6796422141911425
Energy: 0.7304098485533735
Energy: 0.7109328178781361
Energy: 0.7304098485533735
Energy: 0.7109328178781361
Energy: 0.730409848552972
Energy: 0.7109328178781361

minimum gb energy = 0.6538323532370762 eV
minimum distance =  2.37393350666494 Angstroms
sigma value = 57


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

Energy: 0.5567486515866222
Energy: 0.5159342480256455
Energy: 0.33750874392982017
Energy: 0.5159342480256455
Energy: 0.5567486515866222
Energy: 0.5159342480256455
Energy: 0.6122848176218352
Energy: 0.5066021354779193
Energy: 0.6122848176218352
Energy: 0.5090483424803746
Energy: 0.6122848176218352
Energy: 0.5066021354779193
Energy: 0.5556026616752475
Energy: 0.5906104205962269
Energy: 0.5556026616752475
Energy: 0.7015777221433689
Energy: 0.5556026616743335
Energy: 0.5906104205962269
Energy: 0.5177242370570319
Energy: 0.44371259366404253
Energy: 0.5177242370570319
Energy: 0.3372151885389839
Energy: 0.5177242370570319
Energy: 0.44371259366404253
Energy: 0.43746208185155244
Energy: 0.6149530023314825
Energy: 0.43746208185155244
Energy: 0.6149530023314825
Energy: 0.43746208185155244
Energy: 0.6149530023314825
Energy: 0.3374160848124686
Energy: 0.5534602095442
Energy: 0.3374160848124686
Energy: 0.5534602095442
Energy: 0.3374160848124686
Energy: 0.5534602095442
Energy: 0.33743493051485013
Energy: 0.3831964146305569
Energy: 0.3374349305157643
Energy: 0.3831964146305569
Energy: 0.3374349305157643
Energy: 0.3831964146305569
Energy: 0.6128030217830818
Energy: 0.44328046195934717
Energy: 0.6128030217830818
Energy: 0.44328046195934717
Energy: 0.6128030217830818
Energy: 0.44328046195934717
Energy: 0.5144433635170694
Energy: 0.3371929702184075
Energy: 0.5144433635161552
Energy: 0.44670414430596966
Energy: 0.5144433635170694
Energy: 0.3371929702184075
Energy: 0.3835444425421074
Energy: 0.5830989928414362
Energy: 0.3835444425421074
Energy: 0.5830989928414362
Energy: 0.3835444425421074
Energy: 0.5830989928414362
Energy: 0.437786068663947
Energy: 0.5057066040906677
Energy: 0.4377860686648611
Energy: 0.5057066040906677
Energy: 0.4377860686648611
Energy: 0.5057066040906677
Energy: 0.5567486515866222
Energy: 0.5159342480256455
Energy: 0.33750874392982017
Energy: 0.5159342480256455
Energy: 0.5567486515866222
Energy: 0.5159342480256455
Energy: 0.6122848176218352
Energy: 0.5066021354779193
Energy: 0.6122848176218352
Energy: 0.5090483424794605
Energy: 0.6122848176218352
Energy: 0.5066021354779193
Energy: 0.5556026616743335
Energy: 0.5906104205962269
Energy: 0.5556026616743335
Energy: 0.7015777221387982
Energy: 0.5556026616743335
Energy: 0.5906104205962269
Energy: 0.5177242370570319
Energy: 0.44371259366404253
Energy: 0.5177242370570319
Energy: 0.3372151885389839
Energy: 0.5177242370570319
Energy: 0.44371259366312826
Energy: 0.43746208185155244
Energy: 0.6149530023314825
Energy: 0.43746208185155244
Energy: 0.6149530023323967
Energy: 0.43746208185155244
Energy: 0.6149530023314825
Energy: 0.3374160848124686
Energy: 0.5534602095442
Energy: 0.33741608481338276
Energy: 0.5534602095442
Energy: 0.3374160848124686
Energy: 0.5534602095442
Energy: 0.3374349305157643
Energy: 0.3831964146305569
Energy: 0.3374349305157643
Energy: 0.3831964146314711
Energy: 0.3374349305157643
Energy: 0.3831964146305569
Energy: 0.6128030217830818
Energy: 0.44328046195934717
Energy: 0.6128030217830818
Energy: 0.44328046195934717
Energy: 0.6128030217830818
Energy: 0.44328046195934717

minimum gb energy = 0.3371929702184075 eV
minimum distance =  2.4737902937683 Angstroms
sigma value = 11


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

Energy: 0.6124793376178147
Energy: 0.703361642459934
Energy: 0.6124793376178147
Energy: 0.703361642459934
Energy: 0.612479337617145
Energy: 0.703361642459934
Energy: 0.7437072880838747
Energy: 0.6192155916493272
Energy: 0.7437072880825354
Energy: 0.6192155916493272
Energy: 0.7437072880838747
Energy: 0.6192155916493272
Energy: 0.7338059066112154
Energy: 0.8408654702005096
Energy: 0.7338059066112154
Energy: 0.8408654701991704
Energy: 0.7338059066112154
Energy: 0.8408654701985008
Energy: 0.7828487974557957
Energy: 0.5729819704293176
Energy: 0.7828487974557957
Energy: 0.5729819704293176
Energy: 0.7828487974557957
Energy: 0.5729819704293176
Energy: 0.680453268476935
Energy: 0.5502279569735733
Energy: 0.680453268476935
Energy: 0.5502279569729036
Energy: 0.680453268476935
Energy: 0.5502279569729036
Energy: 0.6735988484743717
Energy: 0.6499896657679182
Energy: 0.6735988484743717
Energy: 0.6499896657672485
Energy: 0.6735988484737021
Energy: 0.6499896657679182
Energy: 0.5417369049438799
Energy: 0.6031113306188444
Energy: 0.5417369049432103
Energy: 0.6031113306108088
Energy: 0.5417369049425407
Energy: 0.6031113305960769
Energy: 0.7158927466405669
Energy: 0.5235091877703015
Energy: 0.7158927466412365
Energy: 0.523509187769632
Energy: 0.7158927466405669
Energy: 0.5235091877703015
Energy: 0.7138201639163412
Energy: 0.5270836385990405
Energy: 0.7138201639156716
Energy: 0.5270836385990405
Energy: 0.7138201639156716
Energy: 0.5270836385990405
Energy: 0.5358109764024038
Energy: 0.7866855470960556
Energy: 0.5358109764024038
Energy: 0.7866855470960556
Energy: 0.5358109764017343
Energy: 0.786685547093377
Energy: 0.8094675347648687
Energy: 0.6798538654677428
Energy: 0.809467534764199
Energy: 0.6798538654677428
Energy: 0.809467534764199
Energy: 0.6798538654670732
Energy: 0.6813019755633273
Energy: 0.5526112338890345
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Energy: 0.7293042834995451
Energy: 0.5775144630786213
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Energy: 0.5775144630786213
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Energy: 0.5775144630786213
Energy: 0.7935525927857827
Energy: 0.9278225733537018
Energy: 0.7935525927857827
Energy: 0.9278225733537018
Energy: 0.7935525927857827
Energy: 0.9278225733537018
Energy: 0.8666813135432979
Energy: 0.6221729188032061
Energy: 0.8666813135439677
Energy: 0.6221729188032061
Energy: 0.8666813135432979
Energy: 0.6221729188032061
Energy: 0.5897675634912587
Energy: 0.7030901459282626
Energy: 0.5897675634905891
Energy: 0.7030901459275929
Energy: 0.5897675634912587
Energy: 0.7030901459282626
Energy: 0.6406284265598706
Energy: 0.6178907734269729
Energy: 0.6406284265598706
Energy: 0.6178907734269729
Energy: 0.6406284265598706
Energy: 0.6178907734269729
Energy: 0.8889755064251528
Energy: 0.916785570751425
Energy: 0.8889755064251528
Energy: 0.916785570751425
Energy: 0.8889755064244832
Energy: 0.916785570751425
Energy: 0.7908855449488076
Energy: 0.5694630294949158
Energy: 0.790885544948138
Energy: 0.5694630294949158
Energy: 0.790885544948138
Energy: 0.5694630294949158
Energy: 0.6810807472817385
Energy: 0.6451309564799063
Energy: 0.6810807472817385
Energy: 0.6451309564799063
Energy: 0.6810807472824082
Energy: 0.6451309564799063
Energy: 0.5371308777725393
Energy: 0.7079490051610117
Energy: 0.5371308777725393
Energy: 0.7079490051610117
Energy: 0.5371308777718697
Energy: 0.7079490051610117
Energy: 0.6852870323148443
Energy: 0.7141995550420194
Energy: 0.6852870323148443
Energy: 0.7141995549630641
Energy: 0.6852870323148443
Energy: 0.7141995547562706
Energy: 0.7184257711080532
Energy: 0.6504198861595542
Energy: 0.7184257711073836
Energy: 0.6504198861595542
Energy: 0.7184257711073836
Energy: 0.6504198861595542
Energy: 0.7129994207395698
Energy: 0.6139689203521651
Energy: 0.7129994207402394
Energy: 0.6139689203521651
Energy: 0.7129994207395698
Energy: 0.6139689203521651
Energy: 0.5370155040361777
Energy: 0.7864076121596335
Energy: 0.5370155040368474
Energy: 0.7864076122740791
Energy: 0.5370155040361777
Energy: 0.7864076121984719
Energy: 1.0221973832115485
Energy: 0.6792043164237782
Energy: 1.0221973832115485
Energy: 0.6792043164237782
Energy: 1.0221973832115485
Energy: 0.6792043164237782

minimum gb energy = 0.523509187769632 eV
minimum distance =  2.38250898609636 Angstroms
sigma value = 41


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

Energy: 0.6892435718039729
Energy: 0.6079758012346939
Energy: 0.6892435718039729
Energy: 0.6079758012346939
Energy: 0.6892435718039729
Energy: 0.6079758012346939
Energy: 0.7844663442405232
Energy: 0.721180602786798
Energy: 0.7844663442405232
Energy: 0.721180602786798
Energy: 0.7844663442405232
Energy: 0.721180602786798
Energy: 0.6964205173075679
Energy: 0.7141460977505705
Energy: 0.6964205173075679
Energy: 0.7141460977510983
Energy: 0.6964205173070641
Energy: 0.7141460977510983
Energy: 0.7152412189034735
Energy: 0.6013528595852672
Energy: 0.7152412189034735
Energy: 0.6013528595852672
Energy: 0.7152412189034735
Energy: 0.6013528595852672
Energy: 0.5866080935140854
Energy: 0.6374975728609406
Energy: 0.5866080935135577
Energy: 0.6374975728609406
Energy: 0.5866080935135577
Energy: 0.6374975728604129
Energy: 0.7654296237037932
Energy: 0.760274264596658
Energy: 0.7654296237037932
Energy: 0.760274264596658
Energy: 0.7654296237037932
Energy: 0.760274264596658
Energy: 0.5950584764947909
Energy: 0.8641153127045639
Energy: 0.5950584764947909
Energy: 0.8641153127050917
Energy: 0.5950584764947909
Energy: 0.8641153127050917
Energy: 0.5758059307000862
Energy: 0.6013133236628069
Energy: 0.5758059306995584
Energy: 0.6013133236628069
Energy: 0.5758059307000862
Energy: 0.6013133236628069
Energy: 0.595404023110598
Energy: 0.6285393337909779
Energy: 0.595404023110598
Energy: 0.6285393337914817
Energy: 0.595404023110598
Energy: 0.6285393337909779
Energy: 0.6458200959110987
Energy: 0.7349968644526298
Energy: 0.6458200959105708
Energy: 0.7349968644526298
Energy: 0.6458200959105708
Energy: 0.7349968644526298
Energy: 0.6404226004332514
Energy: 0.7344129953049596
Energy: 0.6404226004332514
Energy: 0.7344129953049596
Energy: 0.6404226004332514
Energy: 0.7344129953049596
Energy: 0.5707739836809104
Energy: 0.7053563984559281
Energy: 0.5707739836809104
Energy: 0.7053563984559281
Energy: 0.5707739836809104
Energy: 0.7053563984559281
Energy: 0.5757981722093584
Energy: 0.5964361139078185
Energy: 0.5757981722093584
Energy: 0.5964361139078185
Energy: 0.5757981722088306
Energy: 0.5964361139078185
Energy: 0.5563776577644485
Energy: 0.8251863377180237
Energy: 0.5563776577644485
Energy: 0.8251863377180237
Energy: 0.5563776577644485
Energy: 0.8251863377180237
Energy: 0.7655399363499432
Energy: 0.7514771504252886
Energy: 0.7655399363499432
Energy: 0.7514771504252886
Energy: 0.7655399363499432
Energy: 0.7514771504252886
Energy: 0.5537745258931377
Energy: 0.7364990684282855
Energy: 0.5537745258936655
Energy: 0.7364990684282855
Energy: 0.5537745258931377
Energy: 0.7364990684282855
Energy: 0.5836051844826269
Energy: 0.5961453699513682
Energy: 0.5836051844826269
Energy: 0.5961453699513682
Energy: 0.5836051844826269
Energy: 0.5961453699513682
Energy: 0.7706407659528924
Energy: 0.8807304325522454
Energy: 0.7706407659534202
Energy: 0.8807304325511898
Energy: 0.7706407659528924
Energy: 0.8807304325517176
Energy: 0.7824765199724512
Energy: 0.8170573579786191
Energy: 0.7824765199724512
Energy: 0.8170573579786191
Energy: 0.7824765199724512
Energy: 0.8170573579786191
Energy: 0.6384291423986205
Energy: 0.6732014868120276
Energy: 0.6384291423986205
Energy: 0.6732014868120276
Energy: 0.6384291423986205
Energy: 0.6732014868120276
Energy: 0.6082579689141826
Energy: 0.7200354379546777
Energy: 0.6082579689141826
Energy: 0.7200354379546777
Energy: 0.6082579689141826
Energy: 0.7200354379546777
Energy: 0.6973970469236498
Energy: 1.0121689624564176
Energy: 0.6973970469236498
Energy: 1.0121689624569454
Energy: 0.6973970469236498
Energy: 1.0121689624569454
Energy: 0.7178125898484177
Energy: 0.5960010751859093
Energy: 0.7178125898489456
Energy: 0.5960010751859093
Energy: 0.7178125898484177
Energy: 0.5960010751859093
Energy: 0.5532198064547118
Energy: 0.716484192915376
Energy: 0.5532198064547118
Energy: 0.716484192915376
Energy: 0.5532198064547118
Energy: 0.716484192915376
Energy: 0.5624746480105363
Energy: 0.7604710753496265
Energy: 0.5624746480105363
Energy: 0.7604710753490986
Energy: 0.5624746480110641
Energy: 0.7604710753490986
Energy: 0.5929242436198665
Energy: 0.8288981702452114
Energy: 0.5929242436198665
Energy: 0.8288981702452114
Energy: 0.5929242436198665
Energy: 0.8288981702452114
Energy: 0.5824727460231236
Energy: 0.5960245087189664
Energy: 0.5824727460231236
Energy: 0.5960245087194941
Energy: 0.5824727460231236
Energy: 0.5960245087189664
Energy: 0.5924866008811588
Energy: 0.7086802342840941
Energy: 0.5924866008811588
Energy: 0.7086802342840941
Energy: 0.5924866008811588
Energy: 0.7086802342840941
Energy: 0.6383544028521771
Energy: 0.8206011487498062
Energy: 0.6383544028521771
Energy: 0.8206011487498062
Energy: 0.6383544028521771
Energy: 0.8206011487498062
Energy: 0.7034001601959194
Energy: 0.7958315218469787
Energy: 0.7034001601959194
Energy: 0.7958315218469787
Energy: 0.7034001601959194
Energy: 0.7958315218469787
Energy: 0.5751682355964429
Energy: 0.7214162108754277
Energy: 0.5751682355964429
Energy: 0.7214162108754277
Energy: 0.575168235595915
Energy: 0.7214162108754277
Energy: 0.6001717253041414
Energy: 0.6242293924826662
Energy: 0.6001717253041414
Energy: 0.6242293924826662
Energy: 0.6001717253041414
Energy: 0.6242293924826662
Energy: 0.5616580203987984
Energy: 0.7358351264317883
Energy: 0.5616580203987984
Energy: 0.7358351264317883
Energy: 0.5616580203987984
Energy: 0.7358351264317883

minimum gb energy = 0.5532198064547118 eV
minimum distance =  2.40290407969913 Angstroms
sigma value = 33


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

Energy: 0.695164003276314
Energy: 0.6178284588079301
Energy: 0.6951640032759436
Energy: 0.6178284588079301
Energy: 0.6951640032759436
Energy: 0.6178284588079301
Energy: 0.6964314420036323
Energy: 0.5920829269503137
Energy: 0.6964314420028914
Energy: 0.5920829269503137
Energy: 0.6964314420032619
Energy: 0.5920829269503137
Energy: 0.6351905049562869
Energy: 0.723675880650057
Energy: 0.6351905049562869
Energy: 0.7236758806493161
Energy: 0.6351905049562869
Energy: 0.7236758806493161
Energy: 0.6378487343043112
Energy: 0.6079083297867437
Energy: 0.6378487343043112
Energy: 0.6079083297871142
Energy: 0.6378487343046817
Energy: 0.6079083297867437
Energy: 0.6348698454633921
Energy: 0.6053174673567872
Energy: 0.6348698454630216
Energy: 0.6053174673567872
Energy: 0.6348698454633921
Energy: 0.6053174673567872
Energy: 0.8571040963314172
Energy: 0.6279113606883133
Energy: 0.8571040963314172
Energy: 0.6279113606883133
Energy: 0.8571040963314172
Energy: 0.6279113606883133
Energy: 0.6224540840634906
Energy: 0.6889569306542233
Energy: 0.6224540840638609
Energy: 0.6889569306542233
Energy: 0.6224540840638609
Energy: 0.6889569306542233
Energy: 0.6699922083769236
Energy: 0.6630208245674851
Energy: 0.6699922083769236
Energy: 0.6630208245674851
Energy: 0.6699922083769236
Energy: 0.6630208245671148
Energy: 0.6162535265866026
Energy: 0.6440627260815931
Energy: 0.6162535265866026
Energy: 0.6440627260815931
Energy: 0.6162535265866026
Energy: 0.6440627260812226
Energy: 0.9006576905604641
Energy: 0.6140546095621077
Energy: 0.9006576905612048
Energy: 0.6140546095624781
Energy: 0.9006576905608344
Energy: 0.6140546095624781
Energy: 0.6591128922237689
Energy: 0.6573034179535571
Energy: 0.6591128922237689
Energy: 0.6573034179531866
Energy: 0.6591128922237689
Energy: 0.6573034179531866
Energy: 0.6059371235675497
Energy: 0.6077589522621251
Energy: 0.6059371235672129
Energy: 0.6077589522617547
Energy: 0.6059371235679201
Energy: 0.6077589522621251
Energy: 0.6489803824488638
Energy: 0.617246829685108
Energy: 0.6489803824488638
Energy: 0.6172468296854786
Energy: 0.6489803824488638
Energy: 0.6172468296847378
Energy: 0.6801675445109471
Energy: 0.6648834520849434
Energy: 0.6801675445113174
Energy: 0.6648834520853137
Energy: 0.6801675445113174
Energy: 0.6648834520849434
Energy: 0.669469530083517
Energy: 0.6207184198165989
Energy: 0.6694695300838874
Energy: 0.6207184198165989
Energy: 0.6694695300838874
Energy: 0.6207184198165989
Energy: 0.6324824527440548
Energy: 0.8574761944052459
Energy: 0.6324824527444252
Energy: 0.8574761944045051
Energy: 0.6324824527436844
Energy: 0.8574761944045051
Energy: 0.6034289466699375
Energy: 0.6216081522222531
Energy: 0.6034289466699375
Energy: 0.6216081522222531
Energy: 0.6034289466699375
Energy: 0.6216081522222531
Energy: 0.6041276762613889
Energy: 0.6379510306772043
Energy: 0.6041276762617594
Energy: 0.6379510306775746
Energy: 0.6041276762617594
Energy: 0.6379510306775746
Energy: 0.8985636134251095
Energy: 0.634454543466787
Energy: 0.89856361342548
Energy: 0.6344545434671574
Energy: 0.8985636134251095
Energy: 0.634454543466787
Energy: 0.6163928885365203
Energy: 0.6551233582286929
Energy: 0.6163928885365203
Energy: 0.6551233582290634
Energy: 0.6163928885365203
Energy: 0.6551233582286929
Energy: 0.6239597834825543
Energy: 0.662093103542223
Energy: 0.6239597834825543
Energy: 0.6620931035414822
Energy: 0.6239597834829248
Energy: 0.6620931035418525
Energy: 0.5880649578816218
Energy: 0.697749618566851
Energy: 0.5880649578812516
Energy: 0.6977496185664807
Energy: 0.5880649578816218
Energy: 0.6977496185664807
Energy: 0.8562579326094888
Energy: 0.5827487776449177
Energy: 0.8562579326094888
Energy: 0.5827487776452882
Energy: 0.8562579326098592
Energy: 0.5827487776449177
Energy: 0.6130938283207112
Energy: 0.6358601693794262
Energy: 0.6130938283207112
Energy: 0.6358601693790558
Energy: 0.6130938283207112
Energy: 0.6358601693794262
Energy: 0.6037800822771021
Energy: 0.6210808175639676
Energy: 0.6037800822771021
Energy: 0.6210808175643379
Energy: 0.6037800822771021
Energy: 0.6210808175639676
Energy: 0.6250082866887829
Energy: 0.8572142804569471
Energy: 0.6250082866887829
Energy: 0.8572142804576879
Energy: 0.6250082866887829
Energy: 0.8572142804565769
Energy: 0.6952501010020432
Energy: 0.6257037339492751
Energy: 0.6952501010016728
Energy: 0.6257037339492751
Energy: 0.6952501010020432
Energy: 0.6257037339492751
Energy: 0.674996002215166
Energy: 0.6139136433815616
Energy: 0.674996002215166
Energy: 0.6139136433815616
Energy: 0.674996002215166
Energy: 0.613913643381932
Energy: 0.6464805816286456
Energy: 0.6177442793527853
Energy: 0.646480581629016
Energy: 0.6177442793546373
Energy: 0.646480581629016
Energy: 0.6177442793550078
Energy: 0.6104304526683343
Energy: 0.8995153626511674
Energy: 0.6104304526683343
Energy: 0.8995153626515379
Energy: 0.6104304526683343
Energy: 0.8995153626511674
Energy: 0.6349618091709303
Energy: 0.6021211214227891
Energy: 0.6349618091709303
Energy: 0.6021211214231595
Energy: 0.6349618091713006
Energy: 0.6021211214227891
Energy: 0.6135719415549197
Energy: 0.6055691001494117
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Energy: 0.6055691001494117
Energy: 0.6135719415545492
Energy: 0.6055691001490413
Energy: 0.6163591301990783
Energy: 0.6395552485823567
Energy: 0.6163591301987078
Energy: 0.6395552485823567
Energy: 0.6163591301990783
Energy: 0.639555248582727
Energy: 0.6607695510144868
Energy: 0.6741583112973683
Energy: 0.6607695510144868
Energy: 0.6741583112973683
Energy: 0.6607695510148571
Energy: 0.6741583112973683
Energy: 0.6607983337924456
Energy: 0.6743913007641044
Energy: 0.6607983337924456
Energy: 0.6743913007641044
Energy: 0.6607983337924456
Energy: 0.6743913007641044
Energy: 0.6162022308797764
Energy: 0.6398445854836509
Energy: 0.6162022308790357
Energy: 0.6398445854832805
Energy: 0.616202230879406
Energy: 0.6398445854832805
Energy: 0.6132651716415952
Energy: 0.6054792008814931
Energy: 0.6132651716412247
Energy: 0.6054792008811226
Energy: 0.6132651716412247
Energy: 0.6054792008811226
Energy: 0.6349762224402274
Energy: 0.6021051165646154
Energy: 0.6349762224402274
Energy: 0.6021051165646154
Energy: 0.6349762224402274
Energy: 0.6021051165642449
Energy: 0.6103528862043489
Energy: 0.8994789592054442
Energy: 0.6103528862043489
Energy: 0.899478959206185
Energy: 0.6103528862043489
Energy: 0.8994789592054442
Energy: 0.6463918464989289
Energy: 0.6176216842924478
Energy: 0.6463918464989289
Energy: 0.6176216842924478
Energy: 0.6463918464989289
Energy: 0.6176216842917069
Energy: 0.67506096792576
Energy: 0.6136996264888696
Energy: 0.67506096792576
Energy: 0.6136996264884993
Energy: 0.67506096792576
Energy: 0.6136996264888696
Energy: 0.6953759850229629
Energy: 0.6255150778957802
Energy: 0.6953759850229629
Energy: 0.6255150778957802
Energy: 0.6953759850229629
Energy: 0.6255150778961507
Energy: 0.6248793219244044
Energy: 0.8568027039659437
Energy: 0.6248793219247749
Energy: 0.8568027039655733
Energy: 0.6248793219244044
Energy: 0.8568027039659437
Energy: 0.6041027480576859
Energy: 0.6211427662371434
Energy: 0.6041027480576859
Energy: 0.6211427662371434
Energy: 0.6041027480576859
Energy: 0.6211427662371434
Energy: 0.6130911825541246
Energy: 0.6350612692708162
Energy: 0.6130911825541246
Energy: 0.6350612692711867
Energy: 0.6130911825541246
Energy: 0.6350612692708162
Energy: 0.856006244721457
Energy: 0.5824725598821141
Energy: 0.856006244721457
Energy: 0.5824725598824845
Energy: 0.856006244721457
Energy: 0.5824725598824845
Energy: 0.5880898278458447
Energy: 0.6981212066621904
Energy: 0.5880898278462151
Energy: 0.6981212066621904
Energy: 0.5880898278458447
Energy: 0.6981212066621904

minimum gb energy = 0.5824725598821141 eV
minimum distance =  2.40481026542399 Angstroms
sigma value = 67


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

Energy: 0.7058358440517739
Energy: 0.644518304799404
Energy: 0.7058358440515208
Energy: 0.644518304799404
Energy: 0.7058358440515208
Energy: 0.644518304799404
Energy: 0.6767011941254972
Energy: 0.6113227989270156
Energy: 0.6767011941254972
Energy: 0.6113227989267624
Energy: 0.6767011941257505
Energy: 0.6113227989267624
Energy: 0.8260059295940082
Energy: 0.7815829762846145
Energy: 0.6698382768059733
Energy: 0.7815829762846145
Energy: 0.6698382768057201
Energy: 0.7815829762843894
Energy: 0.6766862012667532
Energy: 0.6113264862488643
Energy: 0.6766862012667532
Energy: 0.6113264862488643
Energy: 0.6766862012667532
Energy: 0.6113264862488643
Energy: 0.7058358440517739
Energy: 0.644518304799404
Energy: 0.7058358440517739
Energy: 0.644518304799404
Energy: 0.7058358440515208
Energy: 0.644518304799404
Energy: 0.6767011941254972
Energy: 0.6113227989267624
Energy: 0.6767011941254972
Energy: 0.6113227989267624
Energy: 0.6767011941254972
Energy: 0.6113227989267624
Energy: 0.6406168691323348
Energy: 0.7815829762846145
Energy: 0.6406168691320816
Energy: 0.7815829762843894
Energy: 0.8260059295902952
Energy: 0.7815829762843894

minimum gb energy = 0.6113227989267624 eV
minimum distance =  2.4165643118165 Angstroms
sigma value = 3


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

Energy: 0.8253318871480965
Energy: 0.7415290815403439
Energy: 0.8253318871480965
Energy: 0.7415290815403439
Energy: 0.8253318871480965
Energy: 0.7415290815403439
Energy: 0.7425809953402286
Energy: 0.6859641189474183
Energy: 0.7425809953402286
Energy: 0.6859641189474183
Energy: 0.7425809953402286
Energy: 0.6859641189474183
Energy: 0.7146342772510805
Energy: 0.8630177592229414
Energy: 0.7146342772510805
Energy: 0.8630177592229414
Energy: 0.7146342772510805
Energy: 0.8630177592229414
Energy: 0.8703604121055115
Energy: 0.7251731113132149
Energy: 0.8703604121055115
Energy: 0.7251731113132149
Energy: 0.8703604121055115
Energy: 0.7487702435128045
Energy: 0.7543629390788259
Energy: 0.7755782145929843
Energy: 0.7543629390788259
Energy: 0.7755782024271586
Energy: 0.7543629390788259
Energy: 0.7755781816478186
Energy: 0.7174946566558624
Energy: 0.729590802580854
Energy: 0.7174946566558624
Energy: 0.729590802580854
Energy: 0.7174946566558624
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Energy: 0.75223944233627
Energy: 0.8019021460114208
Energy: 0.75223944233627
Energy: 0.8019021460114208
Energy: 0.75223944233627
Energy: 0.8019021460147896
Energy: 0.8178367070387567
Energy: 0.7865440232171379
Energy: 0.8178367070387567
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Energy: 0.8178367070387567
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Energy: 0.7352825103595363
Energy: 0.7717921769571804
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Energy: 0.7717921769268615
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Energy: 0.7717921768494416
Energy: 0.7465911850989311
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Energy: 0.7465911850854561
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Energy: 0.7424103540897191
Energy: 0.80030916600585
Energy: 0.7424103540897191
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Energy: 0.7424103540930879
Energy: 0.8003091660226938
Energy: 0.7036775435826942
Energy: 0.7903024645207691
Energy: 0.7036775435826942
Energy: 0.7794086693222698
Energy: 0.7036775435826942
Energy: 0.7794086692687373
Energy: 0.7856541710069821
Energy: 0.7320711543947309
Energy: 0.7856541710069821
Energy: 0.7320711543879934
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Energy: 0.7320711543812559
Energy: 0.7661935555084424
Energy: 0.8209196708103692
Energy: 0.7661935555084424
Energy: 0.8209196708103692
Energy: 0.7661935555084424
Energy: 0.8209196708103692
Energy: 0.8355254097601249
Energy: 0.710307361712715
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Energy: 0.710307361712715
Energy: 0.8355254097601249
Energy: 0.710307361712715
Energy: 0.7576044297307922
Energy: 0.7106163406808064
Energy: 0.7576044297307922
Energy: 0.7106163406808064
Energy: 0.7576044297307922
Energy: 0.7106163406808064
Energy: 0.8053799337494879
Energy: 0.6880323787559668
Energy: 0.8053799329379878
Energy: 0.6880323787559668
Energy: 0.8053799303452176
Energy: 0.6880323787559668
Energy: 0.754225104173494
Energy: 0.821809196643555
Energy: 0.754225104173494
Energy: 0.8218091966469236
Energy: 0.754225104173494
Energy: 0.8218091966469236
Energy: 0.8351976688059953
Energy: 0.7884067586547987
Energy: 0.8351976688059953
Energy: 0.7884067586547987
Energy: 0.8351976688059953
Energy: 0.7884067586547987
Energy: 0.7036855051953899
Energy: 0.7610759243755078
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Energy: 0.7610759243755078
Energy: 0.7036855051953899
Energy: 0.761075924372139
Energy: 0.7935740863662624
Energy: 0.7320796724398734
Energy: 0.7935740863325748
Energy: 0.7320796724398734
Energy: 0.7935740861373101
Energy: 0.7320796724398734
Energy: 0.7038337617463017
Energy: 0.8043578312468909
Energy: 0.7038337617463017
Energy: 0.8043578312435221
Energy: 0.7038337617463017
Energy: 0.8043578312435221
Energy: 0.756820112420607
Energy: 0.7574474399100092
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Energy: 0.7574474399100092
Energy: 0.756820112420607
Energy: 0.7574474399100092
Energy: 0.6975069679441471
Energy: 0.7486931689462896
Energy: 0.6975069679441471
Energy: 0.7486931689462896
Energy: 0.6975069679441471
Energy: 0.7486931689462896
Energy: 0.8055196805477609
Energy: 0.7317672755981508
Energy: 0.805519680544392
Energy: 0.731767275604827
Energy: 0.8055196805477609
Energy: 0.7317672755981508
Energy: 0.7164525972910859
Energy: 0.746214018715297
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Energy: 0.7462140187186657
Energy: 0.7164525972910859
Energy: 0.7462140187186657
Energy: 0.7568924589720535
Energy: 0.7729673282794297
Energy: 0.7568924589686848
Energy: 0.7729673282794297
Energy: 0.7568924589720535
Energy: 0.7729673282794297
Energy: 0.7520134021179208
Energy: 0.6884262527455511
Energy: 0.7520134021179208
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Energy: 0.7520134021179208
Energy: 0.6884262527455511
Energy: 0.7544088456545982
Energy: 0.6878626081217316
Energy: 0.7544065883379845
Energy: 0.6878626081217316
Energy: 0.7543980059088302
Energy: 0.6878626081217316
Energy: 0.7577278327038157
Energy: 0.7141679059367693
Energy: 0.7577278327038157
Energy: 0.7141679059334004
Energy: 0.7577278327038157
Energy: 0.7141679059334004
Energy: 0.802579496814328
Energy: 0.7112728808994565
Energy: 0.8025794968109594
Energy: 0.7112728808994565
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Energy: 0.7112728808994565
Energy: 0.7546675333688594
Energy: 0.6864320303368173
Energy: 0.7546675215363557
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Energy: 0.7546674875002067
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Energy: 0.7522324433159057
Energy: 0.7814669160456292
Energy: 0.7522324433192744
Energy: 0.7814635333907604
Energy: 0.7522324433159057
Energy: 0.7811654124215854
Energy: 0.8457200485067516
Energy: 0.7765496322107815
Energy: 0.8457200485067516
Energy: 0.7765496322107815
Energy: 0.8457200485067516
Energy: 0.7765496322107815
Energy: 0.7279589707800825
Energy: 0.743657938108174
Energy: 0.7279589707800825
Energy: 0.743657938108174
Energy: 0.7279589707800825
Energy: 0.743657938108174
Energy: 0.7472265150240971
Energy: 0.73000805048305
Energy: 0.7472265110944862
Energy: 0.73000805048305
Energy: 0.7472264907832795
Energy: 0.73000805048305
Energy: 0.6976818542724595
Energy: 0.8196418815744966
Energy: 0.6976818542724595
Energy: 0.8196418815744966
Energy: 0.6976818542724595
Energy: 0.8196418815744966
Energy: 0.8462003275584083
Energy: 0.7582538938618013
Energy: 0.8462003275584083
Energy: 0.7582538938618013
Energy: 0.8462003275584083
Energy: 0.7582538938618013
Energy: 0.6879910633486819
Energy: 0.8040192598709452
Energy: 0.6879910633486819
Energy: 0.8040192598709452
Energy: 0.6879910633486819
Energy: 0.8040192598709452
Energy: 0.7392470998443486
Energy: 0.7301214944447594
Energy: 0.738842789326251
Energy: 0.7301214944447594
Energy: 0.7119757028619189
Energy: 0.7301214944447594
Energy: 0.7037389785245214
Energy: 0.8566383968019594
Energy: 0.7037389785245214
Energy: 0.8566383967985907
Energy: 0.7037389785245214
Energy: 0.8566383967952219
Energy: 0.9266281222791866
Energy: 0.6948993143174949
Energy: 0.9266281222825554
Energy: 0.6948993143174949
Energy: 0.9266281222791866
Energy: 0.6948993143174949
Energy: 0.7318850442980778
Energy: 0.8215675134559665
Energy: 0.7318850442980778
Energy: 0.8215675134559665
Energy: 0.7318850442980778
Energy: 0.8215675134559665
Energy: 0.7941569667279195
Energy: 0.6861615594306291
Energy: 0.7941569667279195
Energy: 0.6861615594306291
Energy: 0.7941569667178131
Energy: 0.6861615594306291
Energy: 0.7580724391744449
Energy: 0.7151993333857426
Energy: 0.7580724391744449
Energy: 0.7151993333857426
Energy: 0.7580724391744449
Energy: 0.7151993333857426
Energy: 0.7990015476026595
Energy: 0.6959851684897251
Energy: 0.7990015476026595
Energy: 0.6959851684897251
Energy: 0.7990015476026595
Energy: 0.6959851684897251
Energy: 0.7714066754197921
Energy: 0.8209389182587006
Energy: 0.7714066754197921
Energy: 0.8209389182587006
Energy: 0.7714066754197921
Energy: 0.8209389182587006
Energy: 0.7855291698799862
Energy: 0.7307294897063931
Energy: 0.7855291698799862
Energy: 0.7307294897063931
Energy: 0.7855291698799862
Energy: 0.7307294897063931
Energy: 0.7040677381894407
Energy: 0.7756675055993917
Energy: 0.7040677381894407
Energy: 0.7756675055791793
Energy: 0.7040677381894407
Energy: 0.7756675055455531
Energy: 0.744095407910425
Energy: 0.7461945707202893
Energy: 0.744095407910425
Energy: 0.7461945707202893
Energy: 0.744095407910425
Energy: 0.7461945707202893
Energy: 0.7537400619523191
Energy: 0.7299172280784625
Energy: 0.7537400619523191
Energy: 0.7299172280784625
Energy: 0.7537400619523191
Energy: 0.7299172280784625

minimum gb energy = 0.6859641189474183 eV
minimum distance =  2.38360973331081 Angstroms
sigma value = 81


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

Energy: 0.7354792170409091
Energy: 0.7155724862233552
Energy: 0.7354792170409091
Energy: 0.7155724862233552
Energy: 0.7354792170409091
Energy: 0.7155724862233552
Energy: 0.6604820962934558
Energy: 0.6594955797336182
Energy: 0.6604820962934558
Energy: 0.6594955797331559
Energy: 0.6604820962934558
Energy: 0.6594955797331559
Energy: 0.8245456635092535
Energy: 0.6590195772369616
Energy: 0.8245456634926086
Energy: 0.6590195772369616
Energy: 0.8245456634478021
Energy: 0.6590195772369616
Energy: 0.7204183698896042
Energy: 0.7798796848103853
Energy: 0.7204183698900665
Energy: 0.7798796848029875
Energy: 0.7204183698896042
Energy: 0.7798796847886547
Energy: 0.6776523960080101
Energy: 0.7313808131010369
Energy: 0.6776523960080101
Energy: 0.7313808131010369
Energy: 0.6776523960080101
Energy: 0.7313808131010369
Energy: 0.6599840100440918
Energy: 0.6577872008627643
Energy: 0.6599840100440918
Energy: 0.6577872008627643
Energy: 0.6599840100440918
Energy: 0.6577872008627643
Energy: 0.6460558224741932
Energy: 0.6671845537871236
Energy: 0.6460558224746555
Energy: 0.6671845537871236
Energy: 0.6460558224741932
Energy: 0.6671845537871236
Energy: 0.6641643074788723
Energy: 0.7271147492534121
Energy: 0.6641643074788723
Energy: 0.7271147492534121
Energy: 0.6641643074793345
Energy: 0.7271147492534121
Energy: 0.8516755735688112
Energy: 0.7797900750424767
Energy: 0.8516755735688112
Energy: 0.7797900747055453
Energy: 0.8516755735688112
Energy: 0.7797900739332848
Energy: 0.7493714127332854
Energy: 1.0661995680065064
Energy: 0.7493714127332854
Energy: 1.066199568007431
Energy: 0.7493714127337479
Energy: 1.0661995680065064
Energy: 0.6621148529151321
Energy: 0.6446954845591428
Energy: 0.6621148529151321
Energy: 0.6446954845591428
Energy: 0.6621148529151321
Energy: 0.6446954845596053
Energy: 0.6582221816966827
Energy: 0.6601045467797548
Energy: 0.6582221816966827
Energy: 0.6601045467797548
Energy: 0.6582221816966827
Energy: 0.6601045467797548
Energy: 0.6693094843653834
Energy: 0.7325901476975647
Energy: 0.6693094843658458
Energy: 0.7325901476980271
Energy: 0.6693094843653834
Energy: 0.7325901476975647
Energy: 0.7809937272758432
Energy: 0.8083971298017056
Energy: 0.7809937272758432
Energy: 0.8083971298017056
Energy: 0.7809937272758432
Energy: 0.8083971298017056
Energy: 0.8123844925152308
Energy: 0.6351097625978945
Energy: 0.8123844925156932
Energy: 0.6351097625978945
Energy: 0.8123844925152308
Energy: 0.6351097625978945
Energy: 0.6637677398640806
Energy: 0.6641188630432633
Energy: 0.663767739864543
Energy: 0.6641188630432633
Energy: 0.663767739864543
Energy: 0.6641188630428009
Energy: 0.7209518795395811
Energy: 0.6578480059074608
Energy: 0.7209518795395811
Energy: 0.6578480059074608
Energy: 0.7209518795395811
Energy: 0.6578480059074608
Energy: 0.6317348700470238
Energy: 0.7191245300843971
Energy: 0.6317348700470238
Energy: 0.7191245300848593
Energy: 0.6317348700470238
Energy: 0.7191245300843971
Energy: 0.6628088741638499
Energy: 0.8246810363305438
Energy: 0.6628088741638499
Energy: 0.8246810359876438
Energy: 0.6628088741638499
Energy: 0.8246810354381547
Energy: 0.7789985163900174
Energy: 0.8544623466850589
Energy: 0.7789985163128459
Energy: 0.8544623466850589
Energy: 0.7789985160420314
Energy: 0.8544623466850589
Energy: 0.6707387679620496
Energy: 0.7328443860390137
Energy: 0.6707387679620496
Energy: 0.7328443860390137
Energy: 0.6707387679620496
Energy: 0.7328443860385514
Energy: 0.6579904487076439
Energy: 0.6465926855711458
Energy: 0.6579904487076439
Energy: 0.6465926855711458
Energy: 0.6579904487076439
Energy: 0.6465926855711458
Energy: 0.6578052524149404
Energy: 0.6465464219448468
Energy: 0.6578052524149404
Energy: 0.6465464219448468
Energy: 0.6578052524154027
Energy: 0.6465464219453092
Energy: 0.6708714116305666
Energy: 0.7327452707248397
Energy: 0.6708714116301041
Energy: 0.7327452707248397
Energy: 0.6708714116301041
Energy: 0.7327452707248397
Energy: 0.7791025954854458
Energy: 0.8547366792699658
Energy: 0.7791025954595541
Energy: 0.8547366792704281
Energy: 0.779102595310297
Energy: 0.8547366792704281
Energy: 0.6631928140629552
Energy: 0.8248130088809353
Energy: 0.6631928140629552
Energy: 0.8248130083577586
Energy: 0.6631928140629552
Energy: 0.8248130073655427
Energy: 0.6317426140971514
Energy: 0.719015907183959
Energy: 0.6317426140971514
Energy: 0.7190159071835386
Energy: 0.6317426140971514
Energy: 0.7190159071835386
Energy: 0.7202336670732842
Energy: 0.6578788030228381
Energy: 0.7202336670737466
Energy: 0.6578788030223756
Energy: 0.7202336670732842
Energy: 0.6578788030228381
Energy: 0.6639008114323628
Energy: 0.6640316608377849
Energy: 0.6639008114323628
Energy: 0.6640316608373226
Energy: 0.6639008114323628
Energy: 0.6640316608377849
Energy: 0.8120415665036758
Energy: 0.6345213955798511
Energy: 0.8120415665041381
Energy: 0.6345213955793888
Energy: 0.8120415665032134
Energy: 0.6345213955798511
Energy: 0.7813679038664539
Energy: 0.8087488621306629
Energy: 0.7813679038664539
Energy: 0.8087488621306629
Energy: 0.7813679038664539
Energy: 0.8087488621320499
Energy: 0.6693608731485334
Energy: 0.7314420416111688
Energy: 0.6693608731485334
Energy: 0.7314420416111688
Energy: 0.6693608731485334
Energy: 0.7314420416111688
Energy: 0.6584698787162035
Energy: 0.6601589436573411
Energy: 0.6584698787162035
Energy: 0.6601589436578035
Energy: 0.6584698787162035
Energy: 0.6601589436573411
Energy: 0.6618851823308461
Energy: 0.6446508865502264
Energy: 0.6618851823308461
Energy: 0.6446508865497641
Energy: 0.6618851823308461
Energy: 0.6446508865497641
Energy: 0.7493973350319244
Energy: 1.0663579569487034
Energy: 0.7493973350319244
Energy: 1.0663579569487034
Energy: 0.7493973350319244
Energy: 1.0663579569487034
Energy: 0.8516935382329954
Energy: 0.7798310086498166
Energy: 0.8516935382329954
Energy: 0.7798310082814449
Energy: 0.8516935382329954
Energy: 0.7798310076372149
Energy: 0.6642161963663626
Energy: 0.6644724222515861
Energy: 0.6642161963663626
Energy: 0.6644724222520485
Energy: 0.6642161963663626
Energy: 0.6644724222525108
Energy: 0.6459542354408657
Energy: 0.6671623261581522
Energy: 0.6459542354413281
Energy: 0.6671623261586146
Energy: 0.6459542354408657
Energy: 0.6671623261586146

minimum gb energy = 0.6317348700470238 eV
minimum distance =  2.43105219519787 Angstroms
sigma value = 43


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

Energy: 0.8828969010852861
Energy: 0.6921065094571623
Energy: 0.8828969010852861
Energy: 0.6921065094571623
Energy: 0.8828969010852861
Energy: 0.6921065094571623
Energy: 0.7682713564859402
Energy: 0.6839970916825023
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Energy: 0.6839970916825023
Energy: 0.7682713564859402
Energy: 0.6839970916819343
Energy: 0.769973489191204
Energy: 0.865396766028255
Energy: 0.769973489191204
Energy: 0.865396766028255
Energy: 0.769973489191204
Energy: 0.865396766028255
Energy: 0.7709786228356548
Energy: 0.7294530462717386
Energy: 0.7709786228362228
Energy: 0.7294530462717386
Energy: 0.7709786228356548
Energy: 0.7294530462717386
Energy: 0.7569205314784984
Energy: 0.7719699303649924
Energy: 0.7569205314784984
Energy: 0.7719699303649924
Energy: 0.7569205314784984
Energy: 0.7719699303649924
Energy: 0.7219818919674232
Energy: 0.7373668211851695
Energy: 0.7219818919674232
Energy: 0.7373668211851695
Energy: 0.7219818919674232
Energy: 0.7373668211846015
Energy: 0.772484220308873
Energy: 0.8101800739754682
Energy: 0.772484220308873
Energy: 0.8101800739754682
Energy: 0.772484220308305
Energy: 0.8101800739754682
Energy: 0.717099030448321
Energy: 0.7671081923642941
Energy: 0.717099030448321
Energy: 0.7671081923648619
Energy: 0.717099030448321
Energy: 0.7671081923648619
Energy: 0.8411223713614969
Energy: 0.6814373331188709
Energy: 0.8411223713614969
Energy: 0.6814373331188709
Energy: 0.8411223713614969
Energy: 0.6814373331188709
Energy: 0.7274900391762813
Energy: 0.8775976885794436
Energy: 0.7274900391762813
Energy: 0.8775976885794436
Energy: 0.7274900391762813
Energy: 0.8775976885794436
Energy: 0.7744617518394574
Energy: 0.751926415614059
Energy: 0.7744617518394574
Energy: 0.751926415614059
Energy: 0.7744617518394574
Energy: 0.751926415614059
Energy: 0.716986345086801
Energy: 0.7263477546156502
Energy: 0.716986345086801
Energy: 0.7263477546156502
Energy: 0.7169863450862332
Energy: 0.7263477546156502
Energy: 0.798252530321841
Energy: 0.7374712687394397
Energy: 0.798252530321841
Energy: 0.7374712687394397
Energy: 0.7982525303212731
Energy: 0.7374712687394397
Energy: 0.6647770635593677
Energy: 0.8475240842751802
Energy: 0.6647770635587998
Energy: 0.8475240842751802
Energy: 0.6647770635593677
Energy: 0.8475240842751802
Energy: 0.7742984732703916
Energy: 0.7724004726572352
Energy: 0.7742984732703916
Energy: 0.7724004726572352
Energy: 0.7742984732703916
Energy: 0.7724004726572352
Energy: 0.7454618089079524
Energy: 0.7194147986295929
Energy: 0.7454618089079524
Energy: 0.7194147986205319
Energy: 0.7454618089079524
Energy: 0.7194147986080377
Energy: 0.7833794985995098
Energy: 0.6842878833341617
Energy: 0.78337949859667
Energy: 0.6842878833341617
Energy: 0.7833794985875834
Energy: 0.6842878833341617
Energy: 0.8360373967651216
Energy: 0.7248692712083987
Energy: 0.8360373967651216
Energy: 0.7248692712083987
Energy: 0.8360373967651216
Energy: 0.7248692712083987
Energy: 0.8277481696089857
Energy: 0.7128251826219654
Energy: 0.8277481696089857
Energy: 0.7128251826213975
Energy: 0.8277481696084177
Energy: 0.7128251826219654
Energy: 0.7837686710169799
Energy: 0.6845568233887076
Energy: 0.7837686709732758
Energy: 0.6845568233887076
Energy: 0.7837686708217181
Energy: 0.6845568233887076
Energy: 0.7451279834111681
Energy: 0.7497380116256132
Energy: 0.7451279834111681
Energy: 0.7497380116256132
Energy: 0.745127983411736
Energy: 0.7497380116256132
Energy: 0.8262921477422588
Energy: 0.7913857458574549
Energy: 0.8262921477422588
Energy: 0.7913857458574549
Energy: 0.8262921477422588
Energy: 0.7913857458574549
Energy: 0.6649655629721843
Energy: 0.7836447779502683
Energy: 0.6649655629716165
Energy: 0.7836447779502683
Energy: 0.6649655629716165
Energy: 0.7836447779502683
Energy: 0.7961843108900615
Energy: 0.7377519318329693
Energy: 0.7961843108900615
Energy: 0.7377519318329693
Energy: 0.7961843108900615
Energy: 0.7377519318329693
Energy: 0.7170284081759997
Energy: 0.711893715133071
Energy: 0.7170284081759997
Energy: 0.711893715133071
Energy: 0.7170284081759997
Energy: 0.711893715133071
Energy: 0.8322762764448233
Energy: 0.7525341824782307
Energy: 0.8322762764448233
Energy: 0.7525341824782307
Energy: 0.8322762764448233
Energy: 0.7525341824776628
Energy: 0.7270108951631337
Energy: 0.8237081195124343
Energy: 0.7270108951631337
Energy: 0.8237081195124343
Energy: 0.7270108951631337
Energy: 0.8237081195124343
Energy: 0.7879110042990355
Energy: 0.6810971392667269
Energy: 0.7879110042990355
Energy: 0.6810971392672948
Energy: 0.7879110042961958
Energy: 0.6810971392667269
Energy: 0.7170146463170146
Energy: 0.7670411391508721
Energy: 0.7170146463175825
Energy: 0.7670411391508721
Energy: 0.7170146463170146
Energy: 0.7670411391508721
Energy: 0.7535916088270597
Energy: 0.7730260991866391
Energy: 0.7535916088270597
Energy: 0.773026099187207
Energy: 0.7535916088276275
Energy: 0.7730260991866391
Energy: 0.7221381954703793
Energy: 0.7374261672037693
Energy: 0.7221381954703793
Energy: 0.7374261672037693
Energy: 0.7221381954703793
Energy: 0.7374261672037693

minimum gb energy = 0.6647770635587998 eV
minimum distance =  2.39648289324985 Angstroms
sigma value = 57


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

Energy: 0.8623242005866051
Energy: 0.7436040686457887
Energy: 0.8072112582684297
Energy: 0.7436040686457887
Energy: 0.8623242005866051
Energy: 0.7436040686457887
Energy: 0.8119106254647779
Energy: 0.7088339972410155
Energy: 0.8119106254647779
Energy: 0.7088339972410155
Energy: 0.8119106254647779
Energy: 0.7088339972410155
Energy: 0.8047345864470216
Energy: 0.8193751676290635
Energy: 0.8037624110923225
Energy: 0.8193751676290635
Energy: 0.8047345864470216
Energy: 0.8193751676290635
Energy: 1.0118669236674245
Energy: 0.8020462363604118
Energy: 1.0118669236674245
Energy: 0.8020462363604118
Energy: 1.0118669236674245
Energy: 0.8020462363596765
Energy: 0.747199845985783
Energy: 0.7642040322549338
Energy: 0.747199845985783
Energy: 0.764198860423219
Energy: 0.747199845985783
Energy: 0.763962127799666
Energy: 0.7926535845102938
Energy: 0.7089385335346092
Energy: 0.7926534141577205
Energy: 0.7089385335346092
Energy: 0.7926529909572244
Energy: 0.7089385335346092
Energy: 0.7751019744202462
Energy: 0.8682671127665148
Energy: 0.7751019744202462
Energy: 0.8682671127665148
Energy: 0.7751019744202462
Energy: 0.8682671127665148
Energy: 0.741759216959166
Energy: 0.7469991315612481
Energy: 0.741759216959166
Energy: 0.7469991315619835
Energy: 0.741759216959166
Energy: 0.7469991315619835
Energy: 0.7825201751214266
Energy: 0.7087842991643559
Energy: 0.7825201751221619
Energy: 0.7087842991643559
Energy: 0.7825201751214266
Energy: 0.7087842991643559
Energy: 0.6950340003853237
Energy: 0.7326888645352228
Energy: 0.6951578939253533
Energy: 0.7598677567455463
Energy: 0.6950340003853237
Energy: 0.7598677567462817
Energy: 0.7446693535960448
Energy: 0.8008046427348084
Energy: 0.7446693535960448
Energy: 0.8008046427348084
Energy: 0.7446693535960448
Energy: 0.8008046427348084
Energy: 0.7503281511254956
Energy: 0.7659700565809298
Energy: 0.7503281511262309
Energy: 0.7233466595108146
Energy: 0.7503281511262309
Energy: 0.7224430145540103
Energy: 0.7910622111988991
Energy: 0.7086918247998153
Energy: 0.7910622111974284
Energy: 0.7086918247998153
Energy: 0.7910622111944872
Energy: 0.7086918247998153
Energy: 0.7735754585095398
Energy: 0.716025157299903
Energy: 0.7128429697732757
Energy: 0.716025157299903
Energy: 0.7735754585102751
Energy: 0.716025157299903
Energy: 0.7872132925423221
Energy: 0.7121343456447687
Energy: 0.7121990283509212
Energy: 0.7121343456455042
Energy: 0.7872132925423221
Energy: 0.7121343456447687
Energy: 0.7832254375705778
Energy: 0.731075355291237
Energy: 0.7832254375705778
Energy: 0.7310753552905016
Energy: 0.7832254375705778
Energy: 0.7310753552905016
Energy: 0.6960143607864732
Energy: 0.7346119630301885
Energy: 0.6962340319944602
Energy: 0.7346119630294532
Energy: 0.6960143607857379
Energy: 0.7346119630294532
Energy: 0.7427389000237539
Energy: 0.7834759701434276
Energy: 0.7427389000237539
Energy: 0.7286634068451132
Energy: 0.7427389000237539
Energy: 0.7286634068451132
Energy: 0.6959346841609184
Energy: 0.7350144954853106
Energy: 0.6959346841601831
Energy: 0.7350144954853106
Energy: 0.6959346841609184
Energy: 0.7350144954853106
Energy: 0.7110043964942442
Energy: 0.7319589665503892
Energy: 0.7110043964942442
Energy: 0.7319589665496539
Energy: 0.7110043964942442
Energy: 0.7319589665503892
Energy: 0.7120125130071389
Energy: 0.7142410518705816
Energy: 0.7120125130064037
Energy: 0.7142410518705816
Energy: 0.7120125130064037
Energy: 0.7142410518705816
Energy: 0.7436622725126293
Energy: 0.7448495181098626
Energy: 0.7436622725148353
Energy: 0.7448495181128039
Energy: 0.743662272507482
Energy: 0.7448495181032444
Energy: 0.8445299112476504
Energy: 0.7085294207962359
Energy: 0.836477755619547
Energy: 0.7085294207962359
Energy: 0.844529911246915
Energy: 0.7085294207962359
Energy: 0.7499409648786142
Energy: 0.7919154062860339
Energy: 0.7501124472982637
Energy: 0.7919154012908918
Energy: 0.7499409648786142
Energy: 0.7919153884995098

minimum gb energy = 0.6950340003853237 eV
minimum distance =  2.2586614642239 Angstroms
sigma value = 17


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

Energy: 0.709158500322485
Energy: 0.6818856888336696
Energy: 0.709158500322485
Energy: 0.6818856888336696
Energy: 0.709158500322485
Energy: 0.6818856888336696
Energy: 0.661311672272406
Energy: 0.6501332011997097
Energy: 0.661311672272406
Energy: 0.6501332011997097
Energy: 0.661311672272406
Energy: 0.6501332011997097
Energy: 0.7058399379120532
Energy: 0.7749777988083077
Energy: 0.7058399379120532
Energy: 0.7749777988083077
Energy: 0.7058399379120532
Energy: 0.7749777988083077
Energy: 0.6338808487944115
Energy: 0.7863689981928941
Energy: 0.6338808487944115
Energy: 0.7863689981928941
Energy: 0.6338808487944115
Energy: 0.7863689981928941
Energy: 0.7086148549233455
Energy: 0.762535769236122
Energy: 0.7086148549233455
Energy: 0.762535769236122
Energy: 0.7086148549233455
Energy: 0.762535769236122
Energy: 0.7223618807612797
Energy: 0.7545173692595177
Energy: 0.7223618807612797
Energy: 0.7545173692584778
Energy: 0.7223618807612797
Energy: 0.7545173692595177
Energy: 0.7200135808559333
Energy: 0.6642223577536919
Energy: 0.7200135808559333
Energy: 0.6642223577536919
Energy: 0.7200135808559333
Energy: 0.6642223577547316
Energy: 0.6342402774686069
Energy: 0.7368360393298139
Energy: 0.6342402774686069
Energy: 0.7368360393298139
Energy: 0.6342402774686069
Energy: 0.7368360393298139
Energy: 0.7542089236377285
Energy: 0.6697616567892634
Energy: 0.7542089236387685
Energy: 0.6697616567892634
Energy: 0.7542089236387685
Energy: 0.6697616567892634
Energy: 0.7020087050150252
Energy: 0.6596319472492868
Energy: 0.7020087050150252
Energy: 0.6596319472492868
Energy: 0.7020087050150252
Energy: 0.6596319472492868
Energy: 0.6909914771312412
Energy: 0.6467678698628917
Energy: 0.6909914771312412
Energy: 0.6467678698628917
Energy: 0.6909914771322812
Energy: 0.6467678698628917
Energy: 0.6935539405607426
Energy: 0.6765467382810537
Energy: 0.6935539405607426
Energy: 0.6765467382810537
Energy: 0.6935539405607426
Energy: 0.6765467382810537
Energy: 0.6161444093695726
Energy: 0.7580983176523717
Energy: 0.6161444093695726
Energy: 0.7580983176523717
Energy: 0.6161444093695726
Energy: 0.7580983176523717
Energy: 0.7023335747274437
Energy: 0.7729501202776626
Energy: 0.7023335747274437
Energy: 0.7729501202776626
Energy: 0.7023335747274437
Energy: 0.7729501202776626
Energy: 0.7301269061827154
Energy: 0.6342608050704319
Energy: 0.7301269061827154
Energy: 0.6342608050704319
Energy: 0.7301269061827154
Energy: 0.6342608050704319
Energy: 0.7221212200798999
Energy: 0.759328467287129
Energy: 0.7221212200539019
Energy: 0.759328467287129
Energy: 0.7221212199645156
Energy: 0.759328467287129
Energy: 0.7006929751229364
Energy: 0.7131866166565751
Energy: 0.7006929751229364
Energy: 0.7131866166565751
Energy: 0.7006929751229364
Energy: 0.7131866166565751

minimum gb energy = 0.6161444093695726 eV
minimum distance =  2.36305275663702 Angstroms
sigma value = 17


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

Energy: 0.635609324908773
Energy: 0.6218119312534807
Energy: 0.6356093249083713
Energy: 0.6218119312538822
Energy: 0.6356093249083713
Energy: 0.6218119312534807
Energy: 0.6307501653099482
Energy: 0.5977721631540943
Energy: 0.6307501653103498
Energy: 0.5977721631540943
Energy: 0.6307501653103498
Energy: 0.5977721631540943
Energy: 0.6564298803183637
Energy: 0.6554682186391791
Energy: 0.6564298803187654
Energy: 0.6554682186391791
Energy: 0.6564298803187654
Energy: 0.6554682186395808
Energy: 0.5789224830374972
Energy: 0.6803563897544362
Energy: 0.5789224830374972
Energy: 0.6803563897544362
Energy: 0.5789224830374972
Energy: 0.6803563897544362
Energy: 0.6299796991217826
Energy: 0.598171880507641
Energy: 0.6299796991257984
Energy: 0.5981718805080426
Energy: 0.6299796991253969
Energy: 0.5981718805080426
Energy: 0.6822898895170058
Energy: 0.6314976370111374
Energy: 0.6822898895170058
Energy: 0.6314976370111374
Energy: 0.6822898895170058
Energy: 0.6314976370111374
Energy: 0.6329174431977252
Energy: 0.6527382400264132
Energy: 0.6329174431973236
Energy: 0.6527382400268148
Energy: 0.6329174431977252
Energy: 0.6527382400264132
Energy: 0.6579991800723866
Energy: 0.6549062190956662
Energy: 0.6579991800727882
Energy: 0.6549062190956662
Energy: 0.6579991800723866
Energy: 0.6549062190952646
Energy: 0.6691245263966511
Energy: 0.6665646837539779
Energy: 0.6691245263966511
Energy: 0.6665646837539779
Energy: 0.6691245263966511
Energy: 0.6665646837539779
Energy: 0.6328694958081608
Energy: 0.5706230797172758
Energy: 0.6328694958081608
Energy: 0.5706230797172758
Energy: 0.6328694958081608
Energy: 0.5706230797172758
Energy: 0.578727339650511
Energy: 0.6555870077114219
Energy: 0.5787273396509126
Energy: 0.6555870077118234
Energy: 0.578727339650511
Energy: 0.655587007712225
Energy: 0.7072889593365445
Energy: 0.6123529381137843
Energy: 0.7072889593365445
Energy: 0.6123529381133828
Energy: 0.7072889593365445
Energy: 0.6123529381133828
Energy: 0.6363978230785597
Energy: 0.6150401704035262
Energy: 0.6363978230781582
Energy: 0.6150401704031245
Energy: 0.6363978230785597
Energy: 0.6150401704031245
Energy: 0.6311729077792441
Energy: 0.6313280770177856
Energy: 0.6311729077792441
Energy: 0.6313280770177856
Energy: 0.6311729077792441
Energy: 0.6313280770173839
Energy: 0.6562788488831247
Energy: 0.6133915398163695
Energy: 0.6562788488831247
Energy: 0.6133915398147631
Energy: 0.6562788488831247
Energy: 0.6133915398163695
Energy: 0.5782571007169509
Energy: 0.6846452121910633
Energy: 0.5782571007169509
Energy: 0.6854985416511101
Energy: 0.5782571007169509
Energy: 0.656761300236604
Energy: 0.6418497862315364
Energy: 0.6742790804940448
Energy: 0.6418497862315364
Energy: 0.6742790804940448
Energy: 0.641849786231938
Energy: 0.6742790804940448
Energy: 0.6853062103315144
Energy: 0.6626767324953091
Energy: 0.6853062103315144
Energy: 0.6626767324953091
Energy: 0.6853062103315144
Energy: 0.6626767324957107
Energy: 0.6579923966467998
Energy: 0.65439806547248
Energy: 0.6579923966231065
Energy: 0.65439806547248
Energy: 0.6579923965637091
Energy: 0.6543980654720783
Energy: 0.6409376750253586
Energy: 0.5711162057846711
Energy: 0.6409376750253586
Energy: 0.5711162057846711
Energy: 0.6409376750253586
Energy: 0.5711162057850728
Energy: 0.6585160218434074
Energy: 0.6546442759689032
Energy: 0.6585160218369821
Energy: 0.6546442759689032
Energy: 0.6585160218237299
Energy: 0.6546442759689032
Energy: 0.6850740940051765
Energy: 0.6623539701835293
Energy: 0.6850740940051765
Energy: 0.6623539701839308
Energy: 0.6850740940051765
Energy: 0.6623539701839308
Energy: 0.6418334476136799
Energy: 0.6742159239333835
Energy: 0.6418334476136799
Energy: 0.6742159239333835
Energy: 0.6418334476132783
Energy: 0.6742159239333835
Energy: 0.5785221295752959
Energy: 0.7155254043058733
Energy: 0.5785221295748944
Energy: 0.7155254043058733
Energy: 0.5785221295748944
Energy: 0.7155254043054717
Energy: 0.656630476963285
Energy: 0.6137620879241458
Energy: 0.6566304769636866
Energy: 0.6137620879241458
Energy: 0.6566304769636866
Energy: 0.6137620879241458
Energy: 0.6313756946784215
Energy: 0.6311540108689725
Energy: 0.6313756946796263
Energy: 0.6311540108689725
Energy: 0.6313756946796263
Energy: 0.6311540108689725
Energy: 0.6361459967160933
Energy: 0.6149406766119737
Energy: 0.6361459967156918
Energy: 0.6149406766119737
Energy: 0.6361459967160933
Energy: 0.6149406766119737
Energy: 0.7070196384426027
Energy: 0.612532798192546
Energy: 0.7070196384422012
Energy: 0.612532798192546
Energy: 0.7070196384426027
Energy: 0.612532798192546
Energy: 0.5786853644494947
Energy: 0.6555645896602299
Energy: 0.5786853644494947
Energy: 0.6555645896602299
Energy: 0.5786853644490931
Energy: 0.6555645896606314
Energy: 0.6327546577128519
Energy: 0.5707083210985593
Energy: 0.6327546577124503
Energy: 0.5707083210985593
Energy: 0.6327546577128519
Energy: 0.5707083210985593
Energy: 0.6688014440054983
Energy: 0.6664997966876448
Energy: 0.6688014440054983
Energy: 0.6664997966880464
Energy: 0.6688014440054983
Energy: 0.6664997966880464
Energy: 0.6588397507134622
Energy: 0.6552562542987139
Energy: 0.6588397507134622
Energy: 0.6552562542991155
Energy: 0.6588397507138639
Energy: 0.6552562542987139
Energy: 0.6331080424075519
Energy: 0.6528610202583416
Energy: 0.6331080424067488
Energy: 0.6528610202583416
Energy: 0.6331080424071504
Energy: 0.6528610202583416
Energy: 0.6824986847217304
Energy: 0.608269530796212
Energy: 0.6824986847217304
Energy: 0.6082695307966136
Energy: 0.6824986847217304
Energy: 0.608269530796212
Energy: 0.6303341221536184
Energy: 0.5977002525293471
Energy: 0.6303341221548232
Energy: 0.5977002525293471
Energy: 0.6303341221544215
Energy: 0.5977002525289455
Energy: 0.5788342414106963
Energy: 0.6913567631923391
Energy: 0.5788342414106963
Energy: 0.6913567631927406
Energy: 0.5788342414102946
Energy: 0.6913567631923391
Energy: 0.6565067388119304
Energy: 0.6553263288921711
Energy: 0.6565067388123321
Energy: 0.6553263288925726
Energy: 0.6565067388119304
Energy: 0.6553263288921711
Energy: 0.6327077329338868
Energy: 0.5978286452893036
Energy: 0.6327077329338868
Energy: 0.5978286452893036
Energy: 0.6327077329338868
Energy: 0.597828645288902
Energy: 0.6356093249083713
Energy: 0.6218119312534807
Energy: 0.6356093249079697
Energy: 0.6218119312534807
Energy: 0.6356093249083713
Energy: 0.6218119312538822
Energy: 0.6307501653091451
Energy: 0.6028512283099088
Energy: 0.6307501653095466
Energy: 0.6028512283099088
Energy: 0.6307501653099482
Energy: 0.6028512283099088
Energy: 0.6564298803183637
Energy: 0.6554682186391791
Energy: 0.6564298803183637
Energy: 0.6554682186395808
Energy: 0.6564298803187654
Energy: 0.6554682186391791
Energy: 0.5789224830374972
Energy: 0.6803563897544362
Energy: 0.5789224830374972
Energy: 0.6803563897544362
Energy: 0.5789224830374972
Energy: 0.6803563897544362
Energy: 0.6299796991221842
Energy: 0.598171880507641
Energy: 0.6299796991237905
Energy: 0.5981718805080426
Energy: 0.6299796991217826
Energy: 0.598171880507641

minimum gb energy = 0.5706230797172758 eV
minimum distance =  2.39952864605869 Angstroms
sigma value = 57


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

Energy: 0.5863415847501746
Energy: 0.5753276936525868
Energy: 0.5863415847501746
Energy: 0.5753276936525868
Energy: 0.5863415847501746
Energy: 0.5753276936525868
Energy: 0.5780631242491236
Energy: 0.5675284856387774
Energy: 0.5780631242491236
Energy: 0.5675284856387774
Energy: 0.5780631242497775
Energy: 0.5675284856381236
Energy: 0.6220869997608519
Energy: 0.6115938154035654
Energy: 0.6220869997615057
Energy: 0.6115938154029116
Energy: 0.6220869997615057
Energy: 0.6115938154029116
Energy: 0.5456743940738397
Energy: 0.6436010585639452
Energy: 0.5456743940738397
Energy: 0.6436010585632913
Energy: 0.5456743940738397
Energy: 0.6436010585632913
Energy: 0.5807582672967709
Energy: 0.5275619596465142
Energy: 0.5807582672961171
Energy: 0.5275619596465142
Energy: 0.5807582673000403
Energy: 0.5275619596458604
Energy: 0.621809175436959
Energy: 0.5659029232956198
Energy: 0.621809175436959
Energy: 0.5659029232962737
Energy: 0.621809175436959
Energy: 0.5659029232956198
Energy: 0.5378454956733967
Energy: 0.6209143581143082
Energy: 0.5378454956740505
Energy: 0.6209143581143082
Energy: 0.5378454956733967
Energy: 0.6209143581143082
Energy: 0.5902003864043655
Energy: 0.5418883522037751
Energy: 0.5902003864043655
Energy: 0.5421277869107817
Energy: 0.5902003864043655
Energy: 0.5425538096438113
Energy: 0.5870017754771645
Energy: 0.5682728475622814
Energy: 0.5870017754771645
Energy: 0.5682728475629352
Energy: 0.5870017754771645
Energy: 0.5682728475629352
Energy: 0.5823825541686333
Energy: 0.5971084232757723
Energy: 0.5823825541679793
Energy: 0.5971084232757723
Energy: 0.5823825541686333
Energy: 0.5971084232757723
Energy: 0.5382491341208935
Energy: 0.6203628741543236
Energy: 0.5382491341208935
Energy: 0.6203628741419
Energy: 0.5382491341208935
Energy: 0.6203628741458233
Energy: 0.6121308582432418
Energy: 0.5418588276965478
Energy: 0.6121308582432418
Energy: 0.5418588276972016
Energy: 0.6121308582438956
Energy: 0.5418588276972016
Energy: 0.5798715564841127
Energy: 0.6269676515654363
Energy: 0.5798715564847664
Energy: 0.6269676515647824
Energy: 0.5798715564847664
Energy: 0.6269676515647824
Energy: 0.5454597161475729
Energy: 0.6107510067680798
Energy: 0.5454597161475729
Energy: 0.6107510067680798
Energy: 0.5454597161482267
Energy: 0.610751006767426
Energy: 0.6518516058884152
Energy: 0.5746971651135488
Energy: 0.6518516058877614
Energy: 0.5746971651161643
Energy: 0.6518516058884152
Energy: 0.5746971651155104
Energy: 0.5792507051907846
Energy: 0.576721399150604
Energy: 0.5792507051901308
Energy: 0.576721399151258
Energy: 0.5792507051907846
Energy: 0.576721399151258
Energy: 0.5960959882390359
Energy: 0.6685674791632984
Energy: 0.5960959882390359
Energy: 0.6685674791632984
Energy: 0.5960959882390359
Energy: 0.6685674791632984
Energy: 0.6148438184258859
Energy: 0.5748167770508625
Energy: 0.6148438184258859
Energy: 0.5748167770508625
Energy: 0.6148438184258859
Energy: 0.5748167770502086
Energy: 0.5548745801149382
Energy: 0.6198107279387419
Energy: 0.5548745801142843
Energy: 0.6198107279387419
Energy: 0.5548745801149382
Energy: 0.6198107279387419
Energy: 0.5475297980409423
Energy: 0.6408356002969975
Energy: 0.5475297980415962
Energy: 0.6408356002969975
Energy: 0.5475297980409423
Energy: 0.6408356002969975
Energy: 0.6349908211563333
Energy: 0.6158271109707807
Energy: 0.6349908211563333
Energy: 0.6158271109707807
Energy: 0.6349908211563333
Energy: 0.6158271109714344
Energy: 0.538229393989092
Energy: 0.6193700922496574
Energy: 0.538229393988438
Energy: 0.6193700922496574
Energy: 0.538229393989092
Energy: 0.6193700923869108
Energy: 0.594092438646458
Energy: 0.6144197486948075
Energy: 0.594092438646458
Energy: 0.6144197486948075
Energy: 0.594092438646458
Energy: 0.6144197486954615
Energy: 0.6138786644242162
Energy: 0.7704008579779392
Energy: 0.6138786644235623
Energy: 0.7704008579779392
Energy: 0.6138786644190447
Energy: 0.7704008579779392
Energy: 0.6041419989092747
Energy: 0.7620717718449953
Energy: 0.6041419901761265
Energy: 0.7620717718449953
Energy: 0.6041418992507379
Energy: 0.7620717718449953
Energy: 0.5778931209386182
Energy: 0.6134644064914583
Energy: 0.5778931209379644
Energy: 0.6134644064921121
Energy: 0.5778931209386182
Energy: 0.6134644064921121
Energy: 0.5476100008473944
Energy: 0.6204330186545682
Energy: 0.5476100008480483
Energy: 0.6204330187474179
Energy: 0.5476100008480483
Energy: 0.6204330186807232

minimum gb energy = 0.5275619596458604 eV
minimum distance =  2.36679421920726 Angstroms
sigma value = 43


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

Energy: 0.549837473485385
Energy: 0.5194423848114901
Energy: 0.549837473485385
Energy: 0.5194423848119665
Energy: 0.549837473485385
Energy: 0.5194423848119665
Energy: 0.5767726986017029
Energy: 0.5249086329887864
Energy: 0.5767726986021793
Energy: 0.5249086329887864
Energy: 0.5767726986021793
Energy: 0.5249086329887864
Energy: 0.5704485355395131
Energy: 0.5619201023549761
Energy: 0.5704485355395131
Energy: 0.5619201023549761
Energy: 0.5704485355395131
Energy: 0.5619201023554526
Energy: 0.5231710560789862
Energy: 0.5519815894800022
Energy: 0.5231710560789862
Energy: 0.5519815894795258
Energy: 0.5231710560789862
Energy: 0.5519815894800022
Energy: 0.5756255269503548
Energy: 0.5006461801258238
Energy: 0.5756255269503548
Energy: 0.5006461801258238
Energy: 0.5756255269503548
Energy: 0.5006461801258238
Energy: 0.5540768644377956
Energy: 0.5084040429001149
Energy: 0.5540768644377956
Energy: 0.5084040429001149
Energy: 0.5540768644377956
Energy: 0.5084040429001149
Energy: 0.5169284330797326
Energy: 0.5440980916867992
Energy: 0.5169284331054589
Energy: 0.5440980916867992
Energy: 0.5169284331216135
Energy: 0.5440980916863228
Energy: 0.7052121281649137
Energy: 0.4936592266391236
Energy: 0.7052121281653901
Energy: 0.4936592266391236
Energy: 0.7052121281653901
Energy: 0.4936592266391236
Energy: 0.5442535035118558
Energy: 0.5016160418301274
Energy: 0.5442535035118558
Energy: 0.5016160418301274
Energy: 0.5442535035118558
Energy: 0.5016160418301274
Energy: 0.5794677607757239
Energy: 0.5117712232952469
Energy: 0.5794677607752474
Energy: 0.5117712232952469
Energy: 0.5794677607752474
Energy: 0.5117712232952469
Energy: 0.6344966689782653
Energy: 0.5631999202673729
Energy: 0.6344966689787417
Energy: 0.5631999202673729
Energy: 0.6344966689782653
Energy: 0.5631999202673729
Energy: 0.4955968380841244
Energy: 0.5028442459755829
Energy: 0.4955968380841244
Energy: 0.5028442459755829
Energy: 0.4955968380841244
Energy: 0.5028442459755829
Energy: 0.5145801748150414
Energy: 0.4935717089913361
Energy: 0.5145801748155178
Energy: 0.4935717089918125
Energy: 0.5145801748155178
Energy: 0.4935717089918125
Energy: 0.581240169600667
Energy: 0.5570731948150228
Energy: 0.5812401696001906
Energy: 0.5570731948150228
Energy: 0.581240169600667
Energy: 0.5570731948154992
Energy: 0.5110728104750295
Energy: 0.5016605878327863
Energy: 0.5110728104755059
Energy: 0.5016605878323099
Energy: 0.5110728104750295
Energy: 0.5016605878323099
Energy: 0.5324079092702076
Energy: 0.5322623384519973
Energy: 0.5324079092702076
Energy: 0.5322623384519973
Energy: 0.5324079092697312
Energy: 0.5322623384519973
Energy: 0.5164827604648783
Energy: 0.5518676653892898
Energy: 0.5164827604648783
Energy: 0.5518676653892898
Energy: 0.5164827604653547
Energy: 0.5518676653888133
Energy: 0.5307227474382852
Energy: 0.5019734937841088
Energy: 0.5307227474382852
Energy: 0.5019734937836324
Energy: 0.5307227474382852
Energy: 0.5019734937841088
Energy: 0.4813060312577586
Energy: 0.5695583744718722
Energy: 0.4813060312572822
Energy: 0.5695583744718722
Energy: 0.4813060312577586
Energy: 0.5695583744718722
Energy: 0.5312964095446219
Energy: 0.4944924903094195
Energy: 0.5312964095450984
Energy: 0.49449249030894316
Energy: 0.5312964095450984
Energy: 0.49449249030894316
Energy: 0.5667197269253593
Energy: 0.5105292748477765
Energy: 0.5667197269248829
Energy: 0.510529274848253
Energy: 0.5667197269253593
Energy: 0.510529274848253
Energy: 0.5243109111279041
Energy: 0.5214398968253015
Energy: 0.5243109111279041
Energy: 0.521439896825778
Energy: 0.5243109111279041
Energy: 0.5214398968253015
Energy: 0.5301461521002248
Energy: 0.5726813060541514
Energy: 0.5301461521002248
Energy: 0.5726813060541514
Energy: 0.5301461521002248
Energy: 0.5726813060541514
Energy: 0.538169343085672
Energy: 0.5101522275167174
Energy: 0.538169343085672
Energy: 0.5101522275171939
Energy: 0.5381693430851955
Energy: 0.5101522275176703
Energy: 0.48269015542492455
Energy: 0.49326278193583095
Energy: 0.48269015542492455
Energy: 0.49326278193583095
Energy: 0.4826901554254009
Energy: 0.49326278193583095
Energy: 0.49581013254609213
Energy: 0.5516489388235155
Energy: 0.49581013254561573
Energy: 0.5516489388235155
Energy: 0.49581013254609213
Energy: 0.5516489388235155
Energy: 0.5463206510753251
Energy: 0.49472363410199277
Energy: 0.5437329952578261
Energy: 0.49472363410199277
Energy: 0.5463206510753251
Energy: 0.49472363410199277
Energy: 0.456081649214679
Energy: 0.5595754039392263
Energy: 0.456081649214679
Energy: 0.5595754039397026
Energy: 0.456081649214679
Energy: 0.5595754039387499
Energy: 0.49579339541656725
Energy: 0.521800257973872
Energy: 0.49579339541656725
Energy: 0.521800257973872
Energy: 0.49579339541656725
Energy: 0.521800257973872
Energy: 0.5085792298560756
Energy: 0.49246917754438985
Energy: 0.5085792298560756
Energy: 0.49246917754486624
Energy: 0.5085792298560756
Energy: 0.49246917754486624
Energy: 0.5145699365692326
Energy: 0.5022003403893922
Energy: 0.5145699365697091
Energy: 0.5022003403893922
Energy: 0.4607568974685016
Energy: 0.5022003403898686
Energy: 0.4963574685350387
Energy: 0.5052412239114819
Energy: 0.4963574685355151
Energy: 0.5052412239114819
Energy: 0.4963574685350387
Energy: 0.5052412239110055
Energy: 0.4929087646125132
Energy: 0.49360545536223877
Energy: 0.4929087645967916
Energy: 0.49360545536319156
Energy: 0.4929087645572494
Energy: 0.49360545536319156
Energy: 0.5851161343235363
Energy: 0.5607505747622766
Energy: 0.5851161343230598
Energy: 0.5607505747618003
Energy: 0.5851161343230598
Energy: 0.5607505747618003
Energy: 0.5169151526567453
Energy: 0.48914534764356515
Energy: 0.5169151526567453
Energy: 0.48914534764404155
Energy: 0.5169151526567453
Energy: 0.48914534764404155
Energy: 0.44585984758745034
Energy: 0.5600607321361474
Energy: 0.44585984758745034
Energy: 0.5600607321361474
Energy: 0.44585984758745034
Energy: 0.5600607321361474

minimum gb energy = 0.44585984758745034 eV
minimum distance =  2.3375089522831 Angstroms
sigma value = 81


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

Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.5436769531123588
Energy: 0.020361236205691458
Energy: 0.5436769531123588
Energy: 0.020361236205691458
Energy: 0.5436769531123588
Energy: 0.020361236205691458
Energy: 0.5436859036060292
Energy: 0.020441846022366265
Energy: 0.5436859036060292
Energy: 0.020441846022366265
Energy: 0.5436859036060292
Energy: 0.020441846022366265
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.5436769531123588
Energy: 0.020361236209172465
Energy: 0.5436769531123588
Energy: 0.020361236209172465
Energy: 0.5436769531123588
Energy: 0.020361236209172465
Energy: 0.5436859036060292
Energy: 0.020441846020615814
Energy: 0.5436859036060292
Energy: 0.020441846020615814
Energy: 0.5436859036060292
Energy: 0.020441846022366265
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.5436769531123588
Energy: 0.02036123621092292
Energy: 0.5436769531123588
Energy: 0.02036123621092292
Energy: 0.5436769531123588
Energy: 0.02036123621092292
Energy: 0.5436859036060292
Energy: 0.020441846020615814
Energy: 0.5436859036060292
Energy: 0.020441846020615814
Energy: 0.5436859036060292
Energy: 0.020441846020615814
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454
Energy: 0.019026153034465275
Energy: 0.052297359544872454

minimum gb energy = 0.019026153034465275 eV
minimum distance =  2.54743813471742 Angstroms
sigma value = 3


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

Energy: 0.494689265989749
Energy: 0.4004414718526518
Energy: 0.494689265989749
Energy: 0.4004414718531757
Energy: 0.49468926598924895
Energy: 0.4004414718526518
Energy: 0.4144841582470079
Energy: 0.4622481222678894
Energy: 0.4144841582470079
Energy: 0.46224812226736556
Energy: 0.41448415824753176
Energy: 0.46224812226736556
Energy: 0.5178253264528262
Energy: 0.45892265909305735
Energy: 0.4844159391372465
Energy: 0.45892265909305735
Energy: 0.4844159391372465
Energy: 0.45892265909358115
Energy: 0.47796671995528567
Energy: 0.4527386054722824
Energy: 0.47796671995528567
Energy: 0.4527386054717585
Energy: 0.47796671995528567
Energy: 0.4527386054717585
Energy: 0.4040653371697267
Energy: 0.46264653443512493
Energy: 0.4040653371697267
Energy: 0.46264653444612536
Energy: 0.4040653371697267
Energy: 0.46264653443302967
Energy: 0.4868843167673217
Energy: 0.4843795179693535
Energy: 0.4868843167673217
Energy: 0.4843795179693535
Energy: 0.4868843167673217
Energy: 0.4843795179693535
Energy: 0.48360749667396835
Energy: 0.4663925182186754
Energy: 0.48360749667449215
Energy: 0.4663925182186754
Energy: 0.48360749667396835
Energy: 0.4663925182186754
Energy: 0.3992233741716707
Energy: 0.46672235167765774
Energy: 0.3992233741716707
Energy: 0.46672235167818155
Energy: 0.3992233741716707
Energy: 0.46672235167765774
Energy: 0.49606449962503024
Energy: 0.4902822982782329
Energy: 0.49606449962555405
Energy: 0.4902822982777091
Energy: 0.49606449962503024
Energy: 0.4902822982782329
Energy: 0.4533668330930195
Energy: 0.4394701098757633
Energy: 0.4533668330930195
Energy: 0.4394701098757633
Energy: 0.4533668330930195
Energy: 0.4394701098757633
Energy: 0.43209093725195424
Energy: 0.46691259276926866
Energy: 0.43209093725195424
Energy: 0.46691259276926866
Energy: 0.43209093725195424
Energy: 0.46691259276926866
Energy: 0.5111742896016818
Energy: 0.5155569298230879
Energy: 0.511174289601158
Energy: 0.5155569298230879
Energy: 0.5111742896016818
Energy: 0.5155569298230879
Energy: 0.4632536925841304
Energy: 0.411379438110296
Energy: 0.4632536925841304
Energy: 0.41137943811081984
Energy: 0.4632536925841304
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Energy: 0.4521285167581287
Energy: 0.49128394536892483
Energy: 0.4521285167581287
Energy: 0.49128394536892483
Energy: 0.4521285167581287
Energy: 0.49128394536892483
Energy: 0.4850709107750889
Energy: 0.49757032901725834
Energy: 0.4850709107750889
Energy: 0.49757032901725834
Energy: 0.4850709107750889
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Energy: 0.457178647834016
Energy: 0.4030125363886201
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Energy: 0.40301253638914397
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Energy: 0.5150125387884047
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Energy: 0.4733539860697177
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Energy: 0.47335398607024143
Energy: 0.455033187701689
Energy: 0.5628741710563713
Energy: 0.455033187701689
Energy: 0.5628741710563713
Energy: 0.455033187701689
Energy: 0.5628741710563713
Energy: 0.3565055966933966
Energy: 0.4612734195103156
Energy: 0.3565055966933966
Energy: 0.4612734195103156
Energy: 0.3565055966933966
Energy: 0.4612734195103156
Energy: 0.48228030736998856
Energy: 0.45915017904564304
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Energy: 0.45915017904564304
Energy: 0.48228030736998856
Energy: 0.45915017904564304
Energy: 0.4774868297508123
Energy: 0.46183798894281336
Energy: 0.4774868297508123
Energy: 0.46183798894333716
Energy: 0.4774868297508123
Energy: 0.46183798894228945
Energy: 0.47482723847693864
Energy: 0.45961705737265274
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Energy: 0.459617057371605
Energy: 0.47482723847641484
Energy: 0.45961705737370045
Energy: 0.47843073472725495
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Energy: 0.4019136058688979
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Energy: 0.4838328879839083
Energy: 0.48086893043120094
Energy: 0.4838328879839083
Energy: 0.48086893043120094
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Energy: 0.46795433647504775
Energy: 0.4765048690378944
Energy: 0.467954336474524
Energy: 0.47650486903841827
Energy: 0.46795433647504775
Energy: 0.4765048690378944
Energy: 0.5407954051321832
Energy: 0.3966015121823622
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Energy: 0.4864616363471982
Energy: 0.49946966976900325
Energy: 0.48646163634772205
Energy: 0.49946966976900325
Energy: 0.48646163634772205
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Energy: 0.46263733812751834
Energy: 0.4569851264150474
Energy: 0.4626373381353757
Energy: 0.4569851264155712
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Energy: 0.5370300123370856
Energy: 0.4309178252549479
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Energy: 0.4309178252549479
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Energy: 0.49654428653172283
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Energy: 0.5303380686338282
Energy: 0.49654428653172283
Energy: 0.4359133265450393
Energy: 0.45539479670269256
Energy: 0.4359133265445155
Energy: 0.45539479670269256
Energy: 0.4359133265445155
Energy: 0.45539479670269256
Energy: 0.5001536512582778
Energy: 0.46961661746441513
Energy: 0.5001536512582778
Energy: 0.46961661746441513
Energy: 0.5001536512582778
Energy: 0.46961661746441513

minimum gb energy = 0.3565055966933966 eV
minimum distance =  2.40499185114566 Angstroms
sigma value = 67


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

Energy: 0.6484361570696419
Energy: 0.587682017805758
Energy: 0.6484361570696419
Energy: 0.587682017805758
Energy: 0.6484361570696419
Energy: 0.587682017805758
Energy: 0.5887138224612561
Energy: 0.5944161809925382
Energy: 0.5887138224612561
Energy: 0.5944161809925382
Energy: 0.5887138224612561
Energy: 0.5944161809925382
Energy: 0.6239547408234116
Energy: 0.5899844461501046
Energy: 0.6239547408234116
Energy: 0.5899844461501046
Energy: 0.6239547408234116
Energy: 0.5899844461501046
Energy: 0.6279650457435885
Energy: 0.6037914220173588
Energy: 0.6279650457435885
Energy: 0.6037914220173588
Energy: 0.6279650457435885
Energy: 0.6037914220173588
Energy: 0.5227376666351612
Energy: 0.5746464358111246
Energy: 0.5227376666351612
Energy: 0.5746464358111246
Energy: 0.5227376666351612
Energy: 0.5746464358111246
Energy: 0.6250036364540856
Energy: 0.615249634393586
Energy: 0.6250036364540856
Energy: 0.6152496343943324
Energy: 0.6250036364540856
Energy: 0.615249634393586
Energy: 0.5779225780957784
Energy: 0.5775887468476063
Energy: 0.5779225780957784
Energy: 0.57758874684686
Energy: 0.5779225780957784
Energy: 0.5775887468476063
Energy: 0.573290434582926
Energy: 0.5729784246116651
Energy: 0.573290434582926
Energy: 0.5729784246116651
Energy: 0.573290434582926
Energy: 0.5729784246116651
Energy: 0.6476806207655001
Energy: 0.6564543474337524
Energy: 0.6476806207662466
Energy: 0.6564543474330059
Energy: 0.6476806207655001
Energy: 0.6564543474330059
Energy: 0.6089108612116124
Energy: 0.5359918939275115
Energy: 0.6089108612123588
Energy: 0.5359918939275115
Energy: 0.6089108612123588
Energy: 0.5359918939275115
Energy: 0.5972244775410057
Energy: 0.6229794694028641
Energy: 0.5972244775410057
Energy: 0.6229794694028641
Energy: 0.5972244775402593
Energy: 0.6229794694028641
Energy: 0.5806574033705211
Energy: 0.6150136139847104
Energy: 0.5806574033705211
Energy: 0.6150136139847104
Energy: 0.5806574033705211
Energy: 0.6150136139847104
Energy: 0.6076702496722887
Energy: 0.5730501177882289
Energy: 0.6076702496722887
Energy: 0.5730501177889752
Energy: 0.6076702496722887
Energy: 0.5730501177882289
Energy: 0.5820064347180492
Energy: 0.6248633551386601
Energy: 0.5820064347180492
Energy: 0.6248633551386601
Energy: 0.5820064347180492
Energy: 0.6248633551386601
Energy: 0.5866329814199505
Energy: 0.5839911360958658
Energy: 0.5866329814199505
Energy: 0.5839911360958658
Energy: 0.5866329814199505
Energy: 0.5839911360951193
Energy: 0.6236006047906267
Energy: 0.5952805295209654
Energy: 0.6236006047906267
Energy: 0.5952805295209654
Energy: 0.6236006047906267
Energy: 0.5952805295209654
Energy: 0.6051306530346469
Energy: 0.6218973465328557
Energy: 0.6051306530346469
Energy: 0.6218973465328557
Energy: 0.6051306530346469
Energy: 0.6218973465328557
Energy: 0.5998436777308227
Energy: 0.5718016664432438
Energy: 0.5998436777308227
Energy: 0.5718016664432438
Energy: 0.5998436777308227
Energy: 0.5718016664432438
Energy: 0.6106502941414192
Energy: 0.6279163903141843
Energy: 0.6106502941414192
Energy: 0.6279163903141843
Energy: 0.6106502941414192
Energy: 0.6279163903141843
Energy: 0.7148405755560142
Energy: 0.6195266989848881
Energy: 0.7148405755560142
Energy: 0.6195266989841418
Energy: 0.7148405755560142
Energy: 0.6195266989848881
Energy: 0.6391332735269732
Energy: 0.581962048841363
Energy: 0.6391332735269732
Energy: 0.581962048841363
Energy: 0.6391332735269732
Energy: 0.581962048841363
Energy: 0.6377305625175845
Energy: 0.6586171082338261
Energy: 0.6377305625175845
Energy: 0.6586171082338261
Energy: 0.6377305625175845
Energy: 0.6586171082338261
Energy: 0.6485030543888696
Energy: 0.617698582771059
Energy: 0.6485030543888696
Energy: 0.617698582771059
Energy: 0.6485030543888696
Energy: 0.617698582771059

minimum gb energy = 0.5227376666351612 eV
minimum distance =  2.41119910081075 Angstroms
sigma value = 33


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

Energy: 0.7283359743347688
Energy: 0.6481720512780564
Energy: 0.7283359743347688
Energy: 0.64817205127853
Energy: 0.7283359743347688
Energy: 0.6481720512780564
Energy: 0.6564846954837885
Energy: 0.6901742135278722
Energy: 0.6564846954842619
Energy: 0.6901742135278722
Energy: 0.6564846954837885
Energy: 0.6901742135278722
Energy: 0.701996188317717
Energy: 0.6904642816796932
Energy: 0.701996188317717
Energy: 0.6904642816796932
Energy: 0.701996188317717
Energy: 0.6904642816796932
Energy: 0.7053666120244632
Energy: 0.6773800491895015
Energy: 0.7053666120244632
Energy: 0.6773800491895015
Energy: 0.7053666120249366
Energy: 0.6773800491895015
Energy: 0.6680879371835021
Energy: 0.672007158217997
Energy: 0.6680879371835021
Energy: 0.672007158217997
Energy: 0.6680879371835021
Energy: 0.672007158217997
Energy: 0.7514278519366097
Energy: 0.7477119209853622
Energy: 0.7514278519366097
Energy: 0.7477119209848886
Energy: 0.7514278519366097
Energy: 0.7477119209853622
Energy: 0.659511418464532
Energy: 0.6465379521065865
Energy: 0.6595114184640585
Energy: 0.6465379521065865
Energy: 0.659511418464532
Energy: 0.6465379521065865
Energy: 0.710937065681659
Energy: 0.7047850435781752
Energy: 0.710937065681659
Energy: 0.7047850435786487
Energy: 0.710937065681659
Energy: 0.7047850435786487
Energy: 0.6881855436279222
Energy: 0.7110276115269395
Energy: 0.6881855436279222
Energy: 0.7110276115264659
Energy: 0.6881855436279222
Energy: 0.7110276115269395
Energy: 0.7437254702617382
Energy: 0.6845911519921989
Energy: 0.7437254702612646
Energy: 0.667282613351027
Energy: 0.7437254702617382
Energy: 0.6672826133505535
Energy: 0.7090341691885174
Energy: 0.6860237272734069
Energy: 0.7090341691885174
Energy: 0.6860237272734069
Energy: 0.7090341691885174
Energy: 0.6860237272734069
Energy: 0.6584050879191976
Energy: 0.6680856914536666
Energy: 0.6584050879191976
Energy: 0.6680856914536666
Energy: 0.6584050879191976
Energy: 0.6680856914536666
Energy: 0.7203615773690584
Energy: 0.6626066786246958
Energy: 0.7203615773685849
Energy: 0.6626066786246958
Energy: 0.7203615773690584
Energy: 0.6626066786246958
Energy: 0.6647844169943058
Energy: 0.6925394410528461
Energy: 0.6647844169947794
Energy: 0.6925394410528461
Energy: 0.6647844169947794
Energy: 0.6925394410528461
Energy: 0.673320404669633
Energy: 0.6713931910192793
Energy: 0.673320404669633
Energy: 0.6713931910188057
Energy: 0.6733204046701066
Energy: 0.6713931910188057
Energy: 0.7057589129732011
Energy: 0.7072918678327732
Energy: 0.7057589129732011
Energy: 0.7072918678322996
Energy: 0.7057589129732011
Energy: 0.7072918678327732
Energy: 0.6162070529339633
Energy: 0.6916309700354575
Energy: 0.6162070529334899
Energy: 0.691630970034984
Energy: 0.6162070529339633
Energy: 0.6916309700354575
Energy: 0.7221244792912458
Energy: 0.7432476736275796
Energy: 0.7221244792912458
Energy: 0.7432476736275796
Energy: 0.7221244792912458
Energy: 0.7432476736275796
Energy: 0.6506247098218745
Energy: 0.7145644612576263
Energy: 0.6506247098218745
Energy: 0.7145644612576263
Energy: 0.650624709821401
Energy: 0.7145644612576263
Energy: 0.7910850356243577
Energy: 0.6921919592429304
Energy: 0.7910850356243577
Energy: 0.6921919592424569
Energy: 0.7910850356243577
Energy: 0.6921919592429304
Energy: 0.7042140328634577
Energy: 0.705342402936219
Energy: 0.7042140328639314
Energy: 0.7053424029366926
Energy: 0.7042140328634577
Energy: 0.705342402936219
Energy: 0.6823941522845788
Energy: 0.6526082354990009
Energy: 0.6823941522845788
Energy: 0.6526082354990009
Energy: 0.6823941522845788
Energy: 0.6526082354990009
Energy: 0.6932114944196422
Energy: 0.6860633968786876
Energy: 0.6932114944196422
Energy: 0.6860633968786876
Energy: 0.6932114944201159
Energy: 0.6860633968791612
Energy: 0.6967814433571706
Energy: 0.6629324507271142
Energy: 0.6967814433571706
Energy: 0.6629324507271142
Energy: 0.6967814433571706
Energy: 0.6629324507271142
Energy: 0.6579475293264402
Energy: 0.6637188755002301
Energy: 0.6579475293264402
Energy: 0.6637188755002301
Energy: 0.6579475293264402
Energy: 0.6637188755002301
Energy: 0.6908624109784425
Energy: 0.7036492014459336
Energy: 0.6908624109784425
Energy: 0.7036492014459336
Energy: 0.6908624109784425
Energy: 0.7036492014459336
Energy: 0.6576398792846385
Energy: 0.654645198118739
Energy: 0.657639879284165
Energy: 0.654645198118739
Energy: 0.657639879284165
Energy: 0.654645198118739
Energy: 0.704131540548957
Energy: 0.7577579442372192
Energy: 0.7041315405484834
Energy: 0.7577579442372192
Energy: 0.704131540548957
Energy: 0.7577579442372192
Energy: 0.6665807722027103
Energy: 0.6894430613861399
Energy: 0.6665807722027103
Energy: 0.6894430613861399
Energy: 0.6665807722027103
Energy: 0.6894430613861399
Energy: 0.6593198737280487
Energy: 0.6439993405456048
Energy: 0.6593198737280487
Energy: 0.6439993405460783
Energy: 0.6593198737280487
Energy: 0.6439993405456048
Energy: 0.7519330977805565
Energy: 0.7419689595023017
Energy: 0.7519330977800829
Energy: 0.7419689595023017
Energy: 0.7519330977805565
Energy: 0.7419689595023017
Energy: 0.6821382128575048
Energy: 0.6922932591343947
Energy: 0.6821382128575048
Energy: 0.6922932591343947
Energy: 0.6821382128575048
Energy: 0.6922932591343947
Energy: 0.7101324734805555
Energy: 0.7020819599873019
Energy: 0.710132473480082
Energy: 0.7020819599873019
Energy: 0.710132473480082
Energy: 0.7020819599868284
Energy: 0.6798989377669418
Energy: 0.6731751612587785
Energy: 0.6798989377669418
Energy: 0.6731751612592519
Energy: 0.6798989377669418
Energy: 0.6731751612587785
Energy: 0.6625824578664314
Energy: 0.6914236917957943
Energy: 0.6625824578659579
Energy: 0.6914236917957943
Energy: 0.6625824578664314
Energy: 0.6914236917957943
Energy: 0.7092795851323085
Energy: 0.6496043689394443
Energy: 0.7092795851323085
Energy: 0.6496043689394443
Energy: 0.709279585131835
Energy: 0.6496043689394443
Energy: 0.6604666631785141
Energy: 0.670648775087323
Energy: 0.6604666631780406
Energy: 0.670648775087323
Energy: 0.6604666631780406
Energy: 0.6706487750877964

minimum gb energy = 0.6162070529334899 eV
minimum distance =  2.39842121923096 Angstroms
sigma value = 41


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

Energy: 0.8302570513926288
Energy: 0.7983492488101842
Energy: 0.8302570513926288
Energy: 0.7983492488088915
Energy: 0.8302570513939216
Energy: 0.7983492488088915
Energy: 0.711899171116074
Energy: 0.8010321000133226
Energy: 0.711899171116074
Energy: 0.8010321000133226
Energy: 0.711899171116074
Energy: 0.8010321000133226
Energy: 0.9186704323708522
Energy: 0.795884639468736
Energy: 0.8775331816026456
Energy: 0.795884639468736
Energy: 0.8775331816026456
Energy: 0.795884639468736
Energy: 0.8227373453868743
Energy: 0.83946269712752
Energy: 0.8227373453868743
Energy: 0.83946269712752
Energy: 0.8227373453868743
Energy: 0.83946269712752
Energy: 0.7745639495829106
Energy: 0.8084992523730303
Energy: 0.7745639495829106
Energy: 0.8084992523730303
Energy: 0.7745639495829106
Energy: 0.8084992523730303
Energy: 0.8944534228452354
Energy: 0.8496201834886753
Energy: 0.8944534228452354
Energy: 0.8496201834886753
Energy: 0.8944534228452354
Energy: 0.8496201834886753
Energy: 0.8206293534077382
Energy: 0.757956138832736
Energy: 0.8206293534077382
Energy: 0.757956138832736
Energy: 0.8206293534090312
Energy: 0.757956138832736
Energy: 0.8173490461154429
Energy: 0.8008181140215866
Energy: 0.8173490461154429
Energy: 0.8008181140215866
Energy: 0.8173490461154429
Energy: 0.8008181140215866
Energy: 0.7734424361008269
Energy: 0.7744086927261383
Energy: 0.7734424361008269
Energy: 0.7744086927248749
Energy: 0.7734424361008269
Energy: 0.7744086927261383
Energy: 0.8237535091564437
Energy: 0.7941815362821846
Energy: 0.8237535091564437
Energy: 0.7941815362821846
Energy: 0.8237535091564437
Energy: 0.7941815362821846
Energy: 0.7725356596255096
Energy: 0.796221852709601
Energy: 0.7725356596255096
Energy: 0.796221852709601
Energy: 0.7725356596255096
Energy: 0.796221852709601
Energy: 0.8105378338362527
Energy: 0.8004502970679711
Energy: 0.8105378338362527
Energy: 0.8004502970679711
Energy: 0.8105378338362527
Energy: 0.8004502970679711
Energy: 0.821475529419394
Energy: 0.838164935395634
Energy: 0.821475529419394
Energy: 0.838164935395634
Energy: 0.821475529419394
Energy: 0.838164935395634
Energy: 0.7751649586686731
Energy: 0.8012444029129328
Energy: 0.7751649586686731
Energy: 0.8012444029129328
Energy: 0.7751649586686731
Energy: 0.8012444029129328

minimum gb energy = 0.711899171116074 eV
minimum distance =  2.3704811295883 Angstroms
sigma value = 11


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

Energy: 0.9628318571453424
Energy: 0.924477386414966
Energy: 0.9628318571459102
Energy: 0.924477386414966
Energy: 0.9628318571459102
Energy: 0.924477386414966
Energy: 0.8667721610636961
Energy: 0.8970604249172963
Energy: 0.8667721610631283
Energy: 0.8970604249172963
Energy: 0.8667721610636961
Energy: 0.8970604249172963
Energy: 0.9571438977109097
Energy: 0.9029952919266236
Energy: 0.9571438977109097
Energy: 0.9029952919266236
Energy: 0.9571438977109097
Energy: 0.9029952919266236
Energy: 0.9154898384317188
Energy: 0.8706659185341498
Energy: 0.9154898384317188
Energy: 0.8706659185341498
Energy: 0.9154898384317188
Energy: 0.8706659185341498
Energy: 0.9369376260630933
Energy: 0.8937543889508173
Energy: 0.9369376260636613
Energy: 0.8937543889508173
Energy: 0.9369376260630933
Energy: 0.8937543889508173
Energy: 0.8926820862638971
Energy: 0.9103831101489173
Energy: 0.8926820862638971
Energy: 0.9103831101489173
Energy: 0.8926820862638971
Energy: 0.9103831101489173
Energy: 0.9182150242339491
Energy: 0.8977232780959156
Energy: 0.9182150242339491
Energy: 0.8977232780959156
Energy: 0.9182150242339491
Energy: 0.8977232780959156
Energy: 0.899815644812473
Energy: 0.9087592446326875
Energy: 0.899815644812473
Energy: 0.9087592446326875
Energy: 0.8998156448119051
Energy: 0.9087592446326875
Energy: 0.9136605314874982
Energy: 0.9067307911873889
Energy: 0.9136605314874982
Energy: 0.9067307911873889
Energy: 0.9136605314874982
Energy: 0.9067307911873889
Energy: 0.8992220063166477
Energy: 0.9241710172497184
Energy: 0.8992220063166477
Energy: 0.9241710172497184
Energy: 0.8992220063166477
Energy: 0.9241710172497184
Energy: 0.8714938528773687
Energy: 0.883137432616946
Energy: 0.8714938528773687
Energy: 0.883137432616378
Energy: 0.8714938528773687
Energy: 0.883137432616946
Energy: 0.9325940981746238
Energy: 0.9113179300120192
Energy: 0.9325940981746238
Energy: 0.9113179300120192
Energy: 0.9325940981746238
Energy: 0.9113179300120192
Energy: 0.917887359120625
Energy: 0.8914586647364502
Energy: 0.917887359120625
Energy: 0.8914586647370182
Energy: 0.917887359120625
Energy: 0.8914586647370182
Energy: 0.929169571489361
Energy: 0.9103861076791021
Energy: 0.929169571489361
Energy: 0.9103861076791021
Energy: 0.929169571489361
Energy: 0.9103861076791021
Energy: 0.8892183824452855
Energy: 0.8997558665128594
Energy: 0.8892183824452855
Energy: 0.8997558665128594
Energy: 0.8892183824452855
Energy: 0.8997558665128594
Energy: 0.900047291632268
Energy: 0.9021738298160346
Energy: 0.900047291632268
Energy: 0.9021738298160346
Energy: 0.900047291632268
Energy: 0.9021738298160346
Energy: 0.868792190221077
Energy: 0.9050928400314144
Energy: 0.868792190221077
Energy: 0.9050928400314144
Energy: 0.868792190221077
Energy: 0.9050928400314144
Energy: 0.9208599799706305
Energy: 0.9363365296144472
Energy: 0.9208599799706305
Energy: 0.9363365296144472
Energy: 0.9208599799706305
Energy: 0.9363365296144472
Energy: 0.8995845343188597
Energy: 0.8599181602222499
Energy: 0.8995845343188597
Energy: 0.8599181602222499
Energy: 0.8995845343188597
Energy: 0.8599181602222499
Energy: 0.9030213736056755
Energy: 0.888726429312288
Energy: 0.9030213736051076
Energy: 0.88872642931172
Energy: 0.9030213736045395
Energy: 0.888726429312288
Energy: 0.8775618678474076
Energy: 0.8849275369337991
Energy: 0.8775618678474076
Energy: 0.8849275369337991
Energy: 0.8775618678474076
Energy: 0.8849275369343412
Energy: 0.9322930023107109
Energy: 0.9344082053086845
Energy: 0.9322930023107109
Energy: 0.9344082053086845
Energy: 0.9322930023107109
Energy: 0.9344082053086845
Energy: 0.8978179880346103
Energy: 0.9031282032654518
Energy: 0.8978179880346103
Energy: 0.9031282032654518
Energy: 0.8978179880346103
Energy: 0.9031282032654518
Energy: 0.9331266706378483
Energy: 0.8970519717045203
Energy: 0.9331266706378483
Energy: 0.8970519717045203
Energy: 0.9331266706378483
Energy: 0.8970519717045203
Energy: 0.8880521178623155
Energy: 0.909467638919818
Energy: 0.8880521178628835
Energy: 0.909467638919818
Energy: 0.8880521178628835
Energy: 0.909467638919818
Energy: 0.8871277825947499
Energy: 0.8882817795276645
Energy: 0.8871277825947499
Energy: 0.8882817795282324
Energy: 0.8871277825947499
Energy: 0.8882817795276645
Energy: 0.8949931024285654
Energy: 0.9513921851676328
Energy: 0.8949931024285654
Energy: 0.9513921851676328
Energy: 0.8949931024285654
Energy: 0.9513921851676328
Energy: 0.9107879243084048
Energy: 0.8838570542994914
Energy: 0.9107879243089727
Energy: 0.8838570542994914
Energy: 0.9107879243084048
Energy: 0.8838570542994914
Energy: 0.8974634401757855
Energy: 0.9096002380203991
Energy: 0.8974634401757855
Energy: 0.9096002380203991
Energy: 0.8974634401757855
Energy: 0.9096002380203991
Energy: 0.8862441080965986
Energy: 0.857493764585533
Energy: 0.8862441080965986
Energy: 0.857493764585533
Energy: 0.8862441080965986
Energy: 0.857493764585533
Energy: 0.8997228231792143
Energy: 0.9625233268095522
Energy: 0.8997228231792143
Energy: 0.9625233268095522
Energy: 0.8997228231786464
Energy: 0.9625233268095522

minimum gb energy = 0.857493764585533 eV
minimum distance =  2.33706943449852 Angstroms
sigma value = 57


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

Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8907990048312965
Energy: 0.8737548943673286
Energy: 0.8657288415073664
Energy: 0.8784852682980246
Energy: 0.8657288415073664
Energy: 0.8784852682990353
Energy: 0.8657288415063559
Energy: 0.8784852682980246
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.8643438190797205
Energy: 0.8829881638458321
Energy: 0.8643438190797205
Energy: 0.8829881638458321
Energy: 0.8643438190797205
Energy: 0.8829881638458321
Energy: 0.9539685073149843
Energy: 0.8781143724063472
Energy: 0.9539685073139736
Energy: 0.8781143724063472
Energy: 0.9539685073149843
Energy: 0.8781143724063472
Energy: 0.8660846476972387
Energy: 0.9671333443538335
Energy: 0.8660846476972387
Energy: 0.8729264074934482
Energy: 0.8660846476982493
Energy: 0.8729264074934482
Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8657288415073664
Energy: 0.8784852682980246
Energy: 0.8657288415073664
Energy: 0.8784852682980246
Energy: 0.8657288415063559
Energy: 0.8784852682980246
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.8643438190797205
Energy: 0.84379644656438
Energy: 0.8643438190797205
Energy: 0.84379644656438
Energy: 0.8643438190797205
Energy: 0.84379644656438
Energy: 0.9539685073089205
Energy: 0.8781143724063472
Energy: 0.9539685073079099
Energy: 0.8781143724063472
Energy: 0.9539685073099312
Energy: 0.8781143724063472
Energy: 0.8660846476972387
Energy: 0.8729264074934482
Energy: 0.8660846476982493
Energy: 0.8729264074934482
Energy: 0.8660846476982493
Energy: 0.8729264074934482
Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8907990048312965
Energy: 0.8737548943683393
Energy: 0.8657288415073664
Energy: 0.8784852682980246
Energy: 0.8657288415073664
Energy: 0.8784852682980246
Energy: 0.8657288415073664
Energy: 0.8784852682980246
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.954075852793562
Energy: 0.8781228299129006
Energy: 0.8643438190797205
Energy: 0.84379644656438
Energy: 0.8643438190797205
Energy: 0.84379644656438
Energy: 0.8643438190797205
Energy: 0.84379644656438
Energy: 0.9539685073109417
Energy: 0.8781143724063472
Energy: 0.9539685073119524
Energy: 0.8781143724063472
Energy: 0.9539685073109417
Energy: 0.8781143724063472

minimum gb energy = 0.84379644656438 eV
minimum distance =  2.35582816532811 Angstroms
sigma value = 9


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

Energy: 0.9949980808872144
Energy: 0.898510176327437
Energy: 0.9949980808872144
Energy: 0.898510176327437
Energy: 0.9949980808872144
Energy: 0.898510176327437
Energy: 0.9481471922569149
Energy: 0.8982073090802842
Energy: 0.9481471922569149
Energy: 0.8982073090802842
Energy: 0.9481471922569149
Energy: 0.8982073090802842
Energy: 0.9308653851604352
Energy: 0.903031918088803
Energy: 0.9308653851604352
Energy: 0.903031918088803
Energy: 0.9308653851604352
Energy: 0.903031918088803
Energy: 0.8709637642265275
Energy: 1.0089944572832705
Energy: 0.8709637642265275
Energy: 1.0089944572832705
Energy: 0.8709637642257022
Energy: 1.0089944572832705
Energy: 0.9228362950046792
Energy: 0.9280972045803961
Energy: 0.9228362950046792
Energy: 0.9280972045803961
Energy: 0.9228362950046792
Energy: 0.9280972045803961
Energy: 0.9383532822461724
Energy: 0.8835620966557143
Energy: 0.9383532822461724
Energy: 0.8835620966557143
Energy: 0.9383532822461724
Energy: 0.8835620966557143
Energy: 0.8693009192330624
Energy: 0.9625467387637312
Energy: 0.8693009192330624
Energy: 0.9625467387637312
Energy: 0.8693009192330624
Energy: 0.9625467387637312
Energy: 0.8761267107646102
Energy: 0.9694481795183004
Energy: 0.8761267107646102
Energy: 0.9694481795191255
Energy: 0.8761267107646102
Energy: 0.9694481795183004
Energy: 1.000965864189384
Energy: 0.9243361730501699
Energy: 1.000965864189384
Energy: 0.9243361730501699
Energy: 1.000965864189384
Energy: 0.9243361730501699
Energy: 0.8709246598008251
Energy: 0.9292975477418679
Energy: 0.8709246598008251
Energy: 0.9292975477418679
Energy: 0.8709246598016502
Energy: 0.9292975477418679
Energy: 0.9299816557464927
Energy: 0.9498199502291559
Energy: 0.9299816557464927
Energy: 0.9498199502291559
Energy: 0.9299816557464927
Energy: 0.9498199502291559
Energy: 1.0118518957833114
Energy: 0.8841428333821156
Energy: 1.0118518957833114
Energy: 0.8841428333821156
Energy: 1.0118518957833114
Energy: 0.8841428333821156
Energy: 0.8717870962371073
Energy: 0.9698215475402426
Energy: 0.8717870962371073
Energy: 0.9698215475402426
Energy: 0.8717870962371073
Energy: 0.9698215475402426
Energy: 0.9132564463388384
Energy: 0.9271421868434867
Energy: 0.9132564463388384
Energy: 0.9271421868434867
Energy: 0.9132564463388384
Energy: 0.9271421868434867
Energy: 0.9581621250565989
Energy: 0.8824385595125679
Energy: 0.9581621250565989
Energy: 0.8824385595125679
Energy: 0.9581621250565989
Energy: 0.8824385595125679
Energy: 0.9172691587792569
Energy: 0.9608821718710162
Energy: 0.9172691587792569
Energy: 0.9608821718710162
Energy: 0.9172691587792569
Energy: 0.9608821718718413
Energy: 0.9399542147615998
Energy: 0.9678458129553484
Energy: 0.9399542147615998
Energy: 0.9678458129553484
Energy: 0.9399542147615998
Energy: 0.9678458129553484
Energy: 1.0276359974889397
Energy: 0.8838200101593504
Energy: 1.0276359974889397
Energy: 0.8838200101593504
Energy: 1.0276359974889397
Energy: 0.8838200101593504
Energy: 0.8852968173214941
Energy: 0.9306955923643353
Energy: 0.8852968173214941
Energy: 0.9306955923643353
Energy: 0.8852968173214941
Energy: 0.9306955923643353
Energy: 0.8964152769058364
Energy: 0.8986578791629599
Energy: 0.8964152769066618
Energy: 0.8986578791629599
Energy: 0.8964152769058364
Energy: 0.8986578791629599
Energy: 1.0146861675808823
Energy: 0.9396592667794403
Energy: 1.0146861675808823
Energy: 0.9396592667794403
Energy: 1.0146861675808823
Energy: 0.9396592667802656

minimum gb energy = 0.8693009192330624 eV
minimum distance =  2.34901564006921 Angstroms
sigma value = 27


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

Energy: 0.9098318006017461
Energy: 0.9182970311266694
Energy: 0.9098318006017461
Energy: 0.9182970311266694
Energy: 0.9098318006024416
Energy: 0.9182970311266694
Energy: 0.8887746311030402
Energy: 0.9091540663842229
Energy: 0.8887746311030402
Energy: 0.9091540663842229
Energy: 0.8887746311030402
Energy: 0.9091540663842229
Energy: 0.9573421713941667
Energy: 0.9013197163539123
Energy: 0.9573421713941667
Energy: 0.9013197163539123
Energy: 0.9573421713934713
Energy: 0.9013197163539123
Energy: 0.9322016338944932
Energy: 0.9569914798931367
Energy: 0.9322016338944932
Energy: 0.9569914798931367
Energy: 0.9322016338944932
Energy: 0.9569914798938322
Energy: 0.9457271958627114
Energy: 0.9084346707019451
Energy: 0.9457271958634069
Energy: 0.9084346707019451
Energy: 0.9457271958634069
Energy: 0.9084346707019451
Energy: 0.9214977106850936
Energy: 0.9095350358038624
Energy: 0.9214977106850936
Energy: 0.9095350358038624
Energy: 0.9214977106850936
Energy: 0.9095350358038624
Energy: 0.9095089646889554
Energy: 0.8894945349782643
Energy: 0.9095089646889554
Energy: 0.8894945349782643
Energy: 0.9095089646889554
Energy: 0.8894945349782643
Energy: 0.9505080980806949
Energy: 0.9525319408523001
Energy: 0.9505080980806949
Energy: 0.9525319408529956
Energy: 0.9505080980806949
Energy: 0.9525319408529956
Energy: 0.8789497133246317
Energy: 0.9096631505827248
Energy: 0.8789497133246317
Energy: 0.9096631505827248
Energy: 0.8789497133239362
Energy: 0.9096631505834204
Energy: 0.9394610142077183
Energy: 0.8899591075984615
Energy: 0.9394610142084139
Energy: 0.8899591075984615
Energy: 0.9394610142084139
Energy: 0.8899591075991572
Energy: 0.9395058064146206
Energy: 0.8900091813509564
Energy: 0.9395058064146206
Energy: 0.8900091813509564
Energy: 0.9395058064146206
Energy: 0.8900091813509564
Energy: 0.8789627553743526
Energy: 0.9101253920399581
Energy: 0.8789627553743526
Energy: 0.9101253920392625
Energy: 0.8789627553743526
Energy: 0.9101253920399581
Energy: 0.9506810593279234
Energy: 0.9515124968432154
Energy: 0.9506810593279234
Energy: 0.9515124968432154
Energy: 0.9506810593279234
Energy: 0.9515124968425197
Energy: 0.9094878772932556
Energy: 0.8895504133727213
Energy: 0.9094878772932556
Energy: 0.8895504133727213
Energy: 0.9094878772932556
Energy: 0.8895504133727213
Energy: 0.9214353636876289
Energy: 0.9096481094478619
Energy: 0.9214353636876289
Energy: 0.9096481094478619
Energy: 0.9214353636869336
Energy: 0.9096481094478619
Energy: 0.9452778297140582
Energy: 0.9084425514690225
Energy: 0.9452778297140582
Energy: 0.9084425514690225
Energy: 0.9452778297140582
Energy: 0.9084425514690225
Energy: 0.9322493461919293
Energy: 0.9569509507155324
Energy: 0.9322493461919293
Energy: 0.9569509507155324
Energy: 0.9322493461919293
Energy: 0.9569509507155324
Energy: 0.9574066031378511
Energy: 0.9016198515905463
Energy: 0.9574066031378511
Energy: 0.9016198515905463
Energy: 0.9574066031378511
Energy: 0.9016198515905463
Energy: 0.8888320630219232
Energy: 0.9088816941966223
Energy: 0.8888320630226187
Energy: 0.9088816941966223
Energy: 0.8888320630219232
Energy: 0.9088816941966223
Energy: 0.9098318006017461
Energy: 0.9182970311266694
Energy: 0.9098318006017461
Energy: 0.9182970311266694
Energy: 0.9098318006024416
Energy: 0.9182970311266694
Energy: 0.8887746311037358
Energy: 0.9091540663842229
Energy: 0.8887746311037358
Energy: 0.9091540663842229
Energy: 0.8887746311030402
Energy: 0.9091540663842229
Energy: 0.9573421713941667
Energy: 0.9013197163539123
Energy: 0.9573421713941667
Energy: 0.9013197163539123
Energy: 0.9573421713941667
Energy: 0.9013197163539123
Energy: 0.9322016338944932
Energy: 0.9569914798931367
Energy: 0.9322016338944932
Energy: 0.9569914798931367
Energy: 0.9322016338944932
Energy: 0.9569914798931367
Energy: 0.9457271958634069
Energy: 0.9084346707019451
Energy: 0.9457271958634069
Energy: 0.9084346707019451
Energy: 0.9457271958634069
Energy: 0.9084346707019451
Energy: 0.9214977106850936
Energy: 0.9095350358038624
Energy: 0.9214977106850936
Energy: 0.9095350358038624
Energy: 0.9214977106850936
Energy: 0.9095350358038624

minimum gb energy = 0.8789497133239362 eV
minimum distance =  2.37961883858211 Angstroms
sigma value = 19


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

Energy: 0.9358885518039761
Energy: 1.0172509984593965
Energy: 0.9358885518039761
Energy: 1.0172509984593965
Energy: 0.9358885518039761
Energy: 1.017250998458796
Energy: 0.9177509022784757
Energy: 0.8940338079234086
Energy: 0.9177509022784757
Energy: 0.8940338079234086
Energy: 0.9177509022784757
Energy: 0.8940338079234086
Energy: 0.9394629631088077
Energy: 0.8825290702305524
Energy: 0.9394629631082072
Energy: 0.8825290702305524
Energy: 0.9394629631082072
Energy: 0.8825290702305524
Energy: 0.8814792775682099
Energy: 0.9184941761279315
Energy: 0.8814792775682099
Energy: 0.9184941761279315
Energy: 0.8814792775682099
Energy: 0.9184941761279315
Energy: 0.8923715160857235
Energy: 0.9091917475787091
Energy: 0.8923715160857235
Energy: 0.9091917475787091
Energy: 0.8923715160857235
Energy: 0.9091917475787091
Energy: 0.9239280756708393
Energy: 0.9078784363558378
Energy: 0.9239280756714398
Energy: 0.9078784363558378
Energy: 0.9239280756714398
Energy: 0.9078784363558378
Energy: 0.8770493529933139
Energy: 1.0054913937416359
Energy: 0.8770493529933139
Energy: 1.0054913937416359
Energy: 0.8770493529933139
Energy: 1.0054913937416359
Energy: 0.8910026303022548
Energy: 0.9155576354031495
Energy: 0.8910026303028551
Energy: 0.9155576354031495
Energy: 0.8910026303022548
Energy: 0.9155576354031495
Energy: 0.9349549127588825
Energy: 0.8763687308634031
Energy: 0.9349549127588825
Energy: 0.8763687308634031
Energy: 0.9349549127588825
Energy: 0.8763687308628028
Energy: 0.8987743656606568
Energy: 0.9060530494879471
Energy: 0.8987743656606568
Energy: 0.9060530494879471
Energy: 0.8987743656606568
Energy: 0.9060530494879471
Energy: 0.8836606245678932
Energy: 1.0472734261780978
Energy: 0.8836606245678932
Energy: 1.0472734261780978
Energy: 0.8836606245684936
Energy: 1.047273426178671
Energy: 0.9356287732517462
Energy: 0.8745599971791087
Energy: 0.9356287732523467
Energy: 0.8745599971791087
Energy: 0.9356287732523467
Energy: 0.8745599971791087
Energy: 0.8898217069324893
Energy: 0.8975973449475728
Energy: 0.8898217069324893
Energy: 0.8975973449475728
Energy: 0.8898217069324893
Energy: 0.8975973449475728
Energy: 0.8917951776225249
Energy: 0.9182079389354485
Energy: 0.8917951776225249
Energy: 0.9182079389354485
Energy: 0.8917951776225249
Energy: 0.9182079389348481
Energy: 0.9196827709537346
Energy: 0.8742035089689566
Energy: 0.9196827709537346
Energy: 0.8742035089689566
Energy: 0.9196827709537346
Energy: 0.8742035089689566
Energy: 0.9459451793171325
Energy: 0.8738210469761158
Energy: 0.9459451793171325
Energy: 0.8738210469761158
Energy: 0.9459451793171325
Energy: 0.8738210469761158
Energy: 0.8813763812381644
Energy: 0.9316125520270693
Energy: 0.8813763812381644
Energy: 0.9316125520270693
Energy: 0.8813763812381644
Energy: 0.9316125520270693
Energy: 0.9113023729798495
Energy: 0.9066673243678011
Energy: 0.9113023729798495
Energy: 0.9066673243678011
Energy: 0.9113023729798495
Energy: 0.9066673243678011
Energy: 0.9856682609693048
Energy: 0.8989740300060195
Energy: 0.9856682609693048
Energy: 0.8989740300060195
Energy: 0.952383919402539
Energy: 0.8989740300060195
Energy: 0.8822431002132335
Energy: 0.9305506445204932
Energy: 0.8822431002132335
Energy: 0.9305506445204932
Energy: 0.8822431002132335
Energy: 0.9305506445204932
Energy: 0.8710838637390849
Energy: 1.0085649677031716
Energy: 0.8710838637384845
Energy: 1.0085649677031716
Energy: 0.8710838637390849
Energy: 1.0085649677031716
Energy: 0.92704381264672
Energy: 0.8765796841233264
Energy: 0.9270438126461195
Energy: 0.8765796841227533
Energy: 0.9270438126449186
Energy: 0.8765796841233264
Energy: 0.9196523083274756
Energy: 0.9069021169031112
Energy: 0.9196523083274756
Energy: 0.9069021169031112
Energy: 0.9196523083274756
Energy: 0.9069021169031112
Energy: 0.9251553765882581
Energy: 0.957205473438852
Energy: 0.9251553765882581
Energy: 0.957205473438852
Energy: 0.9251553765882581
Energy: 0.9572054734382516
Energy: 0.9318872818576545
Energy: 0.8761395154145434
Energy: 0.9318872818576545
Energy: 0.8761395154145434
Energy: 0.9318872818570539
Energy: 0.8761395154145434
Energy: 0.8927467160110814
Energy: 0.8861289997591222
Energy: 0.8927467160110814
Energy: 0.8861289997591222
Energy: 0.8927467160116815
Energy: 0.8861289997591222
Energy: 0.8752635646365227
Energy: 0.9210344832105813
Energy: 0.8752635646365227
Energy: 0.9210344832105813
Energy: 0.8752635646365227
Energy: 0.9210344832105813
Energy: 0.9167362781356504
Energy: 0.8975398598777349
Energy: 0.9167362781356504
Energy: 0.8975398598777349
Energy: 0.9167362781356504
Energy: 0.8975398598777349
Energy: 0.9299055346236675
Energy: 0.8968440238111405
Energy: 0.9299055346236675
Energy: 0.8968440238111405
Energy: 0.9299055346236675
Energy: 0.8968440238111405

minimum gb energy = 0.8710838637384845 eV
minimum distance =  2.32733762207246 Angstroms
sigma value = 101


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

Energy: 0.8837823361477977
Energy: 0.9074734202761001
Energy: 0.8837823361477977
Energy: 0.9074734202761001
Energy: 0.8837823361477977
Energy: 0.9074734202761001
Energy: 0.8785112422762852
Energy: 0.8634711995712252
Energy: 0.8785112422762852
Energy: 0.8527102441843208
Energy: 0.8785112422762852
Energy: 0.8527102441843208
Energy: 0.8874595122280087
Energy: 0.8415834583441067
Energy: 0.8874595122280087
Energy: 0.8415834583441067
Energy: 0.8874595122280087
Energy: 0.8415834583441067
Energy: 0.8282170508309582
Energy: 1.0186838057051202
Energy: 0.8282170508314859
Energy: 0.9123177216969444
Energy: 0.8282170508314859
Energy: 0.9123177216964166
Energy: 0.8515932594702935
Energy: 0.8653105104296898
Energy: 0.8515932594702935
Energy: 0.8653105104302176
Energy: 0.8515932594702935
Energy: 0.8653105104296898
Energy: 0.8921865553475511
Energy: 0.8383953550797087
Energy: 0.8921865553475511
Energy: 0.8383953550797087
Energy: 0.8921865553475511
Energy: 0.8383953550797087
Energy: 0.852320622143482
Energy: 0.8766335998203799
Energy: 0.852320622143482
Energy: 0.8766335998203799
Energy: 0.852320622143482
Energy: 0.8766335998203799
Energy: 0.8284235392518279
Energy: 0.9277578280598415
Energy: 0.8284235392518279
Energy: 0.9049680570314902
Energy: 0.8284235392518279
Energy: 0.9049680570314902
Energy: 0.8897944619647047
Energy: 0.8415839643958447
Energy: 0.8897944619647047
Energy: 0.8415839643958447
Energy: 0.8897944619647047
Energy: 0.8415839643963725
Energy: 0.8546591665708423
Energy: 0.9208894454825152
Energy: 0.8546591665708423
Energy: 0.8703910512130278
Energy: 0.8546591665708423
Energy: 0.8703910512130278
Energy: 0.8269236389647572
Energy: 1.0308985377000195
Energy: 0.8269236389647572
Energy: 1.0308985377000195
Energy: 0.8269236389652609
Energy: 1.0308985377000195
Energy: 0.896359055306069
Energy: 0.8528442137478749
Energy: 0.8963590553065967
Energy: 0.8528442137473471
Energy: 0.896359055306069
Energy: 0.8528442137473471
Energy: 0.8876470745409455
Energy: 0.8418160472742067
Energy: 0.8876470745409455
Energy: 0.8418160472742067
Energy: 0.8876470745409455
Energy: 0.8418160472742067
Energy: 0.883160437703386
Energy: 1.0533434532745731
Energy: 0.883160437703386
Energy: 0.9318481478393584
Energy: 0.8831604377028582
Energy: 0.9318481478393584
Energy: 0.8777198101764663
Energy: 0.8598748488163958
Energy: 0.8777198101764663
Energy: 0.8598748488163958
Energy: 0.8777198101764663
Energy: 0.8598748488158681
Energy: 0.887608435262463
Energy: 0.8432255089095314
Energy: 0.887608435262463
Energy: 0.8432255089095314
Energy: 0.887608435262463
Energy: 0.8432255089095314
Energy: 0.8275455580594385
Energy: 0.8889932052857719
Energy: 0.8275455580594385
Energy: 0.8889932052852442
Energy: 0.8275455580599663
Energy: 0.8889932052852442
Energy: 0.8279509419023835
Energy: 0.8651934742443573
Energy: 0.8279509419029113
Energy: 0.8651934742443573
Energy: 0.8279509419029113
Energy: 0.8651934742443573
Energy: 0.8893140355456561
Energy: 0.8417427797269009
Energy: 0.8893140355451283
Energy: 0.8417427797269009
Energy: 0.8893140355451283
Energy: 0.8417427797274287
Energy: 0.8566757984542247
Energy: 0.849492971239327
Energy: 0.8566757984542247
Energy: 0.849492971239327
Energy: 0.8566757984547525
Energy: 0.849492971239327
Energy: 0.827962688081761
Energy: 0.971169950676779
Energy: 0.8279626880812333
Energy: 0.971169950676779
Energy: 0.827962688081761
Energy: 0.971169950676779
Energy: 0.9060350198024312
Energy: 0.8417262312583019
Energy: 0.9060350198024312
Energy: 0.8417262312583019
Energy: 0.9060350198024312
Energy: 0.8417262312577742
Energy: 0.9075870938870594
Energy: 0.8385877371086904
Energy: 0.9075870938865317
Energy: 0.8385877371086904
Energy: 0.9075870938865317
Energy: 0.8385877371086904
Energy: 0.8282746328862796
Energy: 0.9085623457113716
Energy: 0.8282746328862796
Energy: 0.9085623457118995
Energy: 0.8282746328862796
Energy: 0.9085623457113716
Energy: 0.8957887319576163
Energy: 0.8595134445995213
Energy: 0.8957887319576163
Energy: 0.8595134445995213
Energy: 0.8957887319581441
Energy: 0.8595134445995213
Energy: 0.8874451018528081
Energy: 0.843105595674219
Energy: 0.8874451018528081
Energy: 0.843105595674219
Energy: 0.8874451018528081
Energy: 0.843105595674219
Energy: 0.8805711049454501
Energy: 0.8941753882378416
Energy: 0.8805711049454501
Energy: 0.8941753882378416
Energy: 0.8805711049454501
Energy: 0.8941753882378416
Energy: 0.8777922729577028
Energy: 0.8760314317807971
Energy: 0.8777922729577028
Energy: 0.8760314317807971
Energy: 0.8777922729577028
Energy: 0.8760314317807971
Energy: 0.9089199704121446
Energy: 0.8411842680157876
Energy: 0.9089199704116168
Energy: 0.8411842680157876
Energy: 0.9089199704116168
Energy: 0.8411842680157876
Energy: 0.827684614145915
Energy: 0.8688647791547786
Energy: 0.827684614145915
Energy: 0.8688647791547786
Energy: 0.8276846141464427
Energy: 0.8688647791547786
Energy: 0.8273871466470917
Energy: 0.9053153508786157
Energy: 0.8273871466470917
Energy: 0.905315350878088
Energy: 0.8273871466470917
Energy: 0.905315350878088
Energy: 0.9055805036423787
Energy: 0.8418622180847696
Energy: 0.9055805036423787
Energy: 0.8418622180847696
Energy: 0.9055805036423787
Energy: 0.8418622180847696
Energy: 0.906041885894723
Energy: 0.8386336522875859
Energy: 0.9060418858941953
Energy: 0.8386336522875859
Energy: 0.9060418858941953
Energy: 0.8386336522881136

minimum gb energy = 0.8269236389647572 eV
minimum distance =  2.34461346810792 Angstroms
sigma value = 33


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

Energy: 0.015244942491880404
Energy: 0.7098576659056286
Energy: 0.015244942492294558
Energy: 0.7098576659056286
Energy: 0.015244942491880404
Energy: 0.7098576659056286
Energy: 0.015959413383333548
Energy: 0.263587151758072
Energy: 0.015959413383333548
Energy: 0.263587151758072
Energy: 0.01595941338289503
Energy: 0.263587151758072
Energy: 0.7105014557464444
Energy: 0.2638945083440467
Energy: 0.7104989173786936
Energy: 0.2638945083440467
Energy: 0.7105007410684795
Energy: 0.2638945083440467
Energy: 0.01595941338289503
Energy: 0.263587151758072
Energy: 0.01595941338289503
Energy: 0.2635871517585105
Energy: 0.015959413383333548
Energy: 0.263587151758072

minimum gb energy = 0.015244942491880404 eV
minimum distance =  2.55700027205981 Angstroms
sigma value = 1