Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850243076682091
cohesive_energy=4.290676325982293
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013338714477566547
Energy: 0.013789801886969913
Energy: 0.5161541714255637
Energy: 0.013789801886969913
Energy: 0.013338714477566547
Energy: 0.013789801886969913
Energy: 0.013789801886969913
Energy: 3.092423782660717
Energy: 0.013789801886969913
Energy: 3.0924237826602403
Energy: 0.013789801886969913
Energy: 3.092423782659736
Energy: 0.5161541714260681
Energy: 0.013789801886969913
Energy: 0.013338714477566547
Energy: 0.013789801886969913
Energy: 0.5161541714255637
Energy: 0.013789801886969913
Energy: 0.013789801886969913
Energy: 3.0924237826602403
Energy: 0.013789801886969913
Energy: 3.0924237826602403
Energy: 0.013789801886969913
Energy: 3.0924237826602403
Energy: 0.013338714477566547
Energy: 0.013789801886969913
Energy: 0.5161541714260681
Energy: 0.013789801886969913
Energy: 0.013338714477566547
Energy: 0.013789801886465437
Energy: 0.013789801886969913
Energy: 3.0924237826602403
Energy: 0.013789801886969913
Energy: 3.0924237826602403
Energy: 0.013789801886969913
Energy: 3.0924237826602403

minimum gb energy = 0.013338714477566547 eV
minimum distance =  2.33902894705264 Angstroms
sigma value = 1


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

Energy: 1.2535832439566839
Energy: 1.2355250124184711
Energy: 1.2323455258083695
Energy: 1.2355250124184711
Energy: 1.2535832439566839
Energy: 1.2355250124184711
Energy: 1.2192199121585239
Energy: 1.2114944052282695
Energy: 1.1726229091540463
Energy: 1.2114944052282695
Energy: 1.2192199121597385
Energy: 1.2114944052282695
Energy: 1.1777867193799467
Energy: 1.211475408525469
Energy: 1.24681055505339
Energy: 1.211475408525469
Energy: 1.1777867193799467
Energy: 1.211475408525469
Energy: 1.3311631520705882
Energy: 1.1998382302168327
Energy: 1.1760451812938821
Energy: 1.1998382302168327
Energy: 1.3311631520705882
Energy: 1.1998382302168327
Energy: 1.2734637776473252
Energy: 1.2360246526747884
Energy: 1.2500296324380644
Energy: 1.236024652676003
Energy: 1.2734637776473252
Energy: 1.236024652676003
Energy: 1.2470527467957044
Energy: 1.2116939930086652
Energy: 1.184367528956675
Energy: 1.2116939930086652
Energy: 1.2470527467944903
Energy: 1.2116939930086652
Energy: 1.2465121067830895
Energy: 1.2114602676918886
Energy: 1.1813856499143127
Energy: 1.2114602676918886
Energy: 1.2465121067830895
Energy: 1.2114602676918886
Energy: 1.2993907521372605
Energy: 1.2361536620001983
Energy: 1.1664701957544952
Energy: 1.236153661998984
Energy: 1.2993907521360462
Energy: 1.2361536620001983
Energy: 1.2738419611419571
Energy: 1.2002495187083855
Energy: 1.175119403812362
Energy: 1.2002495187095998
Energy: 1.2738419611419571
Energy: 1.2002495187095998
Energy: 1.248723864806496
Energy: 1.2113994856545636
Energy: 1.1844749752525332
Energy: 1.2113994856545636
Energy: 1.24872386480771
Energy: 1.2113994856545636
Energy: 1.1800748277524153
Energy: 1.2074007524639998
Energy: 1.2190981634474303
Energy: 1.2074007524639998
Energy: 1.18007482775363
Energy: 1.2074007524639998
Energy: 1.1675461865708827
Energy: 1.235680463634351
Energy: 1.167762825049727
Energy: 1.2356804636355654
Energy: 1.1675461865708827
Energy: 1.2356804636355654
Energy: 1.2190716242881994
Energy: 1.2074007524652142
Energy: 1.2158846562717371
Energy: 1.2074007524652142
Energy: 1.2190716242881994
Energy: 1.2074007524664285
Energy: 1.1847962579303943
Energy: 1.2114181994665614
Energy: 1.2487043824058621
Energy: 1.2114181994665614
Energy: 1.18479625792918
Energy: 1.2114181994665614
Energy: 1.174809172970004
Energy: 1.2004275058473652
Energy: 1.2738287424252193
Energy: 1.2004275058473652
Energy: 1.174809172970004
Energy: 1.2004275058473652
Energy: 1.1662949661708917
Energy: 1.2361890029651108
Energy: 1.2994330947167831
Energy: 1.2361890029651108
Energy: 1.1662949661708917
Energy: 1.2361890029651108
Energy: 1.1785241442750414
Energy: 1.211164894545909
Energy: 1.2465068430773178
Energy: 1.211164894545909
Energy: 1.1785241442762553
Energy: 1.211164894545909
Energy: 1.1843654975921012
Energy: 1.211671647152569
Energy: 1.247455631059004
Energy: 1.2116716471537836
Energy: 1.1843654975933156
Energy: 1.2116716471537836
Energy: 1.2818462572009839
Energy: 1.2360230176011657
Energy: 1.2736270905126978
Energy: 1.2360230176011657
Energy: 1.2818462572009839
Energy: 1.2360230176011657
Energy: 1.1762690415540542
Energy: 1.1998432122212979
Energy: 1.3311686272583765
Energy: 1.1998432122212979
Energy: 1.1762690415540542
Energy: 1.1998432122212979
Energy: 1.2468063779762506
Energy: 1.2114855105453581
Energy: 1.1777849505168887
Energy: 1.2114855105465725
Energy: 1.2468063779750362
Energy: 1.2114855105465725
Energy: 1.1725973973793147
Energy: 1.2115471227034795
Energy: 1.2192902700510846
Energy: 1.2115471227034795
Energy: 1.1725973973793147
Energy: 1.2115471227034795
Energy: 1.254557776342316
Energy: 1.2355250124184711
Energy: 1.2535832439566839
Energy: 1.2355250124184711
Energy: 1.254557776342316
Energy: 1.2355250124184711

minimum gb energy = 1.1662949661708917 eV
minimum distance =  2.26181614445114 Angstroms
sigma value = 33


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

Energy: 1.794523114163834
Energy: 1.3167235569168898
Energy: 1.2667818883506445
Energy: 1.3167235569182711
Energy: 1.794523114163834
Energy: 1.3167235569182711
Energy: 1.300848208920813
Energy: 1.2771057617974464
Energy: 1.245491972976725
Energy: 1.2771057617967558
Energy: 1.300848208920813
Energy: 1.2771057617967558
Energy: 1.2266723525065073
Energy: 1.3058841641822612
Energy: 1.3370638389303466
Energy: 1.3058841641808796
Energy: 1.2266723525058165
Energy: 1.3058841641808796
Energy: 1.2839479731686556
Energy: 1.2719147462711446
Energy: 1.3838853142723886
Energy: 1.271914746269763
Energy: 1.283947973170037
Energy: 1.271914746270454
Energy: 1.283890526354938
Energy: 1.2836418551423932
Energy: 1.345809805555343
Energy: 1.2836418551410118
Energy: 1.283890526354938
Energy: 1.2836418551410118
Energy: 1.2564003204868006
Energy: 1.2907478084930513
Energy: 1.2390200273000957
Energy: 1.2907478084944328
Energy: 1.2564003204881822
Energy: 1.2907478084951234
Energy: 1.2575233506294774
Energy: 1.2907654224201335
Energy: 1.3207662165136984
Energy: 1.290765422419443
Energy: 1.2575233506301682
Energy: 1.290765422419443
Energy: 1.252062293662796
Energy: 1.2890246065999342
Energy: 1.2435927237639604
Energy: 1.2890246065999342
Energy: 1.2520622936621053
Energy: 1.2890246065999342
Energy: 1.2555897115842545
Energy: 1.267122511935695
Energy: 1.2571580677486702
Energy: 1.2671225119370764
Energy: 1.2555897115835637
Energy: 1.2671225119370764
Energy: 1.2782167364162944
Energy: 1.3059012570204036
Energy: 1.2832276555156537
Energy: 1.3059012570204036
Energy: 1.278216736416985
Energy: 1.3059012570204036
Energy: 1.2403908265999015
Energy: 1.362989831878601
Energy: 1.2554421251105485
Energy: 1.3629898318779103
Energy: 1.2403908265999015
Energy: 1.3629898318779103
Energy: 1.450681379735516
Energy: 1.2916716136351032
Energy: 1.3005353613625494
Energy: 1.2916716136351032
Energy: 1.450681379735516
Energy: 1.2916716136351032
Energy: 1.3453940047477162
Energy: 1.2756283247611646
Energy: 1.2678049962277957
Energy: 1.2756283247604738
Energy: 1.3453940047477162
Energy: 1.2756283247604738
Energy: 1.2597447902074317
Energy: 1.3056129258137916
Energy: 1.2535300905989506
Energy: 1.305612925813101
Energy: 1.2597447902074317
Energy: 1.305612925813101
Energy: 1.337166948674777
Energy: 1.2912385699600275
Energy: 1.3019096252922484
Energy: 1.2912385699600275
Energy: 1.337166948674086
Energy: 1.2912385699600275
Energy: 1.336948737522147
Energy: 1.2912260668252569
Energy: 1.3005645458009254
Energy: 1.2912260668259474
Energy: 1.3369487375228375
Energy: 1.2912260668259474
Energy: 1.3457946633552231
Energy: 1.285052867649215
Energy: 1.2831333006949854
Energy: 1.2850528676478334
Energy: 1.3457946633545326
Energy: 1.2850528676485244
Energy: 1.3457275047190382
Energy: 1.2776495776469252
Energy: 1.3987775891258356
Energy: 1.2776495776469252
Energy: 1.3457275047204198
Energy: 1.2776495776469252
Energy: 1.2387623946006818
Energy: 1.2889034171765972
Energy: 1.2435206378306394
Energy: 1.288903417177288
Energy: 1.2387623946013726
Energy: 1.288903417177288
Energy: 1.2453995426291957
Energy: 1.267320647565918
Energy: 1.2427442349283415
Energy: 1.2673206475638459
Energy: 1.2453995426291957
Energy: 1.2673206475638459
Energy: 1.450472341552376
Energy: 1.3163069515913834
Energy: 1.2543330226238956
Energy: 1.3163069515913834
Energy: 1.4504723415530665
Energy: 1.3163069515913834
Energy: 1.2620119268535253
Energy: 1.2781830136988253
Energy: 1.2836694218989317
Energy: 1.278183013697444
Energy: 1.2620119268528345
Energy: 1.278183013697444
Energy: 1.2831153026748372
Energy: 1.2839410836197231
Energy: 1.345741267819229
Energy: 1.2839410836204137
Energy: 1.2831153026748372
Energy: 1.2839410836204137
Energy: 1.3784028296563222
Energy: 1.2763787125518689
Energy: 1.2455814699913554
Energy: 1.2763787125504873
Energy: 1.3784028296563222
Energy: 1.2763787125504873
Energy: 1.3013950633818825
Energy: 1.2930564543706236
Energy: 1.3371757792425067
Energy: 1.2930564543706236
Energy: 1.3013950633811917
Energy: 1.2930564543713146
Energy: 1.2653865444805106
Energy: 1.314950631100008
Energy: 1.2517134895302962
Energy: 1.314950631100008
Energy: 1.2653865444805106
Energy: 1.314950631100008
Energy: 1.2665069108600218
Energy: 1.314723383637606
Energy: 1.251713489530987
Energy: 1.3147233836369154
Energy: 1.2665069108600218
Energy: 1.314723383637606
Energy: 1.3016026563045326
Energy: 1.2933052663149944
Energy: 1.3369456629791063
Energy: 1.2933052663149944
Energy: 1.3016026563045326
Energy: 1.2933052663149944
Energy: 1.4052830393739462
Energy: 1.276902112110017
Energy: 1.2578402199657113
Energy: 1.276902112110017
Energy: 1.405283039374637
Energy: 1.276902112110017
Energy: 1.2831490267492671
Energy: 1.2841120391276555
Energy: 1.3457000074803473
Energy: 1.2841120391276555
Energy: 1.2831490267492671
Energy: 1.2841120391276555
Energy: 1.2406010727756973
Energy: 1.2781830136981347
Energy: 1.3489046527500814
Energy: 1.2781830136988253
Energy: 1.2406010727756973
Energy: 1.2781830136988253
Energy: 1.450387151429452
Energy: 1.316433068442369
Energy: 1.2389117509145804
Energy: 1.316433068442369
Energy: 1.450387151428761
Energy: 1.316433068442369
Energy: 1.259175642201196
Energy: 1.2673883675532713
Energy: 1.3420707240853316
Energy: 1.2673883675546527
Energy: 1.259175642201196
Energy: 1.2673883675546527
Energy: 1.238755717967592
Energy: 1.2888477593893746
Energy: 1.2569537813393434
Energy: 1.2888477593907561
Energy: 1.2387557179669013
Energy: 1.2888477593907561
Energy: 1.3456318967265148
Energy: 1.2775312788267936
Energy: 1.3484746073034939
Energy: 1.277531278825412
Energy: 1.3456318967278964
Energy: 1.277531278825412
Energy: 1.3458281411748125
Energy: 1.2850079939273755
Energy: 1.283070700628483
Energy: 1.2850079939273755
Energy: 1.345828141174122
Energy: 1.2850079939273755
Energy: 1.3370765931445
Energy: 1.2912299596866423
Energy: 1.3006783035765521
Energy: 1.2912299596859513
Energy: 1.3370765931445
Energy: 1.2912299596859513
Energy: 1.3369164099243525
Energy: 1.2914603374075828
Energy: 1.3911887212326173
Energy: 1.2914603374089644
Energy: 1.3369164099243525
Energy: 1.2914603374089644
Energy: 1.2883787401208808
Energy: 1.3056651062183673
Energy: 1.2536092268409307
Energy: 1.3056651062183673
Energy: 1.2883787401208808
Energy: 1.3056651062183673
Energy: 1.374240936772747
Energy: 1.2755360730642702
Energy: 1.2687061778295985
Energy: 1.2755360730649608
Energy: 1.3742409367720565
Energy: 1.2755360730649608
Energy: 1.450845160012671
Energy: 1.2916381010841087
Energy: 1.3004243260971098
Energy: 1.2916381010827271
Energy: 1.450845160012671
Energy: 1.2916381010827271

minimum gb energy = 1.2266723525058165 eV
minimum distance =  2.23108843496703 Angstroms
sigma value = 51


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

Energy: 1.663361635909957
Energy: 1.392214799142771
Energy: 1.360554243631497
Energy: 1.3922147991411706
Energy: 1.663361635909957
Energy: 1.392214799142771
Energy: 1.3120332863379258
Energy: 1.325161068943578
Energy: 1.4582706215406467
Energy: 1.325161068943578
Energy: 1.3120332863379258
Energy: 1.325161068943578
Energy: 1.286365275166781
Energy: 1.3280450778990849
Energy: 1.4590404309388307
Energy: 1.3280450778990849
Energy: 1.286365275166781
Energy: 1.3280450778990849
Energy: 1.298203962152435
Energy: 1.325142511306594
Energy: 1.4583038819234697
Energy: 1.325142511306594
Energy: 1.298203962152435
Energy: 1.325142511306594
Energy: 1.2993574421551908
Energy: 1.3257916172230844
Energy: 1.4589824994237919
Energy: 1.3257916172230844
Energy: 1.2993574421551908
Energy: 1.3257916172230844
Energy: 1.4626237557236932
Energy: 1.2770123503585897
Energy: 1.449700375478907
Energy: 1.2770123503585897
Energy: 1.4626237557236932
Energy: 1.2770123503585897
Energy: 1.4626358553514285
Energy: 1.279366550452899
Energy: 1.3457944453725448
Energy: 1.2793665504512988
Energy: 1.4626358553514285
Energy: 1.2793665504512988
Energy: 1.2984622655645788
Energy: 1.3244155099001724
Energy: 1.2790517262240324
Energy: 1.3244155099017727
Energy: 1.2984622655645788
Energy: 1.3244155099017727
Energy: 1.4638313251235686
Energy: 1.3626867158791622
Energy: 1.2166756721317538
Energy: 1.3626867158791622
Energy: 1.4638313251235686
Energy: 1.3626867158791622
Energy: 1.2873462433827505
Energy: 1.3288502805370535
Energy: 1.2793082277649246
Energy: 1.3288502805370535
Energy: 1.2873462433843506
Energy: 1.3288502805370535
Energy: 1.4810609626144149
Energy: 1.3102026181869613
Energy: 1.4639026637996053
Energy: 1.3102026181869613
Energy: 1.4810609626144149
Energy: 1.3102026181869613
Energy: 1.4339272121313114
Energy: 1.3919540175549932
Energy: 1.4496402861027224
Energy: 1.3919540175549932
Energy: 1.4339272121313114
Energy: 1.3919540175549932
Energy: 1.3579836257411513
Energy: 1.3249932860710174
Energy: 1.4581530242726697
Energy: 1.3249932860710174
Energy: 1.3579836257411513
Energy: 1.3249932860710174
Energy: 1.287241603361102
Energy: 1.3285383671869107
Energy: 1.459020200129044
Energy: 1.3285383671869107
Energy: 1.2872416033627023
Energy: 1.3285383671869107
Energy: 1.2861330857560345
Energy: 1.328335578083356
Energy: 1.4582371446016504
Energy: 1.328335578083356
Energy: 1.2861330857560345
Energy: 1.328335578083356
Energy: 1.2974300591389554
Energy: 1.3281562616452565
Energy: 1.4589163651022625
Energy: 1.3281562616452565
Energy: 1.2974300591389554
Energy: 1.3281562616452565
Energy: 1.4625677158716324
Energy: 1.3346195238850227
Energy: 1.4494699390619903
Energy: 1.334619523886623
Energy: 1.4625677158716324
Energy: 1.334619523886623
Energy: 1.4639384532786752
Energy: 1.286223093770446
Energy: 1.437695260286581
Energy: 1.2862230937688457
Energy: 1.463938453277075
Energy: 1.2862230937688457

minimum gb energy = 1.2166756721317538 eV
minimum distance =  2.22521587352988 Angstroms
sigma value = 19


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

Energy: 1.7043561736931654
Energy: 1.4036809476996885
Energy: 1.361514315980295
Energy: 1.403680947700638
Energy: 1.7043561736931654
Energy: 1.403680947700638
Energy: 1.2711912781634498
Energy: 1.3777538596045682
Energy: 1.3289574886971396
Energy: 1.3777538596045682
Energy: 1.2711912781625005
Energy: 1.3777538596045682
Energy: 1.2846953962558125
Energy: 1.3834955713148973
Energy: 1.4414952940981594
Energy: 1.3834955713148973
Energy: 1.2846953962548633
Energy: 1.3834955713139483
Energy: 1.3360445245369266
Energy: 1.3553924464917906
Energy: 1.3470122289883046
Energy: 1.3553924464908413
Energy: 1.3360445245369266
Energy: 1.3553924464908413
Energy: 1.2934602084687117
Energy: 1.4116538578259314
Energy: 1.4983369129611115
Energy: 1.4116538578259314
Energy: 1.2934602084687117
Energy: 1.4116538578259314
Energy: 1.3558414139615753
Energy: 1.4126206735986042
Energy: 1.2929308307151692
Energy: 1.4126206735995535
Energy: 1.3558414139606259
Energy: 1.4126206735995535
Energy: 1.3572299620431
Energy: 1.3554540274301468
Energy: 1.3101474703487392
Energy: 1.3554540274310745
Energy: 1.3572299620431
Energy: 1.3554540274310745
Energy: 1.4416798561947106
Energy: 1.3833953580809464
Energy: 1.2846556348636848
Energy: 1.3833953580818954
Energy: 1.4416798561937614
Energy: 1.3833953580818954
Energy: 1.3407250746158899
Energy: 1.352842443011663
Energy: 1.2514516397887285
Energy: 1.352842443013562
Energy: 1.3407250746149406
Energy: 1.3528424430126127
Energy: 1.418187049534724
Energy: 1.3933566946276899
Energy: 1.584769149333712
Energy: 1.3933566946276899
Energy: 1.418187049534724
Energy: 1.3933566946276899
Energy: 1.3289574886971396
Energy: 1.3777538596045682
Energy: 1.2512387034224086
Energy: 1.3777538596045682
Energy: 1.3289574886961903
Energy: 1.3777538596045682
Energy: 1.4414952940981594
Energy: 1.3834955713148973
Energy: 1.2847455551326201
Energy: 1.3834955713148973
Energy: 1.44149529409721
Energy: 1.3834955713148973
Energy: 1.2975504277174832
Energy: 1.3553409566459322
Energy: 1.3360445245369266
Energy: 1.3553409566459322
Energy: 1.2975504277174832
Energy: 1.355340956644983
Energy: 1.5487853451683093
Energy: 1.4115845496910098
Energy: 1.2934602084687117
Energy: 1.411584549691959
Energy: 1.5487853451683093
Energy: 1.411584549691959
Energy: 1.2929382863610084
Energy: 1.4126206735986042
Energy: 1.3558414139606259
Energy: 1.4126206735995535
Energy: 1.2929382863610084
Energy: 1.4126206735995535
Energy: 1.3101920159988196
Energy: 1.3554540274310745
Energy: 1.3572299620431
Energy: 1.355454027432024
Energy: 1.3101920159978706
Energy: 1.355454027432024
Energy: 1.2846556348646339
Energy: 1.3833953580818954
Energy: 1.4416064947420564
Energy: 1.3833953580809464
Energy: 1.2846556348646339
Energy: 1.3833953580809464
Energy: 1.2712158854211206
Energy: 1.3696280141221544
Energy: 1.340693426344748
Energy: 1.3696280141212054
Energy: 1.2712158854211206
Energy: 1.3696280141212054
Energy: 1.7043561736931654
Energy: 1.4036809476987393
Energy: 1.361514315980295
Energy: 1.4036809476996885
Energy: 1.7043561736931654
Energy: 1.4036809476996885
Energy: 1.2711912781634498
Energy: 1.3777538596055174
Energy: 1.3289574886971396
Energy: 1.3777538596045682
Energy: 1.2711912781634498
Energy: 1.3777538596045682
Energy: 1.2846953962558125
Energy: 1.3834955713148973
Energy: 1.44149529409721
Energy: 1.3834955713148973
Energy: 1.2846953962558125
Energy: 1.3834955713148973
Energy: 1.3360445245369266
Energy: 1.3553924464917906
Energy: 1.3470122289883046
Energy: 1.3553924464908413
Energy: 1.3360445245369266
Energy: 1.3553924464908413
Energy: 1.2934602084687117
Energy: 1.4116538578268805
Energy: 1.5489793480907674
Energy: 1.4116538578259314
Energy: 1.2934602084687117
Energy: 1.4116538578259314
Energy: 1.3558414139615753
Energy: 1.4126206735986042
Energy: 1.2929308307151692
Energy: 1.412620673600503
Energy: 1.3558414139615753
Energy: 1.412620673600503
Energy: 1.3572299620431
Energy: 1.3554540274301468
Energy: 1.3101474703487392
Energy: 1.3554540274310745
Energy: 1.3572299620431
Energy: 1.3554540274310745
Energy: 1.4416798561937614
Energy: 1.3833953580809464
Energy: 1.2846556348636848
Energy: 1.3833953580818954
Energy: 1.4416798561947106
Energy: 1.3833953580809464
Energy: 1.3407250746158899
Energy: 1.3528424430126127
Energy: 1.2712158854211206
Energy: 1.352842443013562
Energy: 1.3407250746158899
Energy: 1.352842443013562
Energy: 1.371429225895587
Energy: 1.3933566946276899
Energy: 1.584769149333712
Energy: 1.3933566946276899
Energy: 1.371429225895587
Energy: 1.3933566946276899
Energy: 1.3289574886971396
Energy: 1.3777538596045682
Energy: 1.2512387034224086
Energy: 1.3777538596045682
Energy: 1.3289574886971396
Energy: 1.3777538596045682
Energy: 1.44149529409721
Energy: 1.3834955713148973
Energy: 1.2847455551326201
Energy: 1.3834955713148973
Energy: 1.44149529409721
Energy: 1.3834955713148973

minimum gb energy = 1.2512387034224086 eV
minimum distance =  2.21638683610982 Angstroms
sigma value = 27


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

Energy: 1.358004121510024
Energy: 1.3551768825804136
Energy: 1.4507040767353572
Energy: 1.355176882580863
Energy: 1.3580041215102618
Energy: 1.3551768825811008
Energy: 1.1567516632073547
Energy: 1.329264785295618
Energy: 1.3408424379350055
Energy: 1.3292647852953803
Energy: 1.1567516632073547
Energy: 1.329264785295618
Energy: 1.3507069341483646
Energy: 1.463368098012069
Energy: 1.3510444591917732
Energy: 1.4633680980123067
Energy: 1.3507069341486024
Energy: 1.4633680980125447
Energy: 1.161638205231828
Energy: 1.3012725067792363
Energy: 1.184366269104615
Energy: 1.3012725067783115
Energy: 1.161638205232066
Energy: 1.3012725067783115
Energy: 1.3307143282381715
Energy: 1.3003705914677142
Energy: 1.1840074958431903
Energy: 1.3003705914681898
Energy: 1.330714328237722
Energy: 1.3003705914681898
Energy: 1.3540648252472394
Energy: 1.4644364290402403
Energy: 1.3314183581917758
Energy: 1.464436429040478
Energy: 1.3540648252474774
Energy: 1.4644364290402403
Energy: 1.3411706634583824
Energy: 1.457412324457919
Energy: 1.3510094905589518
Energy: 1.4574123244581303
Energy: 1.3411706634586202
Energy: 1.4574123244581303
Energy: 1.3570491215910712
Energy: 1.3472828620884925
Energy: 1.34133859679855
Energy: 1.3472828620884925
Energy: 1.3570491215913092
Energy: 1.3472828620884925
Energy: 1.3314935843489837
Energy: 1.3498073272751818
Energy: 1.34176094026788
Energy: 1.3498073272749442
Energy: 1.3314935843492217
Energy: 1.3498073272749442
Energy: 1.353357856295313
Energy: 1.4635158158098172
Energy: 1.3545653737439936
Energy: 1.4635158158098172
Energy: 1.3533578562955508
Energy: 1.4635158158098172
Energy: 1.3424691426866624
Energy: 1.3004576660848939
Energy: 1.1830415331839264
Energy: 1.3004576660853693
Energy: 1.3424691426868738
Energy: 1.3004576660855807
Energy: 1.3412120236606047
Energy: 1.300789412754716
Energy: 1.1619199448991333
Energy: 1.3007894127549273
Energy: 1.3412120236603668
Energy: 1.300789412754716

minimum gb energy = 1.1567516632073547 eV
minimum distance =  2.2338913377717 Angstroms
sigma value = 9


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

Energy: 1.5888047197379647
Energy: 1.479816563000357
Energy: 1.3438777355972973
Energy: 1.4798165629997038
Energy: 1.5888047197379647
Energy: 1.479816563000357
Energy: 1.3331692260314194
Energy: 1.4172757010983614
Energy: 1.2953527737638997
Energy: 1.417275701099015
Energy: 1.3331692260307662
Energy: 1.417275701099015
Energy: 1.285277568993059
Energy: 1.4678141914289953
Energy: 1.2973861203139467
Energy: 1.4678141914289953
Energy: 1.2852775689924054
Energy: 1.4678141914289953
Energy: 1.2556006079337096
Energy: 1.4387287113094342
Energy: 1.2229654539738368
Energy: 1.4387287113094342
Energy: 1.2556006079330564
Energy: 1.4387287113094342
Energy: 1.2535842169873956
Energy: 1.4374549014733737
Energy: 1.24237347453804
Energy: 1.4374549014733737
Energy: 1.2535842169867422
Energy: 1.4374549014740272
Energy: 1.233727471011298
Energy: 1.382644820913394
Energy: 1.292195971310318
Energy: 1.3826448209127404
Energy: 1.233727471011298
Energy: 1.382644820913394
Energy: 1.384014267714103
Energy: 1.4538919788521207
Energy: 1.292150842114081
Energy: 1.4538919788521207
Energy: 1.384014267714103
Energy: 1.4538919788521207
Energy: 1.420432985917864
Energy: 1.4387044404895455
Energy: 1.3103463003937819
Energy: 1.4387044404895455
Energy: 1.420432985917864
Energy: 1.4387044404895455
Energy: 1.3344368151213506
Energy: 1.3892623543083764
Energy: 1.3117910986868164
Energy: 1.3892623543083764
Energy: 1.3344368151213506
Energy: 1.3892623543083764
Energy: 1.417021277197815
Energy: 1.4684064054731705
Energy: 1.2531714152225768
Energy: 1.4684064054731705
Energy: 1.417021277197815
Energy: 1.4684064054731705
Energy: 1.3301026343932723
Energy: 1.4251329731411297
Energy: 1.2952126175848744
Energy: 1.4251329731411297
Energy: 1.3301026343932723
Energy: 1.4251329731417832
Energy: 1.2983000267194786
Energy: 1.4383928962990868
Energy: 1.2975188810372502
Energy: 1.4383928962990868
Energy: 1.2983000267201321
Energy: 1.4383928962990868
Energy: 1.232237586588962
Energy: 1.384086143365026
Energy: 1.2271081042080614
Energy: 1.384086143365026
Energy: 1.232237586588962
Energy: 1.3840861433643727
Energy: 1.3726349658482815
Energy: 1.46895006305972
Energy: 1.2269505070242057
Energy: 1.4689500630603733
Energy: 1.3726349658489347
Energy: 1.4689500630603733
Energy: 1.302243454212372
Energy: 1.4406775898051156
Energy: 1.2964060150423595
Energy: 1.4406775898051156
Energy: 1.302243454212372
Energy: 1.4406775898051156
Energy: 1.3188516404037005
Energy: 1.4265043870305947
Energy: 1.2966166617840478
Energy: 1.4265043870305947
Energy: 1.3188516404050072
Energy: 1.4265043870305947
Energy: 1.2977060644523826
Energy: 1.4699294397101483
Energy: 1.2537886428562652
Energy: 1.4699294397101483
Energy: 1.297706064451729
Energy: 1.4699294397101483
Energy: 1.2247307295663508
Energy: 1.3801840611132683
Energy: 1.3053989197686704
Energy: 1.3801840611132683
Energy: 1.2247307295656975
Energy: 1.3801840611132683
Energy: 1.2931034052560773
Energy: 1.4716889355375262
Energy: 1.2319099108377913
Energy: 1.471688935536873
Energy: 1.2931034052560773
Energy: 1.471688935536873
Energy: 1.232135740339291
Energy: 1.4639211271025991
Energy: 1.2321160976094454
Energy: 1.4639211271025991
Energy: 1.2321357403379842
Energy: 1.4639211271025991
Energy: 1.2319112352852777
Energy: 1.4715645309140406
Energy: 1.2929751454036953
Energy: 1.4715645309140406
Energy: 1.2319112352846244
Energy: 1.4715645309133871
Energy: 1.3052976131420462
Energy: 1.3801867231463965
Energy: 1.2243661247965054
Energy: 1.380186723145743
Energy: 1.3052976131420462
Energy: 1.380186723145743
Energy: 1.253768527078454
Energy: 1.4696120395481782
Energy: 1.2977066829579973
Energy: 1.4696120395481782
Energy: 1.253768527078454
Energy: 1.4696120395481782
Energy: 1.2965556916054783
Energy: 1.4264892811974128
Energy: 1.3188102451084251
Energy: 1.4264892811967593
Energy: 1.2965556916054783
Energy: 1.4264892811967593
Energy: 1.2965104287914315
Energy: 1.4406910340587686
Energy: 1.3022429363680943
Energy: 1.4406910340587686
Energy: 1.296510428792085
Energy: 1.4406910340587686
Energy: 1.226819486477012
Energy: 1.4688997148784164
Energy: 1.3725858700315012
Energy: 1.4688997148784164
Energy: 1.226819486477012
Energy: 1.4688997148784164
Energy: 1.2270746623757487
Energy: 1.3839569579867337
Energy: 1.2322201082378006
Energy: 1.3839569579873872
Energy: 1.227074662376402
Energy: 1.3839569579873872
Energy: 1.2965053003780271
Energy: 1.4383536491090232
Energy: 1.2983217574950323
Energy: 1.4383536491090232
Energy: 1.2965053003786804
Energy: 1.4383536491090232
Energy: 1.2953728101308242
Energy: 1.4251497540394575
Energy: 1.2963463580075367
Energy: 1.4251497540394575
Energy: 1.2953728101321311
Energy: 1.4251497540388043
Energy: 1.2531548842479336
Energy: 1.4683944365737627
Energy: 1.4172522759470243
Energy: 1.4683944365744162
Energy: 1.2531548842479336
Energy: 1.4683944365744162
Energy: 1.2949470425963314
Energy: 1.38926235430707
Energy: 1.333869518496479
Energy: 1.3892623543064164
Energy: 1.2949470425963314
Energy: 1.3892623543064164
Energy: 1.3103695037526533
Energy: 1.438711212187853
Energy: 1.4203948111279026
Energy: 1.438711212187853
Energy: 1.3103695037519998
Energy: 1.438711212187853
Energy: 1.2921670838321813
Energy: 1.453732918823301
Energy: 1.3110173988730474
Energy: 1.453732918823301
Energy: 1.2921670838321813
Energy: 1.453732918823301
Energy: 1.2921719645103416
Energy: 1.4335165095128244
Energy: 1.2337213915981877
Energy: 1.4335165095128244
Energy: 1.2921719645103416
Energy: 1.4335165095121711
Energy: 1.2235022415909476
Energy: 1.4374199125166573
Energy: 1.2535834049181198
Energy: 1.4374199125166573
Energy: 1.2235022415909476
Energy: 1.4374199125166573
Energy: 1.2229443945079697
Energy: 1.4387766203643861
Energy: 1.2555970988627954
Energy: 1.4387766203643861
Energy: 1.2229443945079697
Energy: 1.4387766203650394
Energy: 1.2976475007936776
Energy: 1.4678010338262244
Energy: 1.2852788860825677
Energy: 1.4678010338262244
Energy: 1.2976475007943309
Energy: 1.4678010338262244
Energy: 1.2954319550891333
Energy: 1.4091892546075055
Energy: 1.3331790344416874
Energy: 1.4091892546068523
Energy: 1.29543195509044
Energy: 1.4091892546075055
Energy: 1.3283324476325047
Energy: 1.4798165629990505
Energy: 1.5888047197373114
Energy: 1.4798165629997038
Energy: 1.3283324476325047
Energy: 1.4798165629997038
Energy: 1.2953527737638997
Energy: 1.417275701099015
Energy: 1.3331692260327261
Energy: 1.4172757010983614
Energy: 1.2953527737638997
Energy: 1.417275701099015
Energy: 1.2973861203132935
Energy: 1.467814191428342
Energy: 1.285277568993059
Energy: 1.4678141914289953
Energy: 1.2973861203132935
Energy: 1.4678141914289953
Energy: 1.22296545397449
Energy: 1.4387287113094342
Energy: 1.2556006079337096
Energy: 1.4387287113094342
Energy: 1.22296545397449
Energy: 1.4387287113094342
Energy: 1.2606829363053496
Energy: 1.4374549014733737
Energy: 1.2535842169867422
Energy: 1.4374549014733737
Energy: 1.260682936306003
Energy: 1.4374549014733737

minimum gb energy = 1.2229443945079697 eV
minimum distance =  2.21150232805585 Angstroms
sigma value = 57


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

Energy: 1.3236839019904094
Energy: 1.4118401565385696
Energy: 1.3140443322531243
Energy: 1.4118401565385696
Energy: 1.3236839019904094
Energy: 1.4118401565385696
Energy: 1.110865982488601
Energy: 1.3846027406224624
Energy: 1.1373816122286886
Energy: 1.3846027406224624
Energy: 1.110865982488601
Energy: 1.3846027406224624
Energy: 1.1054889749689913
Energy: 1.363692172710377
Energy: 1.1393782073286514
Energy: 1.3636921727088898
Energy: 1.1054889749689913
Energy: 1.363692172710377
Energy: 1.1372072187682665
Energy: 1.3732001836220888
Energy: 1.136861841427525
Energy: 1.3732001836220888
Energy: 1.1372072187682665
Energy: 1.3732001836220888
Energy: 1.137463041313493
Energy: 1.4121847492631014
Energy: 1.1368583776953929
Energy: 1.412184749261614
Energy: 1.137463041313493
Energy: 1.412184749261614
Energy: 1.1376164849331099
Energy: 1.3637855780888672
Energy: 1.1032059691789853
Energy: 1.3637855780888672
Energy: 1.1376164849331099
Energy: 1.3637855780888672
Energy: 1.1375002995804637
Energy: 1.3638192097380708
Energy: 1.1033159936363697
Energy: 1.3638192097380708
Energy: 1.1375002995804637
Energy: 1.3638192097380708
Energy: 1.1374609025551101
Energy: 1.4121406280022688
Energy: 1.1368747096394454
Energy: 1.4121406280022688
Energy: 1.1374609025551101
Energy: 1.412140628003756
Energy: 1.1370877418945196
Energy: 1.3732193406919724
Energy: 1.1369013831976778
Energy: 1.3732193406919724
Energy: 1.1370877418945196
Energy: 1.3732193406919724
Energy: 1.1052742999325145
Energy: 1.3636905879030008
Energy: 1.1395697860936893
Energy: 1.3636905879030008
Energy: 1.1052742999325145
Energy: 1.3636905879030008
Energy: 1.1108821111251472
Energy: 1.3846027406209753
Energy: 1.1374651277364207
Energy: 1.3846027406209753
Energy: 1.1108821111266007
Energy: 1.3846027406224624
Energy: 1.3236839019904094
Energy: 1.4118401565385696
Energy: 1.3140443322516373
Energy: 1.4118401565385696
Energy: 1.3236839019904094
Energy: 1.4118401565385696
Energy: 1.110865982488601
Energy: 1.3846027406224624
Energy: 1.1373816122286886
Energy: 1.3846027406224624
Energy: 1.1108659824871137
Energy: 1.3846027406224624
Energy: 1.1054889749689913
Energy: 1.3636921727088898
Energy: 1.1393782073286514
Energy: 1.3636921727088898
Energy: 1.1054889749689913
Energy: 1.3636921727088898
Energy: 1.1372072187682665
Energy: 1.3732001836220888
Energy: 1.136861841427525
Energy: 1.3732001836220888
Energy: 1.1372072187682665
Energy: 1.3732001836220888
Energy: 1.137463041313493
Energy: 1.412184749261614
Energy: 1.1368583776953929
Energy: 1.4121847492631014
Energy: 1.1374630413149807
Energy: 1.4121847492631014
Energy: 1.1376164849331099
Energy: 1.3637855780888672
Energy: 1.1032059691804725
Energy: 1.3637855780888672
Energy: 1.1376164849331099
Energy: 1.3637855780888672
Energy: 1.1375002995804637
Energy: 1.3638192097380708
Energy: 1.1033159936363697
Energy: 1.3638192097380708
Energy: 1.1375002995804637
Energy: 1.3638192097380708
Energy: 1.1374609025551101
Energy: 1.4121406280022688
Energy: 1.1368747096394454
Energy: 1.4121406280022688
Energy: 1.1374609025551101
Energy: 1.4121406280022688

minimum gb energy = 1.1032059691789853 eV
minimum distance =  2.192853216017 Angstroms
sigma value = 11


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

Energy: 1.1531337988976484
Energy: 1.3401562029983554
Energy: 1.1894485110758433
Energy: 1.3401562029983554
Energy: 1.1531337988976484
Energy: 1.3401562029983554
Energy: 1.0209116142960046
Energy: 1.2917987555547767
Energy: 1.0184799759103578
Energy: 1.2917987555536874
Energy: 1.0209116142949153
Energy: 1.2917987555536874
Energy: 1.151283666727547
Energy: 1.278420931459479
Energy: 1.1025894205939886
Energy: 1.2784209314583892
Energy: 1.151283666727547
Energy: 1.2784209314583892
Energy: 1.0274365322643662
Energy: 1.2709777912572262
Energy: 1.018876696464779
Energy: 1.2709777912572262
Energy: 1.0274365322632766
Energy: 1.2709777912572262
Energy: 1.019215908792404
Energy: 1.3399497348155587
Energy: 1.0760464623599444
Energy: 1.3399497348155587
Energy: 1.0192159087934933
Energy: 1.3399497348155587
Energy: 1.0420793287726628
Energy: 1.315018496239461
Energy: 1.0185079172929585
Energy: 1.315018496239461
Energy: 1.0420793287726628
Energy: 1.315018496239461
Energy: 1.0411179850240622
Energy: 1.278578089982655
Energy: 1.018669741188412
Energy: 1.2785780899815655
Energy: 1.0411179850240622
Energy: 1.2785780899815655
Energy: 1.04424121281889
Energy: 1.3410708565474931
Energy: 1.0287342411062443
Energy: 1.3410708565474931
Energy: 1.04424121281889
Energy: 1.3410708565485825
Energy: 1.0438563561290548
Energy: 1.3399125948279071
Energy: 1.1085821836875698
Energy: 1.3399125948289965
Energy: 1.0438563561301444
Energy: 1.3399125948289965
Energy: 1.042388279275273
Energy: 1.2785152212928277
Energy: 1.0184855499407321
Energy: 1.2785152212917381
Energy: 1.042388279275273
Energy: 1.2785152212917381
Energy: 1.0410005922003494
Energy: 1.3138212661718276
Energy: 1.0186846997098395
Energy: 1.3138212661718276
Energy: 1.0410005921992598
Energy: 1.3138212661718276
Energy: 1.0204796701804244
Energy: 1.3412936407559577
Energy: 1.0192475163086598
Energy: 1.3412936407559577
Energy: 1.020479670181514
Energy: 1.3412936407559577
Energy: 1.0418962674645031
Energy: 1.180845150665608
Energy: 1.0760468461191097
Energy: 1.1808451506666973
Energy: 1.0418962674645031
Energy: 1.1808451506666973
Energy: 1.018776388892614
Energy: 1.2784486319060147
Energy: 1.0412585584981495
Energy: 1.2784486319060147
Energy: 1.018776388892614
Energy: 1.2784486319060147
Energy: 1.021275017848649
Energy: 1.2928874939629198
Energy: 1.0185511208971445
Energy: 1.2928874939629198
Energy: 1.0212750178497385
Energy: 1.2928874939629198
Energy: 1.0296325580256245
Energy: 1.3414141230595906
Energy: 1.045295147121047
Energy: 1.34141412306068
Energy: 1.0296325580245351
Energy: 1.34141412306068
Energy: 1.028019804692491
Energy: 1.2904958116786667
Energy: 1.0446199331210935
Energy: 1.2904958116786667
Energy: 1.0280198046935807
Energy: 1.2904958116786667
Energy: 1.0190868702733435
Energy: 1.2785038484812834
Energy: 1.0674532901312843
Energy: 1.278503848482373
Energy: 1.0190868702733435
Energy: 1.2785038484812834
Energy: 1.028393088898606
Energy: 1.2705672114591446
Energy: 1.018558969455174
Energy: 1.2705672114591446
Energy: 1.028393088898606
Energy: 1.2705672114591446
Energy: 1.0202878401926512
Energy: 1.3409963541886993
Energy: 1.0477285550339945
Energy: 1.3409963541897887
Energy: 1.0202878401926512
Energy: 1.3409963541897887
Energy: 1.0989807996536232
Energy: 1.3183834001245227
Energy: 1.0184153905381168
Energy: 1.318383400125612
Energy: 1.0989807996536232
Energy: 1.3183834001245227
Energy: 1.0424481398051655
Energy: 1.279992319638327
Energy: 1.025849804723833
Energy: 1.2799923196372374
Energy: 1.0424481398051655
Energy: 1.2799923196372374
Energy: 1.0451415668124044
Energy: 1.3432093101083857
Energy: 1.0284667272809642
Energy: 1.3432093101083857
Energy: 1.045141566813494
Energy: 1.3432093101083857
Energy: 1.0211127907560873
Energy: 1.3405771504432493
Energy: 1.0251100896591168
Energy: 1.340577150444339
Energy: 1.0211127907560873
Energy: 1.3405771504432493
Energy: 1.0461384107487892
Energy: 1.2790807868210914
Energy: 1.0184918964159364
Energy: 1.2790807868210914
Energy: 1.0461384107487892
Energy: 1.2790807868210914
Energy: 1.0424984924499836
Energy: 1.3144809528769368
Energy: 1.0254324599645805
Energy: 1.3144809528769368
Energy: 1.0424984924499836
Energy: 1.3144809528769368

minimum gb energy = 1.0184153905381168 eV
minimum distance =  2.22916169875307 Angstroms
sigma value = 41


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

Energy: 1.3675294519356864
Energy: 1.2804828715327488
Energy: 1.1158696838721085
Energy: 1.2804828715327488
Energy: 1.367529451934828
Energy: 1.2804828715327488
Energy: 1.2108107514628272
Energy: 1.183224951155106
Energy: 0.9269386948119156
Energy: 1.183224951155106
Energy: 1.2108107514628272
Energy: 1.183224951155106
Energy: 1.0125655758492846
Energy: 1.2292751945879044
Energy: 0.9594669837281998
Energy: 1.2292751945879044
Energy: 1.0125655758492846
Energy: 1.2292751945879044
Energy: 1.175717862661258
Energy: 1.1566386444992294
Energy: 0.9270219811685817
Energy: 1.1566386444992294
Energy: 1.175717862661258
Energy: 1.1566386444992294
Energy: 1.0206557577101454
Energy: 1.1542827864178196
Energy: 0.9764454378373982
Energy: 1.1542827864178196
Energy: 1.0206557577101454
Energy: 1.1542827864178196
Energy: 1.1878013104373644
Energy: 1.2227163069379106
Energy: 0.9268854931445258
Energy: 1.2227163069379106
Energy: 1.1878013104373644
Energy: 1.2227163069379106
Energy: 0.9280294346455867
Energy: 1.2287252722973265
Energy: 0.9275264147508284
Energy: 1.2287252722973265
Energy: 0.9280294346455867
Energy: 1.2287252722973265
Energy: 1.021031259555468
Energy: 1.241004892155079
Energy: 0.929451074057203
Energy: 1.2410048921542203
Energy: 1.021031259555468
Energy: 1.2410048921542203
Energy: 0.9570053216921227
Energy: 0.9282472089872998
Energy: 1.1369344177302005
Energy: 0.928247208989017
Energy: 0.9570053216912641
Energy: 0.9282472089872998
Energy: 1.19657976536101
Energy: 1.229845940983477
Energy: 1.2221740758061534
Energy: 1.2298459409826186
Energy: 1.19657976536101
Energy: 1.2298459409826186
Energy: 1.1958977018149828
Energy: 1.2356756258646342
Energy: 1.2220470007313242
Energy: 1.2356756258654928
Energy: 1.1958977018149828
Energy: 1.2356756258654928
Energy: 0.959549868226424
Energy: 1.2513016549937954
Energy: 0.9295663985879528
Energy: 1.2410618327850853
Energy: 0.959549868226424
Energy: 1.251301654992937
Energy: 0.9568147670203985
Energy: 1.2072437967658716
Energy: 1.1376329731871544
Energy: 1.2072437967658716
Energy: 0.9568147670203985
Energy: 1.2072437967658716
Energy: 0.9304850117731371
Energy: 1.2301217015542216
Energy: 0.9269200758412539
Energy: 1.2301217015542216
Energy: 0.9304850117731371
Energy: 1.2301217015542216
Energy: 1.1850820978945729
Energy: 1.2253519519359513
Energy: 0.9270372043414221
Energy: 1.2253519519359513
Energy: 1.185082097893714
Energy: 1.2253519519359513
Energy: 0.9275925577485754
Energy: 1.2410021019566753
Energy: 0.9274332997639111
Energy: 1.2515581146836767
Energy: 0.9275925577485754
Energy: 1.2410021019566753
Energy: 0.9312647188539197
Energy: 1.2354913537999526
Energy: 0.9760411938291084
Energy: 1.2354913537999526
Energy: 0.9312647188530611
Energy: 1.2354913537999526
Energy: 0.9312447805065381
Energy: 1.2304099548264125
Energy: 0.9570792119819955
Energy: 1.2304099548264125
Energy: 0.9312447805056794
Energy: 1.2304099548264125
Energy: 1.2108411605761997
Energy: 1.1767961502318092
Energy: 0.9271880590490587
Energy: 1.1767961502318092
Energy: 1.2108411605761997
Energy: 1.1767961502318092
Energy: 1.2218255588808218
Energy: 1.2520475497812915
Energy: 1.0807412830442935
Energy: 1.25204754978215
Energy: 1.2218255588816804
Energy: 1.25204754978215
Energy: 1.1952939049421412
Energy: 1.1806247249090678
Energy: 0.9602550381247111
Energy: 1.1806247249099264
Energy: 1.1952939049421412
Energy: 1.1806247249099264
Energy: 0.9306362385928988
Energy: 1.2303800750934732
Energy: 0.9950573999153672
Energy: 1.2303800750934732
Energy: 0.9306362385928988
Energy: 1.2303800750934732
Energy: 1.1775375739263736
Energy: 1.154112528968199
Energy: 0.9273987335848007
Energy: 1.154112528968199
Energy: 1.1775375739263736
Energy: 1.154112528968199
Energy: 0.9280502179126244
Energy: 1.2021005460877405
Energy: 0.9577416662377385
Energy: 1.2075467677397045
Energy: 0.9280502179126244
Energy: 1.2021005460868817
Energy: 0.9583899334502773
Energy: 1.207337176686788
Energy: 0.9269611780879727
Energy: 1.207337176686788
Energy: 0.9583899334502773
Energy: 1.2073371766859293
Energy: 0.9301561716866731
Energy: 1.1877647880161977
Energy: 0.9279795528488621
Energy: 1.1877647880161977
Energy: 0.9301561716866731
Energy: 1.1877647880161977
Energy: 1.0217088529873242
Energy: 1.2375037069757757
Energy: 0.9295734058092266
Energy: 1.2375037069757757
Energy: 1.0217088529873242
Energy: 1.2375037069757757
Energy: 0.9597223187788904
Energy: 1.2028041397426936
Energy: 1.169875369389711
Energy: 1.18819571051865
Energy: 0.9597223187788904
Energy: 1.18819571051865
Energy: 1.0828647166087628
Energy: 1.2288936700431123
Energy: 1.2218927625722487
Energy: 1.2288936700422537
Energy: 1.0828647166079042
Energy: 1.2288936700422537
Energy: 0.9305972817937428
Energy: 1.0519191932606629
Energy: 1.2220286945567653
Energy: 1.0519191932615213
Energy: 0.9305972817937428
Energy: 1.0519191932615213
Energy: 0.9567842878153526
Energy: 1.2290729867391283
Energy: 0.9295567215038705
Energy: 1.2290729867391283
Energy: 0.9567842878153526
Energy: 1.2290729867391283
Energy: 0.9599392184005345
Energy: 1.2206554313863218
Energy: 1.1697035969409486
Energy: 1.2206554313863218
Energy: 0.9599392184005345
Energy: 1.2206554313863218
Energy: 0.9273572814143886
Energy: 1.2287371979148596
Energy: 0.9270663568236407
Energy: 1.2287371979148596
Energy: 0.9273572814152473
Energy: 1.2287371979148596

minimum gb energy = 0.9268854931445258 eV
minimum distance =  2.21553065755316 Angstroms
sigma value = 33


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

Energy: 1.1420439799852729
Energy: 1.0820660217036935
Energy: 0.9883202132333604
Energy: 1.0820660217036935
Energy: 1.1420439799846702
Energy: 1.0820660217036935
Energy: 1.5775442451877968
Energy: 0.8638243369394971
Energy: 0.8201415513251247
Energy: 0.8638243369388945
Energy: 1.5775442451883994
Energy: 0.8638243369382919
Energy: 1.1217142079106683
Energy: 1.0932211718045677
Energy: 0.9133503517202016
Energy: 1.0932211718033626
Energy: 1.1217142079118736
Energy: 1.093221171803965
Energy: 1.4339840758209783
Energy: 0.8354502773571167
Energy: 0.8199417579238533
Energy: 0.8354502773565142
Energy: 1.4339840758203755
Energy: 0.8354502773565142
Energy: 0.8799682651454727
Energy: 1.0862679531047754
Energy: 0.8391886091258411
Energy: 1.0862679531041728
Energy: 0.8799682651454727
Energy: 1.0862679531041728
Energy: 1.2902140784777227
Energy: 1.0555497155457358
Energy: 0.819852970704296
Energy: 1.055549715545133
Energy: 1.2902140784777227
Energy: 1.055549715545133
Energy: 0.873063695024315
Energy: 1.0586168449082232
Energy: 0.8241394993078568
Energy: 1.0586168449082232
Energy: 0.8730636950237125
Energy: 1.0586168449082232
Energy: 1.1620232411562106
Energy: 0.8230975663963948
Energy: 0.8168261402681563
Energy: 0.8230975663963948
Energy: 1.1620232411562106
Energy: 0.8230975663976
Energy: 0.8186410218696456
Energy: 1.0861738509359027
Energy: 0.9691680297355857
Energy: 1.0861738509365053
Energy: 0.8186410218696456
Energy: 1.0861738509359027
Energy: 1.0069291882384919
Energy: 1.0785811646020633
Energy: 1.0264135211537413
Energy: 1.0785811646014605
Energy: 1.0069291882390945
Energy: 1.0785811646020633
Energy: 0.8203806017540929
Energy: 1.0599802739598618
Energy: 1.0266422542684706
Energy: 1.0599802739604642
Energy: 0.8203806017546956
Energy: 1.0599802739604642
Energy: 1.2979245679691145
Energy: 1.0954225596688247
Energy: 1.0375153958792374
Energy: 1.0954225596688247
Energy: 1.2979245679691145
Energy: 1.0954225596688247
Energy: 1.0311692352153792
Energy: 1.077838126345941
Energy: 1.2258013620899428
Energy: 1.0778381263453385
Energy: 1.0311692352153792
Energy: 1.0778381263453385
Energy: 1.015891445882193
Energy: 1.0954961852193192
Energy: 1.2945717029410724
Energy: 1.0954961852187168
Energy: 1.0158914458827955
Energy: 1.0954961852187168
Energy: 1.0119424834679631
Energy: 1.059968852870579
Energy: 1.2946212782437476
Energy: 1.059968852869374
Energy: 1.0119424834673605
Energy: 1.0599688528699767
Energy: 1.0337841137457413
Energy: 1.0959848003080594
Energy: 1.0375559103298262
Energy: 1.0959848003080594
Energy: 1.0337841137451387
Energy: 1.0959848003080594
Energy: 1.0314308334223354
Energy: 1.0774601984744288
Energy: 1.287552267542779
Energy: 1.0774601984732237
Energy: 1.0314308334223354
Energy: 1.0774601984732237
Energy: 0.8240227245108954
Energy: 1.0954000637972232
Energy: 1.0266595231395241
Energy: 1.0954000637972232
Energy: 0.8240227245102928
Energy: 1.0954000637972232
Energy: 1.0116443376948043
Energy: 1.07443492883673
Energy: 1.0265122104317321
Energy: 1.07443492883673
Energy: 1.0116443376948043
Energy: 1.0744349288373325
Energy: 0.8226191813159558
Energy: 1.0918042801250263
Energy: 0.8170610603687122
Energy: 1.0918042801262318
Energy: 0.8226191813159558
Energy: 1.0918042801262318
Energy: 1.031222066192013
Energy: 1.0680120877291417
Energy: 1.0163499370793325
Energy: 1.0680120877285393
Energy: 1.0312220661914104
Energy: 1.0680120877291417
Energy: 0.8171546584788817
Energy: 1.095631748507983
Energy: 0.8195792191091901
Energy: 1.0956317485085856
Energy: 0.8171546584788817
Energy: 1.0956317485085856
Energy: 1.2881880533552674
Energy: 1.076788713373
Energy: 0.8246852126221517
Energy: 1.0767887133723977
Energy: 1.2881880533546648
Energy: 1.0767887133723977
Energy: 0.8257241144170482
Energy: 1.0922767341439104
Energy: 0.8204373030786926
Energy: 1.092276734144513
Energy: 0.8257241144164456
Energy: 1.092276734144513
Energy: 1.2875932453103012
Energy: 1.0681299105697717
Energy: 0.982419416374154
Energy: 1.0681299105703743
Energy: 1.2875932453103012
Energy: 1.0681299105703743
Energy: 1.0373652685875219
Energy: 1.0956383946237442
Energy: 0.8351330205938461
Energy: 1.0956383946237442
Energy: 1.0373652685881245
Energy: 1.0956383946237442
Energy: 1.5746898489047727
Energy: 0.836641899451854
Energy: 0.8242618835456511
Energy: 0.8366418994500461
Energy: 1.574689848905978
Energy: 0.8366418994512514
Energy: 1.0599180161829005
Energy: 1.0921112328258193
Energy: 1.0122246463209537
Energy: 1.0921112328264218
Energy: 1.059918016184106
Energy: 1.0921112328264218
Energy: 1.2894369752021069
Energy: 1.0624126694156608
Energy: 0.9241675766594784
Energy: 1.0624126694168659
Energy: 1.2894369752021069
Energy: 1.0624126694162634
Energy: 1.0374570485130248
Energy: 1.0954446438583174
Energy: 1.0353188586870619
Energy: 1.09544464385892
Energy: 1.0374570485130248
Energy: 1.09544464385892
Energy: 1.2895258204171893
Energy: 0.8382272831170452
Energy: 0.823902903399312
Energy: 0.8382272831176478
Energy: 1.289525820417792
Energy: 0.8382272831170452
Energy: 0.8255414837295943
Energy: 1.078309729695438
Energy: 0.9238329568699561
Energy: 1.0783097296948354
Energy: 0.8255414837295943
Energy: 1.0783097296948354
Energy: 1.1596249494701283
Energy: 1.0553763420817817
Energy: 0.8224678853873186
Energy: 1.0553763420811793
Energy: 1.159624949470731
Energy: 1.0553763420817817
Energy: 0.8171229905828515
Energy: 1.059848256919102
Energy: 1.0096627837078296
Energy: 1.059848256920307
Energy: 0.8171229905828515
Energy: 1.0598482569209098
Energy: 1.00983040713189
Energy: 1.0598501738153154
Energy: 0.8171304681968746
Energy: 1.0598501738153154
Energy: 1.0098304071312871
Energy: 1.0598501738147126
Energy: 0.8223198183328493
Energy: 1.055375477569191
Energy: 1.1598762939224638
Energy: 1.0553754775685884
Energy: 0.8223198183340545
Energy: 1.0553754775685884
Energy: 0.9239775446953928
Energy: 1.078313432201134
Energy: 0.8256310259481916
Energy: 1.078313432201134
Energy: 0.9239775446953928
Energy: 1.078313432201134
Energy: 0.8239145990236096
Energy: 0.8380847466092137
Energy: 1.2871504067752664
Energy: 0.8380847466086112
Energy: 0.823914599023007
Energy: 0.8380847466092137
Energy: 1.0353188586876643
Energy: 1.0954074564573864
Energy: 1.037420773120666
Energy: 1.0954074564573864
Energy: 1.0353188586876643
Energy: 1.0954074564573864
Energy: 1.0336249055702198
Energy: 1.062381638816127
Energy: 1.2893590023898158
Energy: 1.0623816388155243
Energy: 1.0336249055708222
Energy: 1.0623816388155243
Energy: 1.0117421913948015
Energy: 1.0927777153556264
Energy: 1.0598527951524053
Energy: 1.0927777153562288
Energy: 1.0117421913954041
Energy: 1.0927777153562288
Energy: 0.8242705116929286
Energy: 0.8367740360004402
Energy: 1.5745729415874092
Energy: 0.8367740359992349
Energy: 0.8242705116929286
Energy: 0.8367740360022481
Energy: 0.8356517450430654
Energy: 1.0956262320449395
Energy: 1.0374531082326335
Energy: 1.0956262320443368
Energy: 0.8356517450436679
Energy: 1.0956262320443368
Energy: 1.0342094342052577
Energy: 1.06807964139901
Energy: 1.287741011964736
Energy: 1.0680796413996125
Energy: 1.034209434204655
Energy: 1.0680796413996125
Energy: 0.8202093049402126
Energy: 1.0910690560167766
Energy: 0.8257092769059535
Energy: 1.091069056016174
Energy: 0.82020930493961
Energy: 1.091069056016174
Energy: 0.8244219459546687
Energy: 1.0767887133723977
Energy: 1.2880176884625798
Energy: 1.076788713373
Energy: 0.8244219459546687
Energy: 1.076788713373
Energy: 0.8198988552199724
Energy: 1.0956300367895866
Energy: 0.8173123867938583
Energy: 1.0956300367901892
Energy: 0.819898855220575
Energy: 1.0956300367901892

minimum gb energy = 0.8168261402681563 eV
minimum distance =  2.25241120085842 Angstroms
sigma value = 67


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

Energy: 0.2503338202112217
Energy: 0.25103103224348094
Energy: 0.8394200028848569
Energy: 0.25103103224389284
Energy: 0.2503338202112217
Energy: 0.25103103224389284
Energy: 0.2541798184328366
Energy: 0.7586133211486004
Energy: 0.5800951748029899
Energy: 0.7586133211481885
Energy: 0.2541798184328366
Energy: 0.7586133211481885
Energy: 0.2503338202116337
Energy: 0.251031032244259
Energy: 0.8394200028848569
Energy: 0.25103103224389284
Energy: 0.2503338202116337
Energy: 0.251031032244259
Energy: 0.2541798184328366
Energy: 0.7586133211481885
Energy: 0.5800951748037908
Energy: 0.7586133211477766
Energy: 0.2541798184328366
Energy: 0.7586133211481885
Energy: 0.2503338202112217
Energy: 0.25103103224389284
Energy: 0.8394200028848569
Energy: 0.251031032244259
Energy: 0.2503338202112217
Energy: 0.25103103224389284
Energy: 0.2541798184328366
Energy: 0.7586133211486004
Energy: 0.5800951748037908
Energy: 0.7586133211481885
Energy: 0.2541798184328366
Energy: 0.7586133211481885
Energy: 0.2503338202116337
Energy: 0.251031032244259
Energy: 0.839420002884445
Energy: 0.251031032244259
Energy: 0.2503338202116337
Energy: 0.25103103224389284

minimum gb energy = 0.2503338202112217 eV
minimum distance =  2.4252881411452 Angstroms
sigma value = 3


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

Energy: 1.328517416364296
Energy: 1.0826196691903638
Energy: 1.0792522528595863
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Energy: 0.8041986624667565
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Energy: 1.2592840352668977
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Energy: 0.8086763138364119
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Energy: 1.2668726062546312
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Energy: 1.266872606254083
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Energy: 1.2825456201165746
Energy: 1.0604097920262878
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Energy: 0.8108692325347724
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Energy: 1.0229528831471542
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Energy: 1.2536283434620523
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Energy: 0.809514706345085
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Energy: 1.0324357474417092
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Energy: 1.002401084738205
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Energy: 0.8044420532484522
Energy: 0.9790210640296756
Energy: 1.2449833597517155
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Energy: 0.8044420532484522
Energy: 0.9790210640302237
Energy: 0.8046376645642568
Energy: 1.0355517566047947
Energy: 1.0194994762466172
Energy: 1.0355517566042465
Energy: 0.8046376645648049
Energy: 1.0355517566042465
Energy: 0.815039154204443
Energy: 0.9949859366221178
Energy: 1.2472319387570532
Energy: 0.9949859366215698
Energy: 0.8150391542049911
Energy: 0.9949859366210216
Energy: 0.8071486583158343
Energy: 1.0626751058637764
Energy: 1.2593180060474685
Energy: 1.0626751058637764
Energy: 0.8071486583152861
Energy: 1.0626751058637764
Energy: 0.8052339969595955
Energy: 0.8217967591611307
Energy: 1.388338712504679
Energy: 0.8217967591605826
Energy: 0.8052339969601436
Energy: 0.8217967591605826
Energy: 0.8144546034367594
Energy: 1.0809375598368698
Energy: 1.282279681166645
Energy: 1.0809375598357736
Energy: 0.8144546034373075
Energy: 1.0809375598352255
Energy: 0.8151355562105567
Energy: 0.8192309307183627
Energy: 1.3986152582328448
Energy: 0.8192309307173163
Energy: 0.8151355562116529
Energy: 0.8192309307173163
Energy: 0.8263588627903538
Energy: 1.0627834444849722
Energy: 1.2596740060774725
Energy: 1.0627834444849722
Energy: 0.8263588627909019
Energy: 1.0627834444849722
Energy: 0.8046815638199075
Energy: 0.8148298029010439
Energy: 1.3882933713779397
Energy: 0.8148298029010439
Energy: 0.8046815638188115
Energy: 0.814829802901592
Energy: 0.8142692476482737
Energy: 1.0356057010115511
Energy: 1.0169791310821614
Energy: 1.0356057010126474
Energy: 0.8142692476488218
Energy: 1.0356057010126474
Energy: 0.8185302587130205
Energy: 0.8111901762117905
Energy: 1.132145006401164
Energy: 0.8111901762117905
Energy: 0.8185302587135685
Energy: 0.8111901762117905
Energy: 1.0036282296167136
Energy: 1.0293109197961183
Energy: 1.0027585804580557
Energy: 1.0293109197972146
Energy: 1.0036282296161656
Energy: 1.0293109197977623

minimum gb energy = 0.8041986624667565 eV
minimum distance =  2.25217689360681 Angstroms
sigma value = 81


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

Energy: 1.3906636051026509
Energy: 1.239453848833708
Energy: 1.0412961603142554
Energy: 1.2394538488322036
Energy: 1.3906636051026509
Energy: 1.2394538488322036
Energy: 1.273954594056932
Energy: 0.9176974228995992
Energy: 0.8959266344661387
Energy: 0.917697422898847
Energy: 1.2739545940554275
Energy: 0.917697422898847
Energy: 1.3436772353766515
Energy: 1.2109636378305249
Energy: 1.1090050505907472
Energy: 1.2109636378290205
Energy: 1.343677235375899
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Energy: 1.2584933995629044
Energy: 0.8979340574359326
Energy: 0.9031089058296434
Energy: 0.8979340574366846
Energy: 1.2584933995629044
Energy: 0.8979340574366846
Energy: 1.032922140289982
Energy: 0.9024430895939222
Energy: 0.9648057077891811
Energy: 0.9024430895954266
Energy: 1.032922140289982
Energy: 0.9024430895954266
Energy: 1.126407087574285
Energy: 1.0458475541309713
Energy: 0.9787045143607781
Energy: 1.0458475541287147
Energy: 1.126407087574285
Energy: 1.0458475541287147
Energy: 1.0055833626543915
Energy: 0.8970798100908901
Energy: 1.1327332252494091
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Energy: 1.0055833626536392
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Energy: 0.8964915878871144
Energy: 0.9020757022812884
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Energy: 1.211037491120106
Energy: 0.9020757022820405
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Energy: 0.8924841737224379
Energy: 1.1194840462155062
Energy: 1.2581985466870966
Energy: 1.1194840462162583
Energy: 0.8924841737224379
Energy: 1.1194840462155062
Energy: 0.9655330829694323
Energy: 1.2018381368509259
Energy: 1.2832001485634446
Energy: 1.2018381368524305
Energy: 0.9655330829701846
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Energy: 0.9652951246882412
Energy: 1.118548670285559
Energy: 1.258389049374063
Energy: 1.118548670285559
Energy: 0.9652951246874889
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Energy: 0.9691855175151284
Energy: 1.2112619509451066
Energy: 0.9985562247815701
Energy: 1.2112619509443545
Energy: 0.9691855175143761
Energy: 1.2112619509436022
Energy: 0.968729927161627
Energy: 1.152571576385341
Energy: 1.1741579728721712
Energy: 1.152571576385341
Energy: 0.968729927161627
Energy: 1.152571576385341
Energy: 1.2584758594901375
Energy: 1.1892770083331756
Energy: 0.9787982566502937
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Energy: 1.2580185792197136
Energy: 1.2016038948486705
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Energy: 1.2016038948471663
Energy: 1.2834167489879327
Energy: 1.211600038397295
Energy: 0.9033260825546728
Energy: 1.2116000383965428
Energy: 1.2834167489886847
Energy: 1.211600038397295
Energy: 1.282914786553236
Energy: 1.2022516391372582
Energy: 1.1131867538636904
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Energy: 1.2829147865539883
Energy: 1.2022516391387625
Energy: 1.284771347066676
Energy: 1.1393899475558256
Energy: 0.8987781383964181
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Energy: 1.284771347066676
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Energy: 1.2824598563869338
Energy: 1.183465134659679
Energy: 0.8986028258901212
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Energy: 1.282459856387686
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Energy: 1.2834449907754
Energy: 1.2023637947748427
Energy: 1.126116963418678
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Energy: 1.2834449907754
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Energy: 1.2830898681012632
Energy: 1.2116583128256104
Energy: 0.9059193243419997
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Energy: 1.2830898681020155
Energy: 1.211658312826363
Energy: 1.2583710067918377
Energy: 1.2016919250102076
Energy: 0.9664895141712152
Energy: 1.20169192501096
Energy: 1.2583710067918377
Energy: 1.20169192501096
Energy: 1.2579060491921472
Energy: 1.189448874314632
Energy: 0.9701855486230309
Energy: 1.1894488743138798
Energy: 1.2579060491928993
Energy: 1.1894488743138798
Energy: 0.9686604426068408
Energy: 1.152326807637389
Energy: 1.2601973810437999
Energy: 1.1523268076381408
Energy: 0.9686604426060886
Energy: 1.1523268076381408
Energy: 0.9692833079242493
Energy: 1.2113858286976797
Energy: 1.0075094963154503
Energy: 1.2113858286999366
Energy: 0.9692833079242493
Energy: 1.2113858286999366
Energy: 0.9651499282771608
Energy: 1.118548670285559
Energy: 1.2023696885958706
Energy: 1.1185486702848066
Energy: 0.9651499282771608
Energy: 1.1185486702848066
Energy: 0.9655608721344758
Energy: 1.2017322787441946
Energy: 1.283223400355152
Energy: 1.2017322787426903
Energy: 0.9655608721344758
Energy: 1.201732278741938
Energy: 0.8926491730312274
Energy: 0.899920110347637
Energy: 1.2584748632104013
Energy: 0.899920110347637
Energy: 0.8926491730319795
Energy: 0.899920110347637
Energy: 0.9019884649550781
Energy: 1.210917093332582
Energy: 1.2333622026649766
Energy: 1.2109170933318296
Energy: 0.9019884649550781
Energy: 1.2109170933318296
Energy: 0.8979551946216884
Energy: 0.8951509630647185
Energy: 1.1881849652096064
Energy: 0.895150963066223
Energy: 0.8979551946209362
Energy: 0.895150963066223
Energy: 0.9892470992130042
Energy: 1.2021651265395614
Energy: 1.2832895150311037
Energy: 1.2021651265395614
Energy: 0.9892470992137565
Energy: 1.2021651265395614
Energy: 0.902479965138002
Energy: 0.8929648011841586
Energy: 1.2586660751204615
Energy: 0.8929648011849107
Energy: 0.902479965138002
Energy: 0.8929648011849107
Energy: 0.9744036082965005
Energy: 0.9021218929409176
Energy: 1.0072977249848554
Energy: 0.9021218929394131
Energy: 0.9744036082965005
Energy: 0.9021218929364043
Energy: 1.0055478615710245
Energy: 0.8969296762117259
Energy: 1.1170978164462102
Energy: 0.8969296762117259
Energy: 1.005547861570272
Energy: 0.8969296762109737

minimum gb energy = 0.8924841737224379 eV
minimum distance =  2.27341251357959 Angstroms
sigma value = 43


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

Energy: 1.5469134452065012
Energy: 1.3178909944379835
Energy: 1.298327381691439
Energy: 1.3178909944379835
Energy: 1.5469134452065012
Energy: 1.3178909944379835
Energy: 1.2406652701542817
Energy: 0.9911188834346248
Energy: 0.9550611037586259
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Energy: 1.240665270155206
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Energy: 1.1200243089838704
Energy: 0.967794845467283
Energy: 1.2003097164700938
Energy: 0.9677948454663591
Energy: 1.1200243089838704
Energy: 0.9677948454663591
Energy: 1.221874825433645
Energy: 0.9561579991526322
Energy: 0.9711392614258129
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Energy: 1.221874825433645
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Energy: 1.0933878002098907
Energy: 0.9552177543774485
Energy: 1.0564524396655834
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Energy: 0.9552177543774485
Energy: 1.04544701193392
Energy: 1.268475568293706
Energy: 1.0557724546961138
Energy: 1.268475568293706
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Energy: 0.9535170700925025
Energy: 1.0665423056591892
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Energy: 0.9686211163953026
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Energy: 0.9685828518302821
Energy: 1.1174198101007786
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Energy: 1.0734096086025975
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Energy: 0.9561565383652629
Energy: 0.953975945962313
Energy: 1.3073744597391963
Energy: 0.9539759459632369
Energy: 0.956156538364339
Energy: 0.953975945962313
Energy: 0.9633510195183509
Energy: 1.299299563115364
Energy: 1.3502547182285989
Energy: 1.299299563115364
Energy: 0.9633510195183509
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Energy: 0.9538588444979631
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Energy: 1.065907442430428
Energy: 1.228636146942645
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Energy: 1.0452162394059148
Energy: 0.9702471066068507
Energy: 1.1173918372915095
Energy: 0.9702471066059267
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Energy: 0.9702471066050027
Energy: 1.045713010866619
Energy: 0.9558803185138668
Energy: 1.2334158318900286
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Energy: 0.9558803185138668
Energy: 1.0560176504458196
Energy: 1.2991630265114242
Energy: 1.0554876227240428
Energy: 1.2991630265114242
Energy: 1.0560176504458196
Energy: 1.2991630265114242
Energy: 1.0561510482666674
Energy: 1.2682542842339346
Energy: 1.047796381248312
Energy: 1.2682542842348585
Energy: 1.0561510482666674
Energy: 1.2682542842348585
Energy: 1.2400448030444255
Energy: 0.9560460961118369
Energy: 0.9714265098278262
Energy: 0.9560460961118369
Energy: 1.2400448030435016
Energy: 0.9560460961118369
Energy: 1.24015654146003
Energy: 1.275268854239514
Energy: 1.2385856911569162
Energy: 1.275268854240438
Energy: 1.24015654146003
Energy: 1.275268854240438
Energy: 1.2977950272935506
Energy: 1.2564392653217091
Energy: 0.9573406224290519
Energy: 1.2564392653217091
Energy: 1.2977950272926266
Energy: 1.2564392653217091
Energy: 1.2976688337629585
Energy: 1.303399992082864
Energy: 0.9574152751798795
Energy: 1.303399992083788
Energy: 1.2976688337629585
Energy: 1.303399992083788
Energy: 1.2401385064835653
Energy: 1.2305325711445507
Energy: 0.9549611643467425
Energy: 1.2305325711436268
Energy: 1.2401385064835653
Energy: 1.2305325711445507
Energy: 1.2400758326856318
Energy: 1.343540301014635
Energy: 0.9715539337000074
Energy: 1.343540301014635
Energy: 1.2400758326856318
Energy: 1.343540301014635
Energy: 1.055945127728058
Energy: 1.2684919945201734
Energy: 1.0462093992568349
Energy: 1.2684919945201734
Energy: 1.055945127728058
Energy: 1.2684919945201734
Energy: 1.0564015963749942
Energy: 1.2975942340569424
Energy: 1.0563157715661793
Energy: 1.2975942340569424
Energy: 1.0564015963749942
Energy: 1.2975942340569424
Energy: 1.0450202123359975
Energy: 1.3016572206096428
Energy: 1.0567136284174332
Energy: 1.3016572206096428
Energy: 1.0450202123359975
Energy: 1.3016572206096428
Energy: 1.0461065326429824
Energy: 1.343241910538936
Energy: 1.1180342000356862
Energy: 1.343241910538936
Energy: 1.0461065326429824
Energy: 1.343241910538936
Energy: 0.9543016763963701
Energy: 0.9579482967985207
Energy: 1.24014160068642
Energy: 0.9579482967975969
Energy: 0.9543016763963701
Energy: 0.9579482967975969
Energy: 0.960608386571859
Energy: 1.2974917908075816
Energy: 1.3493866954628422
Energy: 1.2974917908085057
Energy: 0.9606083865709351
Energy: 1.2974917908085057
Energy: 0.9564910979389762
Energy: 1.281559525007298
Energy: 1.1780225987430837
Energy: 1.2815595250082221
Energy: 0.9564910979389762
Energy: 1.2815595250082221
Energy: 1.0804663178155305
Energy: 1.2746475927249796
Energy: 1.1179785853434645
Energy: 1.2746475927249796
Energy: 1.0804663178155305
Energy: 1.2746475927249796
Energy: 0.9689294683423016
Energy: 0.9537464710582698
Energy: 1.2404967818786226
Energy: 0.9537464710573458
Energy: 0.9689294683423016
Energy: 0.9537464710573458
Energy: 1.0453706754086505
Energy: 1.267907824659695
Energy: 1.0562144216981852
Energy: 1.2679078246587714
Energy: 1.0453706754095742
Energy: 1.2679078246587714

minimum gb energy = 0.9535170700925025 eV
minimum distance =  2.22287961954278 Angstroms
sigma value = 57


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

Energy: 1.1178785042315746
Energy: 1.4167678835461441
Energy: 1.2639365021039881
Energy: 1.4167678835461441
Energy: 1.1178785042315746
Energy: 1.4167678835461441
Energy: 1.0426186952218035
Energy: 1.1028726620358367
Energy: 1.0362374141462312
Energy: 1.1028726620358367
Energy: 1.0426186952218035
Energy: 1.1028726620358367
Energy: 1.040873521408041
Energy: 1.4149162101974004
Energy: 1.200824198654171
Energy: 1.4149162101985968
Energy: 1.040873521408041
Energy: 1.4149162101985968
Energy: 1.040439628395802
Energy: 1.0294367369967925
Energy: 1.0359430382196304
Energy: 1.0294367369967925
Energy: 1.040439628395802
Energy: 1.0294367369967925
Energy: 1.033053672107309
Energy: 1.0430944606451176
Energy: 1.1757012922500603
Energy: 1.0430944606451176
Energy: 1.033053672107309
Energy: 1.0430944606451176
Energy: 1.0384337862843287
Energy: 1.4035495574443133
Energy: 1.0375445400084724
Energy: 1.4035495574443133
Energy: 1.0384337862843287
Energy: 1.4035495574443133
Energy: 1.028284555168226
Energy: 1.2345966582745584
Energy: 1.0350903867043755
Energy: 1.2345966582745584
Energy: 1.028284555168226
Energy: 1.2345966582745584
Energy: 1.0373190499161988
Energy: 1.404663572298788
Energy: 1.1163212622653118
Energy: 1.404663572298788
Energy: 1.0373190499150025
Energy: 1.404663572298788
Energy: 1.0334789193055114
Energy: 1.1016116984009485
Energy: 1.1763295033309276
Energy: 1.1016116984009485
Energy: 1.0334789193055114
Energy: 1.1016116984009485
Energy: 1.0297602061507882
Energy: 1.4053671357029933
Energy: 1.0379716628970421
Energy: 1.4053671357017967
Energy: 1.0297602061507882
Energy: 1.4053671357029933
Energy: 1.0281231408327665
Energy: 1.0286531217085393
Energy: 1.0364050280119395
Energy: 1.0286531217085393
Energy: 1.0281231408327665
Energy: 1.0286531217085393
Energy: 1.0363821591676068
Energy: 1.234954190459547
Energy: 1.0363701518836843
Energy: 1.234954190459547
Energy: 1.0363821591676068
Energy: 1.234954190459547
Energy: 1.033818098250077
Energy: 1.4024544776217296
Energy: 1.0908303415288192
Energy: 1.402454477622926
Energy: 1.033818098250077
Energy: 1.4024544776217296
Energy: 1.0347586280962817
Energy: 1.4175501086887072
Energy: 1.031910641771185
Energy: 1.4175501086887072
Energy: 1.0347586280926926
Energy: 1.4175501086887072
Energy: 1.045264045537929
Energy: 1.4039360294579102
Energy: 1.0405690900323523
Energy: 1.4039360294579102
Energy: 1.0452640455355362
Energy: 1.4039360294579102
Energy: 1.035937579479476
Energy: 1.4260627481450587
Energy: 1.0367061249508651
Energy: 1.426062748146255
Energy: 1.035937579479476
Energy: 1.426062748146255
Energy: 1.0343415466322545
Energy: 1.2350963393698138
Energy: 1.028291906594793
Energy: 1.2350963393698138
Energy: 1.0343415466322545
Energy: 1.2350963393698138
Energy: 1.0297351472058272
Energy: 1.0590742596703921
Energy: 1.0297233947495257
Energy: 1.0590742596703921
Energy: 1.029735147204631
Energy: 1.0590742596703921
Energy: 1.0284503784006294
Energy: 1.23518360070104
Energy: 1.0343520012661662
Energy: 1.23518360070104
Energy: 1.0284503784006294
Energy: 1.23518360070104
Energy: 1.03674337161348
Energy: 1.426082593856148
Energy: 1.0359256716572458
Energy: 1.426082593854952
Energy: 1.0367433716146761
Energy: 1.426082593854952
Energy: 1.040525119725511
Energy: 1.4039283610465512
Energy: 1.038957133344201
Energy: 1.4039283610453546
Energy: 1.040525119725511
Energy: 1.4039283610465512
Energy: 1.0318788909129164
Energy: 1.2320948706657213
Energy: 1.0341945860084474
Energy: 1.2320948706657213
Energy: 1.0318788909129164
Energy: 1.2320948706657213
Energy: 1.1128480347429586
Energy: 1.4024514741726342
Energy: 1.0338511256919125
Energy: 1.4024514741726342
Energy: 1.1128480347429586
Energy: 1.4024514741726342
Energy: 1.0362902799293536
Energy: 1.2348895377926725
Energy: 1.0363864995206176
Energy: 1.2348895377926725
Energy: 1.0362902799281573
Energy: 1.2348895377926725

minimum gb energy = 1.0281231408327665 eV
minimum distance =  2.21827310682992 Angstroms
sigma value = 17


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

Energy: 1.1237706079247294
Energy: 1.122017371945584
Energy: 1.4526962337825333
Energy: 1.122017371945584
Energy: 1.1237706079264214
Energy: 1.122017371945584
Energy: 1.1119496901244774
Energy: 1.1047286688800506
Energy: 1.1052627453019648
Energy: 1.1047286688783586
Energy: 1.1119496901244774
Energy: 1.1047286688800506
Energy: 1.1046301523249613
Energy: 1.1047916594253848
Energy: 1.1120995557864588
Energy: 1.1047916594253848
Energy: 1.1046301523249613
Energy: 1.1047916594253848
Energy: 1.113084417452184
Energy: 1.1040912149696769
Energy: 1.103924963118491
Energy: 1.1040912149696769
Energy: 1.113084417452184
Energy: 1.1040912149696769
Energy: 1.1040150357596965
Energy: 1.1042758730113864
Energy: 1.3745961665910136
Energy: 1.1042758730113864
Energy: 1.1040150357596965
Energy: 1.1042758730113864
Energy: 1.1051280711526932
Energy: 1.1224934947044893
Energy: 1.1244874372953058
Energy: 1.1224934947027974
Energy: 1.1051280711526932
Energy: 1.1224934947044893
Energy: 1.108196530830723
Energy: 1.2581607980863136
Energy: 1.1153711081492725
Energy: 1.2581607980863136
Energy: 1.108196530830723
Energy: 1.2581607980863136
Energy: 1.1048048056104058
Energy: 1.4053177217721344
Energy: 1.1040189244025496
Energy: 1.4053177217721344
Energy: 1.1048048056104058
Energy: 1.4053177217721344
Energy: 1.1039743581445283
Energy: 1.1039671817255352
Energy: 1.2253407684748543
Energy: 1.1039671817238432
Energy: 1.1039743581445283
Energy: 1.1039671817238432
Energy: 1.1225610761733378
Energy: 1.0935740550078765
Energy: 1.1055270034964322
Energy: 1.0935740550061848
Energy: 1.1225610761733378
Energy: 1.0935740550061848
Energy: 1.1271370389703235
Energy: 1.106767475622167
Energy: 1.1123599858113595
Energy: 1.106767475622167
Energy: 1.1271370389703235
Energy: 1.106767475622167
Energy: 1.103928032435636
Energy: 1.1064602139703787
Energy: 1.110461098798581
Energy: 1.1064602139703787
Energy: 1.103928032435636
Energy: 1.1064602139703787
Energy: 1.104185643646003
Energy: 1.2579279250973596
Energy: 1.1042558147214963
Energy: 1.2579279250973596
Energy: 1.104185643646003
Energy: 1.2579279250973596
Energy: 1.1057615402437264
Energy: 1.105197896196811
Energy: 1.1066208476203385
Energy: 1.105197896196811
Energy: 1.1057615402437264
Energy: 1.105197896196811
Energy: 1.1085512620204394
Energy: 1.214614931162787
Energy: 1.1228019640780147
Energy: 1.214614931162787
Energy: 1.1085512620204394
Energy: 1.214614931162787
Energy: 1.1097590806800004
Energy: 1.1058410656585285
Energy: 1.1236337224248352
Energy: 1.1058410656585285
Energy: 1.1097590806800004
Energy: 1.1058410656601818
Energy: 1.1047918027033434
Energy: 1.106527261100059
Energy: 1.1041822011277274
Energy: 1.106527261100059
Energy: 1.1047918027033434
Energy: 1.106527261100059

minimum gb energy = 1.0935740550061848 eV
minimum distance =  2.25281533367536 Angstroms
sigma value = 17


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

Energy: 1.584977487232184
Energy: 1.6281801503126156
Energy: 1.601232504444091
Energy: 1.6281801503126156
Energy: 1.5849774872315308
Energy: 1.628180150313269
Energy: 1.3729108980473284
Energy: 1.1073027145672354
Energy: 1.098671306250173
Energy: 1.1073027145678889
Energy: 1.3729108980473284
Energy: 1.1073027145678889
Energy: 1.1070270543911678
Energy: 1.1900907093706519
Energy: 1.095100767602692
Energy: 1.1900907093706519
Energy: 1.1070270543911678
Energy: 1.1900907093706519
Energy: 1.1065909250921446
Energy: 1.0953908048615384
Energy: 1.2030089629031546
Energy: 1.0953908048621919
Energy: 1.1065909250921446
Energy: 1.0953908048615384
Energy: 1.098571402133357
Energy: 1.1390709257429106
Energy: 1.402067339266058
Energy: 1.1390709257429106
Energy: 1.098571402133357
Energy: 1.1390709257429106
Energy: 1.1973620479710345
Energy: 1.1055289014046392
Energy: 1.2331765234401448
Energy: 1.1055289014052925
Energy: 1.1973620479710345
Energy: 1.1055289014052925
Energy: 1.0993484482088098
Energy: 1.2061077166192409
Energy: 1.3720410523699136
Energy: 1.2061077166192409
Energy: 1.0993484482094633
Energy: 1.2061077166192409
Energy: 1.3518737341507765
Energy: 1.0965280741858163
Energy: 1.0972892689959308
Energy: 1.0965280741858163
Energy: 1.3518737341507765
Energy: 1.0965280741858163
Energy: 1.23569423627262
Energy: 1.1053603653453068
Energy: 1.1126138016693878
Energy: 1.1053603653453068
Energy: 1.23569423627262
Energy: 1.1053603653446535
Energy: 1.3451967293642428
Energy: 1.1378749420759602
Energy: 1.1001294118819125
Energy: 1.1378749420753067
Energy: 1.3451967293655496
Energy: 1.1378749420753067
Energy: 1.2051699633928479
Energy: 1.3457744355514265
Energy: 1.1954404037834092
Energy: 1.3457744355507733
Energy: 1.2051699633921946
Energy: 1.3457744355507733
Energy: 1.1057780465369211
Energy: 1.1064177736101
Energy: 1.1144732974286986
Energy: 1.1064177736101
Energy: 1.1057780465382279
Energy: 1.1064177736101
Energy: 1.1014276442785862
Energy: 1.0986014671825912
Energy: 1.3829848360986041
Energy: 1.0986014671819377
Energy: 1.1014276442785862
Energy: 1.0986014671819377
Energy: 1.1091914667489524
Energy: 1.3797868519889058
Energy: 1.5695955989390882
Energy: 1.379786851989559
Energy: 1.1091914667489524
Energy: 1.379786851989559
Energy: 1.1126504837369515
Energy: 1.109710875616334
Energy: 1.1941252165091956
Energy: 1.109710875614374
Energy: 1.1126504837369515
Energy: 1.1097108756150273
Energy: 1.2030246052475284
Energy: 1.3355244860937934
Energy: 1.115007405270488
Energy: 1.3355244860931401
Energy: 1.2030246052475284
Energy: 1.3355244860931401
Energy: 1.2024415750366149
Energy: 1.0950241571538535
Energy: 1.115143901384856
Energy: 1.0950241571538535
Energy: 1.2024415750372386
Energy: 1.095024157154507
Energy: 1.5480924740422004
Energy: 1.3829137570068302
Energy: 1.1152436248423578
Energy: 1.3829137570074834
Energy: 1.5480924740422004
Energy: 1.3829137570074834
Energy: 1.471024301948966
Energy: 1.3450819808062826
Energy: 1.1038949871229238
Energy: 1.3450819808062826
Energy: 1.471024301948966
Energy: 1.3450819808062826
Energy: 1.0992019420329557
Energy: 1.3997261333619548
Energy: 1.0991639817338186
Energy: 1.399726133362608
Energy: 1.0992019420323025
Energy: 1.399726133362608
Energy: 1.1038659024311515
Energy: 1.34508964932808
Energy: 1.547102644718097
Energy: 1.34508964932808
Energy: 1.1038659024304982
Energy: 1.3450896493287332
Energy: 1.1152392526090602
Energy: 1.3829134861918866
Energy: 1.5481541219447654
Energy: 1.3829134861918866
Energy: 1.1152392526090602
Energy: 1.3829134861918866
Energy: 1.1143538887715732
Energy: 1.0947651162669902
Energy: 1.202622275225641
Energy: 1.094765116266337
Energy: 1.11435388877092
Energy: 1.0947651162650303
Energy: 1.1150146256374982
Energy: 1.1888458701294207
Energy: 1.2029734654245405
Energy: 1.1888458701294207
Energy: 1.1150146256374982
Energy: 1.1888458701294207
Energy: 1.1941520331294533
Energy: 1.1101056741901942
Energy: 1.1137714688130647
Energy: 1.110105674191501
Energy: 1.1941520331294533
Energy: 1.1101056741908477
Energy: 1.5696150331163374
Energy: 1.3798094391122115
Energy: 1.1091457176136605
Energy: 1.3798094391128648
Energy: 1.5696150331163374
Energy: 1.3798094391122115
Energy: 1.3834762210603258
Energy: 1.09869852411851
Energy: 1.1014368829913308
Energy: 1.0986985241178568
Energy: 1.3834762210596725
Energy: 1.09869852411851
Energy: 1.1144807490191584
Energy: 1.1064646579569781
Energy: 1.1058181467016621
Energy: 1.1064646579929123
Energy: 1.1144807490185051
Energy: 1.1064646580059494
Energy: 1.1981400555930615
Energy: 1.3457901408941118
Energy: 1.2051758789987426
Energy: 1.3457901408941118
Energy: 1.1981400555930615
Energy: 1.345790140894765
Energy: 1.100146460989493
Energy: 1.1658135096810809
Energy: 1.3451439162915784
Energy: 1.1658135096810809
Energy: 1.100146460989493
Energy: 1.1658135096823876
Energy: 1.1126183616012935
Energy: 1.1052393656186261
Energy: 1.235821296148576
Energy: 1.1052393656179729
Energy: 1.11261836160064
Energy: 1.1052393656179729
Energy: 1.0972944275002345
Energy: 1.0966190509321239
Energy: 1.3520299227403054
Energy: 1.0966190509327771
Energy: 1.0972944275002345
Energy: 1.0966190509334304
Energy: 1.3717423374304645
Energy: 1.2061129551633356
Energy: 1.0993557936385747
Energy: 1.2061129551633356
Energy: 1.3717423374304645
Energy: 1.2061129551633356
Energy: 1.2332077817833564
Energy: 1.1051772833316011
Energy: 1.1975198267200082
Energy: 1.1051772833322544
Energy: 1.2332077817833564
Energy: 1.1051772833335614
Energy: 1.3597780573715597
Energy: 1.1390709257435638
Energy: 1.09856879463819
Energy: 1.1390709257429106
Energy: 1.359778057372213
Energy: 1.1390709257429106
Energy: 1.2030163292071618
Energy: 1.0954279325625993
Energy: 1.1070182148761267
Energy: 1.0954279325632525
Energy: 1.203016329207815
Energy: 1.0954279325625993
Energy: 1.0951028480056826
Energy: 1.1901108818983261
Energy: 1.1070302792386462
Energy: 1.1901108818983261
Energy: 1.0951028480102558
Energy: 1.1901108818989794
Energy: 1.0986763930679162
Energy: 1.1073487943523428
Energy: 1.3708491029396939
Energy: 1.107348794352996
Energy: 1.098676393067263
Energy: 1.1073487943523428
Energy: 1.3661730978424231
Energy: 1.6281801503126156
Energy: 1.5849774872315308
Energy: 1.628180150313269
Energy: 1.3661730978424231
Energy: 1.628180150313269
Energy: 1.0986713062508262
Energy: 1.1073027145672354
Energy: 1.3729108980466749
Energy: 1.1073027145672354
Energy: 1.098671306250173
Energy: 1.1073027145672354
Energy: 1.0951007676046522
Energy: 1.1900907093713051
Energy: 1.1070270543911678
Energy: 1.1900907093713051
Energy: 1.095100767602692
Energy: 1.1900907093713051
Energy: 1.2030089629044611
Energy: 1.0953908048628451
Energy: 1.1065909250921446
Energy: 1.0953908048628451
Energy: 1.2030089629038079
Energy: 1.0953908048621919
Energy: 1.402067339266058
Energy: 1.1390709257429106
Energy: 1.0985714021327035
Energy: 1.1390709257435638
Energy: 1.4020673392654048
Energy: 1.1390709257429106

minimum gb energy = 1.0947651162650303 eV
minimum distance =  2.23445132425083 Angstroms
sigma value = 57


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

Energy: 1.439760855233852
Energy: 1.329194549803433
Energy: 1.634174748059961
Energy: 1.3291945498023692
Energy: 1.439760855232788
Energy: 1.3291945498023692
Energy: 1.2357193335539602
Energy: 1.1168919868321479
Energy: 1.1172686235950897
Energy: 1.1168919868321479
Energy: 1.2357193335528964
Energy: 1.1168919868321479
Energy: 1.123184338429058
Energy: 1.1844470316922189
Energy: 1.125006038248773
Energy: 1.1844470316922189
Energy: 1.123184338430122
Energy: 1.1844470316922189
Energy: 1.2309991021302007
Energy: 1.1947305233546703
Energy: 1.389318173059231
Energy: 1.1947305233546703
Energy: 1.2309991021291369
Energy: 1.1947305233546703
Energy: 1.0771969543917645
Energy: 1.1493492207591565
Energy: 1.2411862838173313
Energy: 1.149349220757029
Energy: 1.0771969543917645
Energy: 1.149349220757029
Energy: 1.2502951265673072
Energy: 1.194625569917124
Energy: 1.3893739336064208
Energy: 1.1946255699192518
Energy: 1.2502951265651796
Energy: 1.1946255699192518
Energy: 1.1252382162141712
Energy: 1.1913387533113242
Energy: 1.1195484804463995
Energy: 1.1913387533113242
Energy: 1.1252382162131076
Energy: 1.1913387533102606
Energy: 1.083619878070166
Energy: 1.1791060513394496
Energy: 1.1173548798687662
Energy: 1.1791060513383858
Energy: 1.0836198780712296
Energy: 1.1791060513383858
Energy: 1.258168384134575
Energy: 1.0764020929197162
Energy: 1.128143825779239
Energy: 1.0764020929186524
Energy: 1.258168384134575
Energy: 1.0764020929197162
Energy: 1.3209716367697852
Energy: 1.1169476518486343
Energy: 1.1185421239586877
Energy: 1.1169476518507617
Energy: 1.3209716367719129
Energy: 1.1169476518507617
Energy: 1.1255698587568903
Energy: 1.0757472830762966
Energy: 1.386517454571539
Energy: 1.0757472830752328
Energy: 1.1255698587579543
Energy: 1.0757472830741692
Energy: 1.1560353539745238
Energy: 1.1954773686806812
Energy: 1.3880719276436768
Energy: 1.1954773686796176
Energy: 1.1560353539745238
Energy: 1.1954773686785538
Energy: 1.0809306911113088
Energy: 1.1842837995801714
Energy: 1.3865117970236138
Energy: 1.1842837995801714
Energy: 1.0809306911113088
Energy: 1.1842837995833628
Energy: 1.2503874941811364
Energy: 1.2612504492786354
Energy: 1.3883514497790506
Energy: 1.2612504492775714
Energy: 1.2503874941822
Energy: 1.2612504492775714
Energy: 1.1325457686407945
Energy: 1.190399497939847
Energy: 1.1287635060144805
Energy: 1.1903994979366557
Energy: 1.1325457686397309
Energy: 1.1903994979366557
Energy: 1.333191212288892
Energy: 1.1474789234789715
Energy: 1.1204616673659369
Energy: 1.1474789234800353
Energy: 1.333191212288892
Energy: 1.1474789234789715
Energy: 1.436160256611307
Energy: 1.1929307583616804
Energy: 1.1250471662470158
Energy: 1.1929307583627442
Energy: 1.4361602566123708
Energy: 1.1929307583659357
Energy: 1.3933701876878157
Energy: 1.2576696505177998
Energy: 1.1253158430510408
Energy: 1.257669650516736
Energy: 1.3933701876878157
Energy: 1.257669650516736
Energy: 1.1271957471951575
Energy: 1.0762142313141982
Energy: 1.3946089543467457
Energy: 1.0762142313141982
Energy: 1.1271957471962213
Energy: 1.0762142313152618
Energy: 1.188928456499451
Energy: 1.1846496386171348
Energy: 1.3926448413358865
Energy: 1.1846496386181986
Energy: 1.1889284565015785
Energy: 1.1846496386171348
Energy: 1.0863401926034781
Energy: 1.1853289040974042
Energy: 1.3921234511795282
Energy: 1.1853289040952766
Energy: 1.0863401926034781
Energy: 1.1853289040952766
Energy: 1.126979826002405
Energy: 1.0798554606132031
Energy: 1.3907844849702133
Energy: 1.0798554606142672
Energy: 1.1269798260034207
Energy: 1.0798554606142672
Energy: 1.1282170469497192
Energy: 1.1850517022662093
Energy: 1.1261370333857443
Energy: 1.1850517022640819
Energy: 1.1282170469497192
Energy: 1.185051702263018
Energy: 1.2555672572874985
Energy: 1.5712317936464952
Energy: 1.1248953827937314
Energy: 1.5712317936443678
Energy: 1.2555672572874985
Energy: 1.5712317936443678
Energy: 1.255564906774075
Energy: 1.3762537237451895
Energy: 1.119984071682486
Energy: 1.3762537237462533
Energy: 1.255564906773011
Energy: 1.3762537237462533
Energy: 1.12757146550743
Energy: 1.1914368628324505
Energy: 1.1254206448970216
Energy: 1.1914368628324505
Energy: 1.127571465508494
Energy: 1.1914368628324505
Energy: 1.1282009660489234
Energy: 1.0779329319363182
Energy: 1.3901356602262378
Energy: 1.0779329319373823
Energy: 1.1282009660489234
Energy: 1.077932931938446

minimum gb energy = 1.0757472830741692 eV
minimum distance =  2.280950100499 Angstroms
sigma value = 43


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

Energy: 1.3139100576708937
Energy: 1.1450442136049181
Energy: 1.3197760262488922
Energy: 1.1450442136056935
Energy: 1.3139100576708937
Energy: 1.1450442136056935
Energy: 1.1672233109528327
Energy: 1.1313761686785604
Energy: 1.1209377643981162
Energy: 1.1313761686785604
Energy: 1.1672233109528327
Energy: 1.1313761686785604
Energy: 1.1202338179684033
Energy: 1.248410704803293
Energy: 1.1195565687051545
Energy: 1.248410704803293
Energy: 1.120233817967628
Energy: 1.248410704803293
Energy: 1.2920561912366955
Energy: 1.1201386766787682
Energy: 1.2578573814520289
Energy: 1.1201386766787682
Energy: 1.2920561912359205
Energy: 1.1201386766787682
Energy: 1.121400277675684
Energy: 1.1787321223176654
Energy: 1.2230459704332217
Energy: 1.1787321223176654
Energy: 1.121400277675684
Energy: 1.1787321223176654
Energy: 1.231138893374795
Energy: 1.2351308037565665
Energy: 1.1453580719356384
Energy: 1.2351308037573416
Energy: 1.231138893374795
Energy: 1.2351308037565665
Energy: 1.1469996492807981
Energy: 1.235530124313987
Energy: 1.131765678488451
Energy: 1.235530124313987
Energy: 1.1469996492807981
Energy: 1.235530124313987
Energy: 1.2481901220657259
Energy: 1.1788344317789468
Energy: 1.12113588010134
Energy: 1.1788344317789468
Energy: 1.248190122066501
Energy: 1.1788344317789468
Energy: 1.2591193311106956
Energy: 1.1201072790661615
Energy: 1.2527488968332745
Energy: 1.1201072790669369
Energy: 1.2591193311106956
Energy: 1.1201072790669369
Energy: 1.3494394634823945
Energy: 1.2496806853634235
Energy: 1.1249748480242043
Energy: 1.2496806853634235
Energy: 1.3494394634816194
Energy: 1.2496806853634235
Energy: 1.1227302201959486
Energy: 1.179446595058105
Energy: 1.4767861797989492
Energy: 1.179446595058105
Energy: 1.1227302201959486
Energy: 1.1794465950588802
Energy: 1.1319673817281866
Energy: 1.144666454371555
Energy: 1.3179190645404728
Energy: 1.144666454371555
Energy: 1.1319673817281866
Energy: 1.144666454371555
Energy: 1.1205951668222778
Energy: 1.1320532521637316
Energy: 1.2446166386827335
Energy: 1.1320532521637316
Energy: 1.1205951668215026
Energy: 1.1320532521637316
Energy: 1.2572707721197933
Energy: 1.119886632962661
Energy: 1.124861638773466
Energy: 1.119886632962661
Energy: 1.2572707721197933
Energy: 1.119886632962661
Energy: 1.256989353611745
Energy: 1.1208638794920665
Energy: 1.1339834271992857
Energy: 1.1208638794912913
Energy: 1.2569893536109698
Energy: 1.1208638794920665
Energy: 1.2361798013794798
Energy: 1.2456521076223588
Energy: 1.1192765156595976
Energy: 1.2456521076231337
Energy: 1.2361798013787046
Energy: 1.2456521076231337
Energy: 1.1444953998614276
Energy: 1.1445058586260834
Energy: 1.236418385803334
Energy: 1.1445058586260834
Energy: 1.1444953998614276
Energy: 1.1445058586253085
Energy: 1.1310100350317691
Energy: 1.23510884249255
Energy: 1.1442208842314607
Energy: 1.23510884249255
Energy: 1.1310100350325443
Energy: 1.23510884249255
Energy: 1.1307960199103813
Energy: 1.1327033932508792
Energy: 1.2571818030976307
Energy: 1.132703393250104
Energy: 1.1307960199103813
Energy: 1.132703393250104
Energy: 1.1199042625865214
Energy: 1.2582061053249218
Energy: 1.2571217059681616
Energy: 1.2582061053256965
Energy: 1.1199042625872966
Energy: 1.2582061053249218
Energy: 1.123179660125364
Energy: 1.2490725195129087
Energy: 1.1312003305090168
Energy: 1.2490725195136838
Energy: 1.123179660125364
Energy: 1.2490725195129087
Energy: 1.6321958537186425
Energy: 1.127855329398072
Energy: 1.1210578205150332
Energy: 1.1278553293988471
Energy: 1.6321958537186425
Energy: 1.1278553293988471
Energy: 1.7207218249567098
Energy: 1.120041313199659
Energy: 1.1312070920786175
Energy: 1.120041313199659
Energy: 1.7207218249567098
Energy: 1.120041313200434
Energy: 1.1201206012638236
Energy: 1.2471635358782012
Energy: 1.1312227625574651
Energy: 1.247163535877426
Energy: 1.1201206012638236
Energy: 1.2471635358782012
Energy: 1.1226857690369405
Energy: 1.2570247172249454
Energy: 1.2570218356953542
Energy: 1.2570247172257205
Energy: 1.1226857690377157
Energy: 1.2570247172249454
Energy: 1.1305926882450423
Energy: 1.2809829027390809
Energy: 1.257153761330293
Energy: 1.2809829027398558
Energy: 1.1305926882450423
Energy: 1.2809829027390809
Energy: 1.1313702968634634
Energy: 1.2457243394627584
Energy: 1.235372118060228
Energy: 1.2457243394635333
Energy: 1.1313702968626882
Energy: 1.2457243394635333
Energy: 1.235660124826123
Energy: 1.6152655424132587
Energy: 1.2356510442894657
Energy: 1.6152655424124835
Energy: 1.235660124825348
Energy: 1.6152655424132587
Energy: 1.2353522801829653
Energy: 1.2456015424104134
Energy: 1.1268134558939973
Energy: 1.2456015424104134
Energy: 1.2353522801829653
Energy: 1.2456015424104134
Energy: 1.2573710850420643
Energy: 1.2808828064190692
Energy: 1.1305832317382651
Energy: 1.2808828064198439
Energy: 1.2573710850420643
Energy: 1.2808828064190692
Energy: 1.25749180155812
Energy: 1.257187110097214
Energy: 1.1226232804209701
Energy: 1.257187110097214
Energy: 1.25749180155812
Energy: 1.257187110097214
Energy: 1.131228822650836
Energy: 1.2471383442794854
Energy: 1.1201311195127905
Energy: 1.2471383442802606
Energy: 1.131228822650836
Energy: 1.2471383442794854
Energy: 1.1311952891430876
Energy: 1.1203699723872973
Energy: 1.7208844540586976
Energy: 1.1203699723896225
Energy: 1.1311952891430876
Energy: 1.1203699723903977
Energy: 1.121064165778868
Energy: 1.1279234453824654
Energy: 1.6323502816274507
Energy: 1.1279234453816904
Energy: 1.121064165778868
Energy: 1.1279234453816904
Energy: 1.131192947211767
Energy: 1.2491689303683438
Energy: 1.1230487870805486
Energy: 1.2491689303675686
Energy: 1.1311929472109918
Energy: 1.2491689303683438
Energy: 1.2571835213799563
Energy: 1.257652309610748
Energy: 1.119919410167603
Energy: 1.257652309610748
Energy: 1.2571835213799563
Energy: 1.257652309611523

minimum gb energy = 1.1192765156595976 eV
minimum distance =  2.25878499506063 Angstroms
sigma value = 81


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

Energy: 1.1410001359653934
Energy: 1.1415938212978067
Energy: 1.9989971118373235
Energy: 1.1415938212980978
Energy: 1.1410001359653934
Energy: 1.1415938212980978
Energy: 1.1425533043697893
Energy: 1.1416033596373216
Energy: 1.1411080174697283
Energy: 1.1416033596373216
Energy: 1.1425533043697893
Energy: 1.1416033596370303
Energy: 1.141104111308289
Energy: 1.141577960090749
Energy: 1.1425789718930037
Energy: 1.1415779600910079
Energy: 1.141104111308289
Energy: 1.141577960090749
Energy: 1.9989971118370322
Energy: 1.1415938212978067
Energy: 1.1410001359656847
Energy: 1.1415938212980978
Energy: 1.9989971118370322
Energy: 1.1415938212980978
Energy: 1.1411080174697283
Energy: 1.1416033596370303
Energy: 1.142553304370048
Energy: 1.1416033596370303
Energy: 1.1411080174697283
Energy: 1.1416033596373216
Energy: 1.1425789718927124
Energy: 1.1415779600910079
Energy: 1.141104111308289
Energy: 1.141577960090749
Energy: 1.1425789718927124
Energy: 1.141577960090749
Energy: 1.1410001359653934
Energy: 1.1415938212980978
Energy: 1.9989971118370322
Energy: 1.1415938212978067
Energy: 1.1410001359653934
Energy: 1.1415938212978067
Energy: 1.1425533043697893
Energy: 1.1416033596373216
Energy: 1.1411080174697283
Energy: 1.1416033596373216
Energy: 1.1425533043697893
Energy: 1.1416033596373216
Energy: 1.14110411130858
Energy: 1.1415779600910079
Energy: 1.14095536872811
Energy: 1.1415779600910079
Energy: 1.141104111308289
Energy: 1.141577960090749
Energy: 1.9989971118370322
Energy: 1.1415938212980978
Energy: 1.1410001359656847
Energy: 1.1415938212978067
Energy: 1.998997111836773
Energy: 1.1415938212978067

minimum gb energy = 1.14095536872811 eV
minimum distance =  2.23019148194156 Angstroms
sigma value = 3


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

Energy: 1.5584374563429886
Energy: 1.5315769124189134
Energy: 1.6362418028349484
Energy: 1.5315769124180614
Energy: 1.5584374563429886
Energy: 1.5315769124189134
Energy: 1.121286585163184
Energy: 1.1344804190242814
Energy: 1.0950286026032392
Energy: 1.1344804190251334
Energy: 1.1212865851640363
Energy: 1.1344804190251334
Energy: 1.107438138853786
Energy: 1.1076866584742593
Energy: 1.3021064102876452
Energy: 1.1076866584742593
Energy: 1.107438138853786
Energy: 1.1076866584742593
Energy: 1.1074191291165871
Energy: 1.3205400930603755
Energy: 1.151742659887117
Energy: 1.3205400930586708
Energy: 1.1074191291165871
Energy: 1.3205400930586708
Energy: 1.1217040215864715
Energy: 1.1196461323214721
Energy: 1.093673893257255
Energy: 1.1196461323197677
Energy: 1.121704021587324
Energy: 1.1196461323197677
Energy: 1.3246062838506703
Energy: 1.168667942070215
Energy: 1.097155393089862
Energy: 1.168667942070215
Energy: 1.3246062838506703
Energy: 1.168667942070215
Energy: 1.1218900435345425
Energy: 1.119777776091113
Energy: 1.1369092038889508
Energy: 1.11977777609367
Energy: 1.1218900435353951
Energy: 1.11977777609367
Energy: 1.119386905571418
Energy: 1.3084566061216283
Energy: 1.1559681678347604
Energy: 1.3084566061216283
Energy: 1.119386905571418
Energy: 1.308456606122481
Energy: 1.1080359778389237
Energy: 1.1069637465379158
Energy: 1.5077329552423167
Energy: 1.106963746538768
Energy: 1.108035977838071
Energy: 1.106963746538768
Energy: 1.1077553098675976
Energy: 1.1352453592603176
Energy: 1.094572972585748
Energy: 1.1352453592603176
Energy: 1.1077553098675976
Energy: 1.1352453592603176
Energy: 1.543642225726979
Energy: 1.202796470205001
Energy: 1.1414400336981774
Energy: 1.2027964702058531
Energy: 1.543642225726979
Energy: 1.2027964702058531
Energy: 1.5158430703570884
Energy: 1.2085852948198053
Energy: 1.0944398693620823
Energy: 1.2085852948198053
Energy: 1.5158430703579406
Energy: 1.2085852948198053
Energy: 1.1083325417037413
Energy: 1.1987572351248035
Energy: 1.0945341590062871
Energy: 1.198757235126508
Energy: 1.1083325417037413
Energy: 1.198757235126508
Energy: 1.1073234552983962
Energy: 1.2166291169723111
Energy: 1.1508308743153242
Energy: 1.2166291169723111
Energy: 1.1073234552992481
Energy: 1.2166291169723111
Energy: 1.1194631443532603
Energy: 1.2087623645053862
Energy: 1.1507571745751546
Energy: 1.2087623645053862
Energy: 1.1194631443532603
Energy: 1.208762364504534
Energy: 1.1200500421729775
Energy: 1.1355202394619917
Energy: 1.0953083941600181
Energy: 1.1355202394628439
Energy: 1.1200500421729775
Energy: 1.1355202394619917
Energy: 1.1195816228189603
Energy: 1.1355752087699473
Energy: 1.0954456685850633
Energy: 1.1355752087707995
Energy: 1.1195816228189603
Energy: 1.1355752087699473
Energy: 1.1195129191047593
Energy: 1.2435755059801314
Energy: 1.150881084870162
Energy: 1.2435755059801314
Energy: 1.1195129191047593
Energy: 1.2435755059801314
Energy: 1.1070903563417187
Energy: 1.216952335615492
Energy: 1.1509014650698983
Energy: 1.2169523356163057
Energy: 1.1070903563417187
Energy: 1.2169523356163057
Energy: 1.1082854630545105
Energy: 1.1365912650873173
Energy: 1.0946602576295965
Energy: 1.136591265089022
Energy: 1.1082854630545105
Energy: 1.136591265089022
Energy: 1.5135482505238744
Energy: 1.207617036072916
Energy: 1.0944610470052696
Energy: 1.2076170360721024
Energy: 1.5135482505238744
Energy: 1.2076170360721024
Energy: 1.542422064732197
Energy: 1.2022869990816683
Energy: 1.1346744192152969
Energy: 1.2022869990833729
Energy: 1.5424220647313447
Energy: 1.2022869990833729
Energy: 1.1082587614012038
Energy: 1.1355353766364982
Energy: 1.094573741543181
Energy: 1.1355353766356457
Energy: 1.1082587614012038
Energy: 1.1355353766356457
Energy: 1.10798083855886
Energy: 1.107255316218478
Energy: 1.50777693395693
Energy: 1.1072553162193302
Energy: 1.1079808385580079
Energy: 1.107255316218478
Energy: 1.120232681175863
Energy: 1.2380396308326216
Energy: 1.1505285402085996
Energy: 1.2380396308343262
Energy: 1.120232681175863
Energy: 1.2380396308343262
Energy: 1.1244004649864607
Energy: 1.2252338823521018
Energy: 1.1685340733518907
Energy: 1.2252338823512494
Energy: 1.1244004649864607
Energy: 1.2252338823512494
Energy: 1.1197718204755958
Energy: 1.1346256448035297
Energy: 1.0970426576178403
Energy: 1.1346256448035297
Energy: 1.1197718204747436
Energy: 1.1346256448035297
Energy: 1.124283829079917
Energy: 1.2036346348033002
Energy: 1.2999367751825224
Energy: 1.2036346348033002
Energy: 1.124283829079917
Energy: 1.2036346348033002
Energy: 1.2019730914185913
Energy: 1.316762359522765
Energy: 1.1535326284254879
Energy: 1.316762359522765
Energy: 1.2019730914185913
Energy: 1.316762359522765
Energy: 1.108210089251033
Energy: 1.1075379769443983
Energy: 1.3021569556159343
Energy: 1.1075379769426938
Energy: 1.108210089251033
Energy: 1.1075379769426938
Energy: 1.1808144604761512
Energy: 1.1348239062598688
Energy: 1.097085933129582
Energy: 1.1348239062598688
Energy: 1.1808144604770037
Energy: 1.1348239062598688
Energy: 1.5421284301654576
Energy: 1.328427922147495
Energy: 1.1372828875961793
Energy: 1.328427922146643
Energy: 1.5421284301663096
Energy: 1.328427922146643
Energy: 1.1205307052528437
Energy: 1.134343782388207
Energy: 1.0943344518260822
Energy: 1.1343437823873548
Energy: 1.1205307052545483
Energy: 1.1343437823873548

minimum gb energy = 1.093673893257255 eV
minimum distance =  2.21887281653565 Angstroms
sigma value = 67


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

Energy: 1.2855481583675485
Energy: 1.1353598933125328
Energy: 1.5835121689751959
Energy: 1.1353598933125328
Energy: 1.2855481583675485
Energy: 1.1353598933088895
Energy: 1.319461257985422
Energy: 1.2024687585600238
Energy: 1.0762809278995564
Energy: 1.2024687585600238
Energy: 1.3194612579866363
Energy: 1.2024687585600238
Energy: 1.064858551856724
Energy: 1.122807897153888
Energy: 1.3246106982632915
Energy: 1.1228078971551023
Energy: 1.0648585518579383
Energy: 1.1228078971551023
Energy: 1.20810356702117
Energy: 1.4185272318935325
Energy: 1.2126379815090014
Energy: 1.4185272318923183
Energy: 1.2081035669968831
Energy: 1.4185272318923183
Energy: 1.2125197016605382
Energy: 1.4177559965374762
Energy: 1.1029307546236915
Energy: 1.4177559965374762
Energy: 1.2125197016605382
Energy: 1.4177559965374762
Energy: 1.2059361877290984
Energy: 1.0635193618057275
Energy: 1.0610224174256793
Energy: 1.0635193618045131
Energy: 1.2059361877278842
Energy: 1.0635193618045131
Energy: 1.2061464476175163
Energy: 1.0638007200239175
Energy: 1.068010330805923
Energy: 1.0638007200239175
Energy: 1.2061464476187307
Energy: 1.0638007200239175
Energy: 1.2027742591986048
Energy: 1.3791184014869735
Energy: 1.5911089984797355
Energy: 1.3791184014845448
Energy: 1.2027742591986048
Energy: 1.3791184014857591
Energy: 1.2092368920084302
Energy: 1.0648607816489406
Energy: 1.5850930419521698
Energy: 1.0648607816477265
Energy: 1.2092368920084302
Energy: 1.0648607816489406
Energy: 1.2066162677596681
Energy: 1.064946805716748
Energy: 1.0681110235032198
Energy: 1.064946805716748
Energy: 1.2066162677596681
Energy: 1.064946805716748
Energy: 1.216891130402077
Energy: 1.0639123975977505
Energy: 1.0640887453128087
Energy: 1.063912397598965
Energy: 1.216891130402077
Energy: 1.063912397598965
Energy: 1.2119157125944913
Energy: 1.1311568938677372
Energy: 1.2120362737437713
Energy: 1.1311568938665229
Energy: 1.2119157125944913
Energy: 1.1311568938677372
Energy: 1.0637082906622983
Energy: 1.0651544006806748
Energy: 1.2171095521553168
Energy: 1.065154400681889
Energy: 1.0637082906622983
Energy: 1.065154400681889
Energy: 1.069626698561679
Energy: 1.0662967040202178
Energy: 1.2144410511158992
Energy: 1.0662967040202178
Energy: 1.069626698562893
Energy: 1.066296704021432
Energy: 1.350559373638082
Energy: 1.2559028124657967
Energy: 1.209784425855448
Energy: 1.2559028124657967
Energy: 1.350559373638082
Energy: 1.2559028124657967
Energy: 1.5469677496497654
Energy: 1.2834308255496654
Energy: 1.2013151043833756
Energy: 1.2834308255508797
Energy: 1.5469677496497654
Energy: 1.2834308255496654
Energy: 1.0701899841177045
Energy: 1.0640326338066879
Energy: 1.0610195850255018
Energy: 1.0640326338066879
Energy: 1.0701899841177045
Energy: 1.0640326338079025
Energy: 1.0633193435361767
Energy: 1.063904414552985
Energy: 1.2059244463508618
Energy: 1.0639044145517706
Energy: 1.0633193435361767
Energy: 1.0639044145517706
Energy: 1.1014402950051518
Energy: 1.132758075870568
Energy: 1.212141616576804
Energy: 1.1327580758717823
Energy: 1.1014402950051518
Energy: 1.1327580758717823
Energy: 1.2132785076056496
Energy: 1.0657398768349176
Energy: 1.2088889465074673
Energy: 1.065739876836132
Energy: 1.2132785076044352
Energy: 1.0657398768349176
Energy: 1.4658982719495157
Energy: 1.0933124994353125
Energy: 1.0524356330265632
Energy: 1.0933124994328838
Energy: 1.4658982719495157
Energy: 1.0933124994328838
Energy: 1.0781225427473022
Energy: 1.2024442081878668
Energy: 1.198478608891526
Energy: 1.2024442081878668
Energy: 1.0781225427473022
Energy: 1.2024442081878668
Energy: 1.328821458985642
Energy: 1.3638143760037857
Energy: 1.118497683753657
Energy: 1.3638143760037857
Energy: 1.328821458985642
Energy: 1.3638143760037857

minimum gb energy = 1.0524356330265632 eV
minimum distance =  2.20073680548196 Angstroms
sigma value = 33


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

Energy: 1.382954946480408
Energy: 1.0345293169250456
Energy: 1.5847341702889952
Energy: 1.0345293169250456
Energy: 1.382954946480408
Energy: 1.0345293169250456
Energy: 1.4948372909425094
Energy: 1.3652207823158145
Energy: 0.9914268125494157
Energy: 1.3652207823165852
Energy: 1.4948372909425094
Energy: 1.3652207823165852
Energy: 0.9962025112042616
Energy: 1.058697578314922
Energy: 1.460711565103252
Energy: 1.0586975783141517
Energy: 0.9962025112034913
Energy: 1.0586975783141517
Energy: 1.0613851039122424
Energy: 0.9942653991525602
Energy: 1.0095050141009592
Energy: 0.9942653991525602
Energy: 1.0613851039130129
Energy: 0.9942653991525602
Energy: 1.3257511400840745
Energy: 1.3202797907896486
Energy: 1.3093098203990143
Energy: 1.3202797907888784
Energy: 1.3257511400833042
Energy: 1.3202797907881079
Energy: 1.322772495227598
Energy: 1.0088730477142505
Energy: 0.9997249487385719
Energy: 1.0088730477142505
Energy: 1.322772495226828
Energy: 1.0088730477142505
Energy: 0.9962464156520813
Energy: 1.0073840413625945
Energy: 1.0157733399635207
Energy: 1.0073840413633648
Energy: 0.9962464156528518
Energy: 1.0073840413633648
Energy: 1.0080511178346094
Energy: 0.9915317127696621
Energy: 1.3232818973422575
Energy: 0.9915317127696621
Energy: 1.0080511178346094
Energy: 0.9915317127688917
Energy: 1.3111475987228616
Energy: 1.2387194991946464
Energy: 1.3249229665695244
Energy: 1.2387194991946464
Energy: 1.3111475987220913
Energy: 1.2387194991946464
Energy: 1.013451672595002
Energy: 1.0068385390236714
Energy: 0.9986357115943013
Energy: 1.0068385390252121
Energy: 1.013451672595002
Energy: 1.0068385390252121
Energy: 0.9940404701332098
Energy: 1.009755724565017
Energy: 1.0123454393128906
Energy: 1.0097557245642466
Energy: 0.9940404701339803
Energy: 1.0097557245642466
Energy: 0.9958400203419003
Energy: 1.0727131024799463
Energy: 1.4943757095710386
Energy: 1.0727131024799463
Energy: 0.9958400203419003
Energy: 1.0727131024807166
Energy: 1.3281120887955886
Energy: 1.3243044066128147
Energy: 1.3688849580360847
Energy: 1.3243044066143552
Energy: 1.3281120887955886
Energy: 1.3243044066151257
Energy: 0.9915697301073254
Energy: 1.0086709702107193
Energy: 1.000733947821723
Energy: 1.0086709702107193
Energy: 0.9915697301073254
Energy: 1.0086709702099492
Energy: 1.3589276858391555
Energy: 1.0593942692907676
Energy: 0.9930080413428765
Energy: 1.0593942692915377
Energy: 1.3589276858391555
Energy: 1.0593942692915377
Energy: 1.0094316640091183
Energy: 1.3110024543600562
Energy: 1.4821926293639354
Energy: 1.311002454359286
Energy: 1.0094316640098886
Energy: 1.311002454359286
Energy: 1.5207683397014622
Energy: 1.0044089263188831
Energy: 1.355759607441543
Energy: 1.0044089196051724
Energy: 1.5207683397014622
Energy: 1.0044089185625729
Energy: 0.9934098605125897
Energy: 1.006901472428277
Energy: 1.2645361472647143
Energy: 1.006901472428277
Energy: 0.9934098605125897
Energy: 1.006901472428277
Energy: 1.1529327486365817
Energy: 1.0066609903559436
Energy: 0.9929184584074547
Energy: 1.0066609903559436
Energy: 1.1529327486373517
Energy: 1.0066609903559436
Energy: 1.3218498020990888
Energy: 0.9926101457096879
Energy: 1.0095016206859528
Energy: 0.9926101457104582
Energy: 1.3218498020990888
Energy: 0.9926101457112286
Energy: 1.4943291325880521
Energy: 1.2266646131825512
Energy: 1.0110634116521635
Energy: 1.2266646131833217
Energy: 1.4943291325880521
Energy: 1.226664613184092
Energy: 0.9939695586247941
Energy: 1.007228182794944
Energy: 1.309135510879376
Energy: 1.007228182794944
Energy: 0.9939695586255642
Energy: 1.007228182794944
Energy: 1.014708071523651
Energy: 1.0098588817360221
Energy: 0.9932161911674854
Energy: 1.0098588817360221
Energy: 1.014708071523651
Energy: 1.0098588817360221
Energy: 1.3659363047936415
Energy: 1.2308703419329994
Energy: 0.9913070098071503
Energy: 1.2308703419329994
Energy: 1.3659363047928712
Energy: 1.2308703419329994
Energy: 1.4958404633838975
Energy: 1.0716749914502515
Energy: 0.9934595583451203
Energy: 1.0716749914510217
Energy: 1.4958404633838975
Energy: 1.0716749914510217
Energy: 1.0156490693486677
Energy: 1.0106066475946591
Energy: 0.9961603455475703
Energy: 1.0106066475946591
Energy: 1.0156490693478972
Energy: 1.0106066475946591
Energy: 0.9963211200150552
Energy: 1.0079926763948177
Energy: 1.3112292024632013
Energy: 1.0079926763948177
Energy: 0.9963211200158255
Energy: 1.0079926763948177
Energy: 1.322522948822425
Energy: 1.2258415551212858
Energy: 1.0143006115241797
Energy: 1.2258415551212858
Energy: 1.322522948822425
Energy: 1.2258415551212858
Energy: 1.3258488280709637
Energy: 0.9921566248585856
Energy: 1.0092934232162774
Energy: 0.9921566248585856
Energy: 1.3258488280709637
Energy: 0.9921566248585856
Energy: 1.0097940368536922
Energy: 1.0067573178253466
Energy: 0.9940241318770188
Energy: 1.0067573178253466
Energy: 1.0097940368536922
Energy: 1.0067573178253466
Energy: 0.9961991001861827
Energy: 1.205796973377583
Energy: 1.4902477225144937
Energy: 1.2057969733768128
Energy: 0.9961991001854125
Energy: 1.205796973377583
Energy: 1.309368570483676
Energy: 1.0169562274475166
Energy: 1.32183802721736
Energy: 1.0169562274736734
Energy: 1.309368570483676
Energy: 1.0169562274636939
Energy: 1.008852791195355
Energy: 1.1588824539417513
Energy: 1.4452113877095498
Energy: 1.1588824539463733
Energy: 1.0088527911961254
Energy: 1.1588824539456029
Energy: 1.4681564130835671
Energy: 1.0587534905882436
Energy: 0.9936908022390606
Energy: 1.0587534905882436
Energy: 1.4681564130835671
Energy: 1.0587534905882436
Energy: 0.9911573400990825
Energy: 1.0082634488222162
Energy: 1.4135506224583492
Energy: 1.0082634488237567
Energy: 0.9911573400990825
Energy: 1.0082634488229862
Energy: 1.328422884468551
Energy: 1.4250823407758184
Energy: 1.3626272077798225
Energy: 1.4250823407758184
Energy: 1.328422884468551
Energy: 1.4250823407758184
Energy: 0.9927766868025286
Energy: 1.2281574014638275
Energy: 1.494393770693074
Energy: 1.2281574014645977
Energy: 0.9927766868025286
Energy: 1.2281574014630567

minimum gb energy = 0.9911573400990825 eV
minimum distance =  2.17830692970961 Angstroms
sigma value = 41


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

Energy: 0.851638166158913
Energy: 0.8236013845356555
Energy: 1.7168670137545667
Energy: 0.8236013845335521
Energy: 0.851638166158913
Energy: 0.8236013845335521
Energy: 1.5274369996042614
Energy: 0.822448665321363
Energy: 0.8240768524844767
Energy: 0.8224486653192598
Energy: 1.5274369996042614
Energy: 0.8224486653192598
Energy: 0.8524895947962102
Energy: 1.035422417510705
Energy: 0.8267375735637357
Energy: 1.0354224175128082
Energy: 0.8524895947962102
Energy: 1.0354224175128082
Energy: 1.5510512729049184
Energy: 0.8226499864477708
Energy: 0.8244145639226008
Energy: 0.8226499864477708
Energy: 1.5510512729049184
Energy: 0.8226499864477708
Energy: 0.8520317574493262
Energy: 0.8224254307413387
Energy: 0.8254787608631571
Energy: 0.8224254307413387
Energy: 0.8520317574493262
Energy: 0.8224254307413387
Energy: 0.8515588720677313
Energy: 0.8665597419039522
Energy: 0.8249197280917655
Energy: 0.8665597419018489
Energy: 0.8515588720677313
Energy: 0.8665597419018489
Energy: 1.5508877433039516
Energy: 0.822655086320883
Energy: 0.8249759123755941
Energy: 0.822655086320883
Energy: 1.5508877433039516
Energy: 0.822655086320883
Energy: 0.8509255430236576
Energy: 0.822747714684291
Energy: 0.8256471790273521
Energy: 0.822747714684291
Energy: 0.8509255430236576
Energy: 0.822747714684291
Energy: 1.4909854332322796
Energy: 0.8662742298166711
Energy: 0.8244223708897171
Energy: 0.8662742298145679
Energy: 1.4909854332322796
Energy: 0.8662742298145679
Energy: 0.8522298607397298
Energy: 0.8230367684249907
Energy: 0.8268027264628413
Energy: 0.8230367684249907
Energy: 0.8522298607397298
Energy: 0.8230367684249907
Energy: 1.4967367871758084
Energy: 0.8227317949814484
Energy: 0.8242320786701863
Energy: 0.8227317949793452
Energy: 1.4967367871758084
Energy: 0.8227317949793452
Energy: 0.8521772051651034
Energy: 1.0353028985814807
Energy: 1.4852530985050933
Energy: 1.0353028985814807
Energy: 0.8521772051630001
Energy: 1.0353028985814807
Energy: 1.4967026560931727
Energy: 0.8224680156711731
Energy: 0.8242205877244089
Energy: 0.8224680156732764
Energy: 1.4967026560931727
Energy: 0.8224680156732764
Energy: 0.8522329414201856
Energy: 0.8230518848745905
Energy: 0.8268047576389409
Energy: 0.8230518848724874
Energy: 0.8522329414201856
Energy: 0.8230518848724874

minimum gb energy = 0.8224254307413387 eV
minimum distance =  2.34244815832878 Angstroms
sigma value = 11


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

Energy: 1.1292704193439864
Energy: 1.1101624454611765
Energy: 1.5448243904325136
Energy: 1.1101624454611765
Energy: 1.1292704193412144
Energy: 1.1101624454611765
Energy: 1.0983265481825695
Energy: 1.1170366076041875
Energy: 1.0970277661692238
Energy: 1.1170366076041875
Energy: 1.0983265481834936
Energy: 1.1170366076041875
Energy: 1.0978114312630158
Energy: 1.1512554582314378
Energy: 1.0974236882991002
Energy: 1.151255458230514
Energy: 1.0978114312620917
Energy: 1.1512554582314378
Energy: 1.1166754760630704
Energy: 1.118341322697698
Energy: 1.0969905763047414
Energy: 1.118341322697698
Energy: 1.1166754760630704
Energy: 1.118341322697698
Energy: 1.0974786834082024
Energy: 1.1891122973440198
Energy: 1.120001906659687
Energy: 1.1891122973440198
Energy: 1.0974786834082024
Energy: 1.1891122973440198
Energy: 1.1342135840340835
Energy: 1.183594194398017
Energy: 1.0970794513198714
Energy: 1.1835941943989412
Energy: 1.1342135840340835
Energy: 1.1835941943989412
Energy: 1.1166834066186913
Energy: 1.1889855702331564
Energy: 1.1297801481372787
Energy: 1.1889855702340806
Energy: 1.1166834066177673
Energy: 1.1889855702331564
Energy: 1.0985693452753398
Energy: 1.1193327251073368
Energy: 1.097125782559376
Energy: 1.119332725108261
Energy: 1.0985693452753398
Energy: 1.1193327251073368
Energy: 1.0989739782165924
Energy: 1.1923817949338629
Energy: 1.0966647862863688
Energy: 1.1923817949338629
Energy: 1.0989739782165924
Energy: 1.1923817949338629
Energy: 1.0965325061153
Energy: 1.1168701813201587
Energy: 1.1173045576893086
Energy: 1.1168701813201587
Energy: 1.096532506116224
Energy: 1.1168701813201587
Energy: 1.1193669462408358
Energy: 1.0970312355424545
Energy: 1.1318818054887674
Energy: 1.0970312355433782
Energy: 1.1193669462417597
Energy: 1.0970312355424545
Energy: 1.098655773364577
Energy: 1.18334195790113
Energy: 1.1313499385112185
Energy: 1.183341957900206
Energy: 1.098655773364577
Energy: 1.183341957900206
Energy: 1.097102324127727
Energy: 1.1169199885982262
Energy: 1.1509198442108852
Energy: 1.116919988597302
Energy: 1.097102324127727
Energy: 1.116919988597302
Energy: 1.1180677052812231
Energy: 1.195286102603645
Energy: 1.1177340031673342
Energy: 1.195286102603645
Energy: 1.1180677052821468
Energy: 1.195286102603645
Energy: 1.0968976874039256
Energy: 1.425603826033748
Energy: 1.1003598920349016
Energy: 1.425603826033748
Energy: 1.0968976874039256
Energy: 1.425603826033748
Energy: 1.117052274494466
Energy: 1.1307663237572694
Energy: 1.1297630584549008
Energy: 1.1307663231347864
Energy: 1.117052274494466
Energy: 1.1307663231015446
Energy: 1.129918345904158
Energy: 1.1894022898836636
Energy: 1.0980623439752795
Energy: 1.1894022898827397
Energy: 1.129918345904158
Energy: 1.1894022898836636
Energy: 1.0969080348078586
Energy: 1.425560680559748
Energy: 1.096806601753886
Energy: 1.425560680560672
Energy: 1.0969080348087827
Energy: 1.425560680560672
Energy: 1.1167777072298235
Energy: 1.1171045875190173
Energy: 1.117336591441497
Energy: 1.1171045875190173
Energy: 1.1167777072288994
Energy: 1.1171045875190173
Energy: 1.0968659906966265
Energy: 1.1170178156114972
Energy: 1.0995026973952424
Energy: 1.1170178156114972
Energy: 1.0968659906966265
Energy: 1.1170178156114972
Energy: 1.131001328933768
Energy: 1.1830670529146223
Energy: 1.0979828005857515
Energy: 1.1830670529155465
Energy: 1.131001328932844
Energy: 1.1830670529155465
Energy: 1.131878858214135
Energy: 1.0971188972805896
Energy: 1.1176941326710557
Energy: 1.097118897279666
Energy: 1.131878858214135
Energy: 1.0971188972805896
Energy: 1.2642713348127794
Energy: 1.2108988618598573
Energy: 1.1482109903666842
Energy: 1.2108988618607814
Energy: 1.2642713348127794
Energy: 1.2108988618607814
Energy: 1.0967103580372926
Energy: 1.1920657926374778
Energy: 1.098187738903576
Energy: 1.1920657926374778
Energy: 1.0967103580372926
Energy: 1.1920657926374778
Energy: 1.1003093358808698
Energy: 1.1759899261016487
Energy: 1.0975757381129534
Energy: 1.1759899261007247
Energy: 1.1003093358808698
Energy: 1.1759899261007247
Energy: 1.1300365990921435
Energy: 1.1888041286377746
Energy: 1.1166838464031612
Energy: 1.1888041286386983
Energy: 1.1300365990921435
Energy: 1.1888041286386983
Energy: 1.0972731933409052
Energy: 1.1828459425986613
Energy: 1.0974799552176562
Energy: 1.1828459425986613
Energy: 1.0972731933409052
Energy: 1.1828459425995854
Energy: 1.1166844990275584
Energy: 1.1888047306169105
Energy: 1.134897753800535
Energy: 1.1888047306178344
Energy: 1.1166844990275584
Energy: 1.1888047306178344
Energy: 1.0976027657297303
Energy: 1.117466511097748
Energy: 1.11666018791826
Energy: 1.117466511097748
Energy: 1.0976027657297303
Energy: 1.117466511097748
Energy: 1.0971155404052828
Energy: 1.1177551960242622
Energy: 1.0987288489521039
Energy: 1.1177551960251864
Energy: 1.0971155404052828
Energy: 1.1177551960251864
Energy: 1.0967053397321445
Energy: 1.1208219379493423
Energy: 1.0988805827089658
Energy: 1.1208219379502664
Energy: 1.0967053397321445
Energy: 1.1208219379511901

minimum gb energy = 1.0965325061153 eV
minimum distance =  2.20990538818402 Angstroms
sigma value = 57


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

Energy: 1.2401196638207463
Energy: 1.296414321358232
Energy: 1.4944206980676105
Energy: 1.296414321358232
Energy: 1.240119663819102
Energy: 1.296414321358232
Energy: 1.1901683492495505
Energy: 1.1803992424622782
Energy: 1.1791323435642702
Energy: 1.1803992424622782
Energy: 1.1901683492479063
Energy: 1.1803992424622782
Energy: 1.1795738821877413
Energy: 1.2885001684417057
Energy: 1.17933291535318
Energy: 1.2885001684417057
Energy: 1.1795738821877413
Energy: 1.2885001684417057
Energy: 1.1793294087239647
Energy: 1.601262321763189
Energy: 1.1793228148800905
Energy: 1.601262321763189
Energy: 1.1793294087239647
Energy: 1.601262321763189
Energy: 1.1793338131605415
Energy: 1.2884534427599232
Energy: 1.1796892470520106
Energy: 1.288453442758279
Energy: 1.1793338131605415
Energy: 1.2884534427599232
Energy: 1.1791279440055618
Energy: 1.1803860316161456
Energy: 1.1901804940363494
Energy: 1.1803860316161456
Energy: 1.179127944007206
Energy: 1.1803860316161456
Energy: 1.4944206980676105
Energy: 1.296414321358232
Energy: 1.2401196638207463
Energy: 1.296414321358232
Energy: 1.4944206980676105
Energy: 1.296414321358232
Energy: 1.1791323435642702
Energy: 1.2793931818638422
Energy: 1.1901683492495505
Energy: 1.2793931818638422
Energy: 1.1791323435642702
Energy: 1.2793931818638422
Energy: 1.17933291535318
Energy: 1.2885001684417057
Energy: 1.1795738821877413
Energy: 1.2885001684417057
Energy: 1.17933291535318
Energy: 1.2885001684417057
Energy: 1.1793228148800905
Energy: 1.601262321763189
Energy: 1.1793294087223205
Energy: 1.601262321763189
Energy: 1.1793228148800905
Energy: 1.601262321763189
Energy: 1.1796892470520106
Energy: 1.2884534427599232
Energy: 1.1793338131605415
Energy: 1.288453442758279
Energy: 1.1796892470520106
Energy: 1.288453442758279
Energy: 1.1901804940363494
Energy: 1.1803860316177894
Energy: 1.179127944007206
Energy: 1.1803860316161456
Energy: 1.1901804940363494
Energy: 1.1803860316177894
Energy: 1.2401196638207463
Energy: 1.296414321356588
Energy: 1.4024935231962927
Energy: 1.296414321358232
Energy: 1.2401196638207463
Energy: 1.296414321358232
Energy: 1.1901683492479063
Energy: 1.2334113577305508
Energy: 1.1791323435642702
Energy: 1.2334113577289065
Energy: 1.1901683492495505
Energy: 1.2334113577289065
Energy: 1.179573882186097
Energy: 1.2885001684417057
Energy: 1.17933291535318
Energy: 1.2885001684417057
Energy: 1.179573882186097
Energy: 1.2885001684417057
Energy: 1.1793294087239647
Energy: 1.601262321763189
Energy: 1.1793228148800905
Energy: 1.601262321763189
Energy: 1.1793294087239647
Energy: 1.4223827418262602
Energy: 1.1793338131605415
Energy: 1.2884534427599232
Energy: 1.1796892470520106
Energy: 1.288453442758279
Energy: 1.1793338131605415
Energy: 1.288453442758279

minimum gb energy = 1.1791279440055618 eV
minimum distance =  2.22750406002073 Angstroms
sigma value = 9


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

Energy: 1.3806775383241972
Energy: 1.3077645270509328
Energy: 1.3412207360446013
Energy: 1.3077645270509328
Energy: 1.3806775383241972
Energy: 1.3077645270509328
Energy: 1.2935818266065588
Energy: 1.4154544359147736
Energy: 1.303294341068495
Energy: 1.4154544359134313
Energy: 1.2935818266065588
Energy: 1.4154544359134313
Energy: 1.287013162539654
Energy: 1.295113635349306
Energy: 1.302179307926495
Energy: 1.2951136353506483
Energy: 1.2870131625409962
Energy: 1.2951136353506483
Energy: 1.2868977017897034
Energy: 1.3104085259308906
Energy: 1.2817888669844704
Energy: 1.310408525929548
Energy: 1.2868977017883605
Energy: 1.3104085259308906
Energy: 1.2564964790955937
Energy: 1.389499918140821
Energy: 1.2670392532024124
Energy: 1.389499918140821
Energy: 1.2564964790955937
Energy: 1.389499918140821
Energy: 1.2876751678554539
Energy: 1.3109942670001742
Energy: 1.3059042666213012
Energy: 1.3109942670001742
Energy: 1.2876751678554539
Energy: 1.3109942670001742
Energy: 1.2867411977176215
Energy: 1.4360238826147849
Energy: 1.300871662371145
Energy: 1.4360238826147849
Energy: 1.2867411977189638
Energy: 1.4360238826147849
Energy: 1.2750899487188188
Energy: 1.343169910429544
Energy: 1.3029925821622368
Energy: 1.343169910429544
Energy: 1.2750899487201612
Energy: 1.343169910429544
Energy: 1.2380298887545007
Energy: 1.4130320163903216
Energy: 1.2707044239256247
Energy: 1.4130320163903216
Energy: 1.2380298887531578
Energy: 1.4130320163889791
Energy: 1.3067014613493286
Energy: 1.437708336327754
Energy: 1.2994747047660344
Energy: 1.437708336327754
Energy: 1.3067014613493286
Energy: 1.4377083363264116
Energy: 1.286123451052762
Energy: 1.3620442598069837
Energy: 1.2823011184341129
Energy: 1.3620442598069837
Energy: 1.286123451052762
Energy: 1.3620442598069837
Energy: 1.2878386844644918
Energy: 1.2884876643787848
Energy: 1.280927771256785
Energy: 1.2884876643800969
Energy: 1.2878386844644918
Energy: 1.2884876643787848
Energy: 1.286241787496218
Energy: 1.3833621112378507
Energy: 1.2813351136418274
Energy: 1.3833621112365082
Energy: 1.286241787496218
Energy: 1.3833621112365082
Energy: 1.2878553514699582
Energy: 1.2870142625875483
Energy: 1.2710531720161609
Energy: 1.2870142625875483
Energy: 1.2878553514699582
Energy: 1.2870142625875483
Energy: 1.3291961580582388
Energy: 1.43624156502605
Energy: 1.3221542177134182
Energy: 1.4362415650247073
Energy: 1.3291961580582388
Energy: 1.4362415650247073
Energy: 1.3122507864460553
Energy: 1.4532633731891187
Energy: 1.2827134278097962
Energy: 1.4532633731891187
Energy: 1.3122507864460553
Energy: 1.4532633731891187
Energy: 1.3127623161526498
Energy: 1.3051183763835867
Energy: 1.2862224828606523
Energy: 1.3051183763822443
Energy: 1.3127623161526498
Energy: 1.3051183763835867
Energy: 1.3313864036663394
Energy: 1.2880387814259406
Energy: 1.299392117160373
Energy: 1.2880387814259406
Energy: 1.3313864036663394
Energy: 1.2880387814272831
Energy: 1.2880380902044513
Energy: 1.2885153480706484
Energy: 1.2802059940457378
Energy: 1.2885153480719909
Energy: 1.2880380902031088
Energy: 1.2885153480719909
Energy: 1.287105001051749
Energy: 1.3286834117887263
Energy: 1.2656125802464668
Energy: 1.3286834117887263
Energy: 1.287105001051749
Energy: 1.3286834117887263
Energy: 1.2878175576843576
Energy: 1.2889905771763868
Energy: 1.2670216118512438
Energy: 1.2889905771777292
Energy: 1.2878175576857003
Energy: 1.2889905771777292

minimum gb energy = 1.2380298887531578 eV
minimum distance =  2.21211239426141 Angstroms
sigma value = 27


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

Energy: 1.3868114021440678
Energy: 1.2495913186857082
Energy: 1.4036383233477596
Energy: 1.2495913186857082
Energy: 1.386811402142936
Energy: 1.2495913186857082
Energy: 1.2373096525498806
Energy: 1.2342761149190977
Energy: 1.237092206084786
Energy: 1.2342761149190977
Energy: 1.2373096525487488
Energy: 1.2342761149190977
Energy: 1.2453110319580505
Energy: 1.24576306645865
Energy: 1.237151402005874
Energy: 1.2457630664597819
Energy: 1.2453110319580505
Energy: 1.24576306645865
Energy: 1.2405665606876382
Energy: 1.3962059407142062
Energy: 1.272759600944866
Energy: 1.3962059407153378
Energy: 1.2405665606876382
Energy: 1.3962059407153378
Energy: 1.238575656009363
Energy: 1.458075680295002
Energy: 1.2374036169279516
Energy: 1.458075680295002
Energy: 1.238575656009363
Energy: 1.458075680295002
Energy: 1.2484231980654692
Energy: 1.2497472638989846
Energy: 1.2457890299184948
Energy: 1.2497472638989846
Energy: 1.2484231980654692
Energy: 1.2497472638989846
Energy: 1.2403965620003188
Energy: 1.403267410621027
Energy: 1.2376719937800258
Energy: 1.4032674106221585
Energy: 1.2403965620003188
Energy: 1.4032674106221585
Energy: 1.2376733627153667
Energy: 1.3478867857261958
Energy: 1.2378980584572803
Energy: 1.3478867857261958
Energy: 1.2376733627153667
Energy: 1.3478867857261958
Energy: 1.3316208576188093
Energy: 1.3902966722235677
Energy: 1.292392966341314
Energy: 1.3902966722224361
Energy: 1.331620857619941
Energy: 1.3902966722235677
Energy: 1.237677942096503
Energy: 1.2382592421379035
Energy: 1.2871874063093987
Energy: 1.2382592421379035
Energy: 1.2376779420976347
Energy: 1.238259242139035
Energy: 1.2377012740419793
Energy: 1.2382827742631524
Energy: 1.2874448615042344
Energy: 1.2382827742631524
Energy: 1.2377012740419793
Energy: 1.2382827742620206
Energy: 1.3315717586119018
Energy: 1.3903112517556362
Energy: 1.2922671171077014
Energy: 1.3903112517556362
Energy: 1.3315717586119018
Energy: 1.3903112517556362
Energy: 1.2376690215842996
Energy: 1.3478394070262678
Energy: 1.2376907933267962
Energy: 1.3478394070262678
Energy: 1.2376690215842996
Energy: 1.3478394070262678
Energy: 1.2403751100880136
Energy: 1.403269319364416
Energy: 1.237597100461757
Energy: 1.4032693193655474
Energy: 1.2403751100891451
Energy: 1.403269319364416
Energy: 1.2484721928074918
Energy: 1.2454896148061572
Energy: 1.2458441754371257
Energy: 1.245489614807289
Energy: 1.2484721928074918
Energy: 1.245489614807289
Energy: 1.2385827929654452
Energy: 1.4580756802938701
Energy: 1.2374115955193359
Energy: 1.4580756802938701
Energy: 1.2385827929643134
Energy: 1.4580756802938701
Energy: 1.2405179395574168
Energy: 1.3960485744930198
Energy: 1.245228146417221
Energy: 1.3960485744930198
Energy: 1.2405179395574168
Energy: 1.3960485744930198
Energy: 1.2452898421150347
Energy: 1.2456626562884208
Energy: 1.2371170488403926
Energy: 1.2456626562884208
Energy: 1.2452898421150347
Energy: 1.2456626562884208
Energy: 1.2374368498733255
Energy: 1.2344711601614105
Energy: 1.2370714799533842
Energy: 1.2344711601614105
Energy: 1.2374368498733255
Energy: 1.2344711601614105
Energy: 1.386811402142936
Energy: 1.2495913186857082
Energy: 1.3711411477781283
Energy: 1.2495913186857082
Energy: 1.386811402142936
Energy: 1.2495913186857082
Energy: 1.2373096525498806
Energy: 1.2342761149190977
Energy: 1.237092206084786
Energy: 1.2342761149190977
Energy: 1.2373096525498806
Energy: 1.2342761149190977
Energy: 1.2453110319580505
Energy: 1.24576306645865
Energy: 1.2371514020047423
Energy: 1.24576306645865
Energy: 1.2453110319580505
Energy: 1.24576306645865
Energy: 1.2405665606876382
Energy: 1.3962059407153378
Energy: 1.2807500669947174
Energy: 1.3962059407153378
Energy: 1.2405665606876382
Energy: 1.3962059407153378
Energy: 1.238575656009363
Energy: 1.458075680295002
Energy: 1.2374036169279516
Energy: 1.458075680295002
Energy: 1.238575656009363
Energy: 1.458075680295002
Energy: 1.2484231980654692
Energy: 1.2497472638989846
Energy: 1.2457890299184948
Energy: 1.2497472638989846
Energy: 1.2484231980654692
Energy: 1.2497472638989846

minimum gb energy = 1.2342761149190977 eV
minimum distance =  2.25447587286797 Angstroms
sigma value = 19


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

Energy: 1.3686281235405995
Energy: 1.2099001726867258
Energy: 1.3424297176651832
Energy: 1.209900172685749
Energy: 1.3686281235405995
Energy: 1.209900172685749
Energy: 1.218038911150591
Energy: 1.3513312065816208
Energy: 1.1948606616199275
Energy: 1.3513312065825975
Energy: 1.218038911150591
Energy: 1.3513312065825975
Energy: 1.2048403004225758
Energy: 1.3854172562857656
Energy: 1.1949084758630053
Energy: 1.3854172562847888
Energy: 1.2048403004225758
Energy: 1.3854172562847888
Energy: 1.2181004732800622
Energy: 1.4082696551138632
Energy: 1.2326160084864735
Energy: 1.4082696551138632
Energy: 1.218100473281039
Energy: 1.4082696551138632
Energy: 1.2182009178108957
Energy: 1.327484184140395
Energy: 1.2381919584738168
Energy: 1.3274841841394183
Energy: 1.2182009178108957
Energy: 1.3274841841394183
Energy: 1.2065096344139967
Energy: 1.3532292802680914
Energy: 1.2266808335046022
Energy: 1.3532292802671146
Energy: 1.2065096344139967
Energy: 1.3532292802671146
Energy: 1.2180543463780629
Energy: 1.4133902707988246
Energy: 1.2372484766735357
Energy: 1.4133902707988246
Energy: 1.2180543463780629
Energy: 1.4133902707988246
Energy: 1.2188541790460272
Energy: 1.3530808768068674
Energy: 1.226691133253072
Energy: 1.3530808768068674
Energy: 1.2188541790450504
Energy: 1.3530808768068674
Energy: 1.218228063205003
Energy: 1.3907996840012176
Energy: 1.2671761679007976
Energy: 1.3907996840002408
Energy: 1.2182280632059799
Energy: 1.3907996840002408
Energy: 1.2184977268423003
Energy: 1.28175812714929
Energy: 1.1947511301421383
Energy: 1.28175812714929
Energy: 1.2184977268413235
Energy: 1.28175812714929
Energy: 1.2272453896288549
Energy: 1.3868714369996362
Energy: 1.1951011837038235
Energy: 1.3868714369996362
Energy: 1.2272453896288549
Energy: 1.3868714369986594
Energy: 1.2382817923477245
Energy: 1.1954891686827618
Energy: 1.194899632914546
Energy: 1.1954891686827618
Energy: 1.2382817923467477
Energy: 1.1954891686827618
Energy: 1.2381728620045962
Energy: 1.195279898960666
Energy: 1.1960787685657501
Energy: 1.1952798989596891
Energy: 1.238172862005573
Energy: 1.1952798989596891
Energy: 1.2059193947289295
Energy: 1.3864131014245902
Energy: 1.2613006977281418
Energy: 1.3864131014236134
Energy: 1.2059193947289295
Energy: 1.3864131014245902
Energy: 1.236481950404392
Energy: 1.3911240913054561
Energy: 1.196094255022733
Energy: 1.3911240913044793
Energy: 1.2364819504034152
Energy: 1.3911240913044793
Energy: 1.2352556980405083
Energy: 1.352401127202029
Energy: 1.1970573010256949
Energy: 1.3524011272030059
Energy: 1.2352556980405083
Energy: 1.352401127202029
Energy: 1.2039324341031814
Energy: 1.3524073562171453
Energy: 1.1963195232782244
Energy: 1.352407356218122
Energy: 1.2039324341031814
Energy: 1.352407356218122
Energy: 1.2352577795946778
Energy: 1.5020323686311963
Energy: 1.1950483985500349
Energy: 1.5020323686311963
Energy: 1.2352577795946778
Energy: 1.5020323686311963
Energy: 1.203939237037422
Energy: 1.352400231671226
Energy: 1.1963123885623765
Energy: 1.352400231671226
Energy: 1.203939237037422
Energy: 1.352400231671226
Energy: 1.2353503896170166
Energy: 1.3524792349570764
Energy: 1.1970736672293787
Energy: 1.3524792349560997
Energy: 1.2353503896170166
Energy: 1.3524792349560997
Energy: 1.2364887599584768
Energy: 1.3911304742229154
Energy: 1.196080699710052
Energy: 1.3911304742229154
Energy: 1.2364887599584768
Energy: 1.3911304742229154
Energy: 1.2059206003716223
Energy: 1.3863965008807344
Energy: 1.26126647974697
Energy: 1.3863965008807344
Energy: 1.2059206003716223
Energy: 1.3863965008807344
Energy: 1.238002797043423
Energy: 1.1950830192924546
Energy: 1.1959648365140332
Energy: 1.1950830192914779
Energy: 1.238002797043423
Energy: 1.1950830192914779
Energy: 1.2382880437736246
Energy: 1.195531677697877
Energy: 1.1948886159636705
Energy: 1.195531677697877
Energy: 1.2382880437736246
Energy: 1.195531677697877
Energy: 1.2272748356214076
Energy: 1.386867035268721
Energy: 1.1950692694972627
Energy: 1.386867035268721
Energy: 1.2272748356214076
Energy: 1.386867035268721
Energy: 1.218560333288717
Energy: 1.2817347432924506
Energy: 1.194760036428162
Energy: 1.2817347432924506
Energy: 1.218560333288717
Energy: 1.2817347432924506
Energy: 1.2182715930747217
Energy: 1.3908065129754257
Energy: 1.2671761679007976
Energy: 1.390806512974449
Energy: 1.2182715930747217
Energy: 1.390806512974449
Energy: 1.2188041290857174
Energy: 1.3530838221439696
Energy: 1.2266488172803385
Energy: 1.3530838221439696
Energy: 1.2188041290847407
Energy: 1.3530838221439696
Energy: 1.2180656925436433
Energy: 1.4133902707998014
Energy: 1.2372445806188608
Energy: 1.4133902707988246
Energy: 1.218065692542689
Energy: 1.4133902707988246

minimum gb energy = 1.1947511301421383 eV
minimum distance =  2.21158439665772 Angstroms
sigma value = 101


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

Energy: 1.3333408905053488
Energy: 1.2485173412083546
Energy: 1.31576848518099
Energy: 1.248517341209213
Energy: 1.3333408905053488
Energy: 1.248517341209213
Energy: 1.1884911091009458
Energy: 1.172126684283442
Energy: 1.1881320789735754
Energy: 1.172126684283442
Energy: 1.1884911091009458
Energy: 1.172126684283442
Energy: 1.16696283595628
Energy: 1.1598165271023801
Energy: 1.1884103985401804
Energy: 1.1598165271023801
Energy: 1.166962835957139
Energy: 1.1598165271023801
Energy: 1.1909175868687152
Energy: 1.1676695651166829
Energy: 1.1854818060064587
Energy: 1.1676695651166829
Energy: 1.1909175868678563
Energy: 1.1676695651166829
Energy: 1.1600134462091225
Energy: 1.2448181050561704
Energy: 1.167082425002076
Energy: 1.2448181050561704
Energy: 1.1600134462099811
Energy: 1.2448181050561704
Energy: 1.1671294296142303
Energy: 1.3481260066328722
Energy: 1.160941889403924
Energy: 1.3481260066328722
Energy: 1.1671294296142303
Energy: 1.3481260066328722
Energy: 1.1670286457770978
Energy: 1.3830029460380664
Energy: 1.159895218354812
Energy: 1.3830029460380664
Energy: 1.1670286457770978
Energy: 1.3830029460380664
Energy: 1.166247763550569
Energy: 1.385801519797871
Energy: 1.1664100719599695
Energy: 1.385801519797871
Energy: 1.1662477635514275
Energy: 1.385801519797871
Energy: 1.1596905099953227
Energy: 1.349018872166261
Energy: 1.1672346423353623
Energy: 1.349018872166261
Energy: 1.1596905099953227
Energy: 1.349018872166261
Energy: 1.1592259518874433
Energy: 1.2673020901540981
Energy: 1.1596422505337822
Energy: 1.2673020901532395
Energy: 1.1592259518883017
Energy: 1.2673020901532395
Energy: 1.2085478075256242
Energy: 1.3381335742727838
Energy: 1.2369396375006438
Energy: 1.3381335742727838
Energy: 1.2085478075256242
Energy: 1.3381335742727838
Energy: 1.1881908042324065
Energy: 1.159992582178541
Energy: 1.1606792851771355
Energy: 1.159992582178541
Energy: 1.1881908042324065
Energy: 1.159992582178541
Energy: 1.188525104174198
Energy: 1.1598627215562631
Energy: 1.1759277158703556
Energy: 1.1598627215562631
Energy: 1.1885251041750566
Energy: 1.1598627215562631
Energy: 1.1833723524638862
Energy: 1.1782632375662174
Energy: 1.1887471438626123
Energy: 1.1782632375662174
Energy: 1.1833723524647446
Energy: 1.1782632375662174
Energy: 1.1592793693229242
Energy: 1.2522723875731288
Energy: 1.1880729961746206
Energy: 1.2522723875731288
Energy: 1.1592793693229242
Energy: 1.2522723875731288
Energy: 1.2133833565470067
Energy: 1.1728368285431512
Energy: 1.1665610625509968
Energy: 1.1728368285440098
Energy: 1.2133833565470067
Energy: 1.1728368285440098
Energy: 1.1599059220304484
Energy: 1.1810041924472363
Energy: 1.15946600920592
Energy: 1.181004192448095
Energy: 1.1599059220304484
Energy: 1.1810041924472363
Energy: 1.1684169912871818
Energy: 1.1674209498611412
Energy: 1.159404507290641
Energy: 1.1674209498611412
Energy: 1.1684169912871818
Energy: 1.1674209498611412
Energy: 1.1727511193280626
Energy: 1.3425861651907156
Energy: 1.1664901824589604
Energy: 1.342586165189857
Energy: 1.1727511193280626
Energy: 1.3425861651907156
Energy: 1.1595715613076363
Energy: 1.2104319333016316
Energy: 1.1591932070253457
Energy: 1.2104319333016316
Energy: 1.159571561308495
Energy: 1.2104319333016316
Energy: 1.180902877970557
Energy: 1.1667791121921136
Energy: 1.166750857265399
Energy: 1.1667791121921136
Energy: 1.180902877970557
Energy: 1.1667791121921136
Energy: 1.160867461085581
Energy: 1.3459621151605612
Energy: 1.1592295194053999
Energy: 1.3459621151605612
Energy: 1.160867461085581
Energy: 1.3459621151605612
Energy: 1.166159462474712
Energy: 1.346165100152864
Energy: 1.1597525122106511
Energy: 1.346165100152864
Energy: 1.166159462474712
Energy: 1.346165100152864
Energy: 1.1908894348510037
Energy: 1.1816740210625263
Energy: 1.2085859667050767
Energy: 1.181674021063385
Energy: 1.1908894348510037
Energy: 1.1816740210651022
Energy: 1.159878776195988
Energy: 1.2436610714583676
Energy: 1.1593490963356765
Energy: 1.2436610714583676
Energy: 1.1598787761968465
Energy: 1.2436610714583676
Energy: 1.1759008486431861
Energy: 1.1784984107261904
Energy: 1.2134330329669218
Energy: 1.1784984107261904
Energy: 1.1759008486431861
Energy: 1.1784984107261904
Energy: 1.188544322637535
Energy: 1.1595322252976212
Energy: 1.1595656734608872
Energy: 1.1595322252976212
Energy: 1.1885443226366763
Energy: 1.1595322252976212
Energy: 1.18815680205601
Energy: 1.1599775671393295
Energy: 1.1615756834199478
Energy: 1.1599775671393295
Energy: 1.18815680205601
Energy: 1.1599775671393295
Energy: 1.220012051670149
Energy: 1.1777135373967147
Energy: 1.2635796266977335
Energy: 1.1777135373967147
Energy: 1.220012051670149
Energy: 1.1777135373967147
Energy: 1.1593257518712803
Energy: 1.1612304330036276
Energy: 1.1595619463743783
Energy: 1.1612304330027692
Energy: 1.1593257518712803
Energy: 1.1612304330036276
Energy: 1.159501047320549
Energy: 1.1812831972267002
Energy: 1.1663281839335418
Energy: 1.1812831972267002
Energy: 1.159501047320549
Energy: 1.1812831972258413
Energy: 1.175865539035612
Energy: 1.3417471810411867
Energy: 1.1595744779466213
Energy: 1.341747181040328
Energy: 1.175865539035612
Energy: 1.341747181040328
Energy: 1.1598380211822985
Energy: 1.2086125891173367
Energy: 1.1665274426534666
Energy: 1.2086125891173367
Energy: 1.1598380211822985
Energy: 1.2086125891173367

minimum gb energy = 1.1591932070253457 eV
minimum distance =  2.23468785315938 Angstroms
sigma value = 33


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

Energy: 0.015091472912265131
Energy: 0.015861701664505286
Energy: 1.2149514487710003
Energy: 0.01586170166379185
Energy: 0.015091472912265131
Energy: 0.01586170166379185
Energy: 0.015231538838760791
Energy: 0.6840726089537946
Energy: 0.015231538838760791
Energy: 0.6840726089537946
Energy: 0.015231538838047353
Energy: 0.6840726089537946
Energy: 1.2149514487703268
Energy: 0.015861701664505286
Energy: 0.015091472912265131
Energy: 0.01586170166379185
Energy: 1.2149514487710003
Energy: 0.015861701664505286
Energy: 0.015231538838760791
Energy: 0.6840726089537946
Energy: 0.015231538838047353
Energy: 0.6840726089537946
Energy: 0.015231538838047353
Energy: 0.6840726089537946

minimum gb energy = 0.015091472912265131 eV
minimum distance =  2.4456176495203 Angstroms
sigma value = 1