Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
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: 0.01740519406534541
Energy: 0.017913147544488157
Energy: 1.2785744625138793
Energy: 0.01791314766705499
Energy: 0.01740519406534541
Energy: 0.017913147606369237
Energy: 0.017913147610001186
Energy: 4.619531617871831
Energy: 0.017913147572808173
Energy: 4.619531617873441
Energy: 0.017913147763692454
Energy: 4.619531617872613
Energy: 1.2786117664806478
Energy: 0.017913147559475696
Energy: 0.01740519406534541
Energy: 0.0179131475982778
Energy: 1.27854169118302
Energy: 0.017913147549361404
Energy: 0.01791314791411957
Energy: 4.619531617873027
Energy: 0.017913147546924777
Energy: 4.619531617872613
Energy: 0.017913147629034447
Energy: 4.619531617872613
Energy: 0.01740519406534541
Energy: 0.017913147587795716
Energy: 1.278572104470556
Energy: 0.017913147680801232
Energy: 0.01740519406534541
Energy: 0.017913147646412636
Energy: 0.01791314757887675
Energy: 4.619531617871831
Energy: 0.017913147591427665
Energy: 4.619531617873027
Energy: 0.017913147576026356
Energy: 4.619531617872613

minimum gb energy = 0.01740519406534541 eV
minimum distance =  2.61353463646298 Angstroms
sigma value = 1


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

Energy: 2.6417186916134474
Energy: 2.2881038211977627
Energy: 2.1021536255805118
Energy: 2.2881038211987583
Energy: 2.6417186916134474
Energy: 2.2881038211987583
Energy: 2.4191232213461356
Energy: 2.159927938767245
Energy: 2.4317088890570133
Energy: 2.159927938766249
Energy: 2.4191232213461356
Energy: 2.159927938767245
Energy: 2.1140428663380417
Energy: 2.1632061762829466
Energy: 2.513503391490591
Energy: 2.1632061762829466
Energy: 2.1140428663380417
Energy: 2.1632061762829466
Energy: 2.371726867841903
Energy: 2.1558499383995677
Energy: 2.25645370047285
Energy: 2.1558499384005634
Energy: 2.371726867840907
Energy: 2.1558499384025556
Energy: 2.2790381654176697
Energy: 2.242675155623972
Energy: 2.530732210767274
Energy: 2.242675155623972
Energy: 2.2790381654166736
Energy: 2.242675155623972
Energy: 2.4208579677608504
Energy: 2.157142320241342
Energy: 2.152718577355699
Energy: 2.157142320241342
Energy: 2.4208579677608504
Energy: 2.157142320240346
Energy: 2.464382450652008
Energy: 2.2071729327373597
Energy: 2.118667736766509
Energy: 2.2071729327383554
Energy: 2.464382450652008
Energy: 2.2071729327383554
Energy: 2.3127700761974275
Energy: 2.2527994868685823
Energy: 2.694136448274352
Energy: 2.2527994868685823
Energy: 2.3127700761974275
Energy: 2.25279948686659
Energy: 2.363181332508735
Energy: 2.0900745656436124
Energy: 2.401653304880753
Energy: 2.0900745656426163
Energy: 2.363181332508735
Energy: 2.0900745656436124
Energy: 2.5252582143580207
Energy: 2.176975260965545
Energy: 2.1123864728033976
Energy: 2.176975260965545
Energy: 2.5252582143580207
Energy: 2.176975260966541
Energy: 2.3836720906808964
Energy: 2.2784419815609636
Energy: 2.3941422940569215
Energy: 2.278441981563952
Energy: 2.3836720906799007
Energy: 2.2784419815579757
Energy: 2.176312810134882
Energy: 2.2483380647223035
Energy: 2.176614428038224
Energy: 2.2483380647223035
Energy: 2.176312810136874
Energy: 2.2483380647223035
Energy: 2.3875296894207736
Energy: 2.3560025945078342
Energy: 2.4110940979810533
Energy: 2.3560025944989156
Energy: 2.3875296894207736
Energy: 2.3560025944909477
Energy: 2.11683180870215
Energy: 2.1614815267599123
Energy: 2.5144785369679563
Energy: 2.1614815267599123
Energy: 2.116831808701154
Energy: 2.1614815267599123
Energy: 2.425459257113712
Energy: 2.1012624029143643
Energy: 2.4209014298914133
Energy: 2.101262402913368
Energy: 2.425459257113712
Energy: 2.1012624029143643
Energy: 2.816763890396732
Energy: 2.322832604740127
Energy: 2.335340375143972
Energy: 2.322832604737139
Energy: 2.816763890395736
Energy: 2.322832604738135
Energy: 2.116775676742033
Energy: 2.1607907364875616
Energy: 2.3295542415988852
Energy: 2.1607907364885577
Energy: 2.116775676741037
Energy: 2.1607907364875616
Energy: 2.1637831482815253
Energy: 2.2284347569683494
Energy: 2.310598605910979
Energy: 2.2284347569673533
Energy: 2.163783148280529
Energy: 2.2284347569683494
Energy: 2.401861679103843
Energy: 2.289867248205675
Energy: 2.2808112091250194
Energy: 2.289867248205675
Energy: 2.4018616791067857
Energy: 2.289867248205675
Energy: 2.3168674317826556
Energy: 2.162336898893234
Energy: 2.408807010922893
Energy: 2.162336898893234
Energy: 2.3168674317826556
Energy: 2.162336898893234
Energy: 2.540222380604776
Energy: 2.1769113593900604
Energy: 2.1149054403077363
Energy: 2.1769113593900604
Energy: 2.540222380604776
Energy: 2.1769113593900604
Energy: 2.342052749043847
Energy: 2.2274792987531944
Energy: 2.4212542325462323
Energy: 2.2274792987521983
Energy: 2.342052749043847
Energy: 2.2274792987531944
Energy: 2.1924216943112116
Energy: 2.2463976343189516
Energy: 2.46227074880998
Energy: 2.246397634317955
Energy: 2.1924216943112116
Energy: 2.246397634317955

minimum gb energy = 2.0900745656426163 eV
minimum distance =  2.44092644419769 Angstroms
sigma value = 33


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

Energy: 2.7797760837959085
Energy: 2.3357531145017205
Energy: 2.144462616730469
Energy: 2.3357531145022867
Energy: 2.7797760837913765
Energy: 2.3357531145017205
Energy: 2.436155594865002
Energy: 2.2426769377968
Energy: 2.537125067004477
Energy: 2.2426769377968
Energy: 2.436155594865002
Energy: 2.242676937797367
Energy: 2.1310280680527756
Energy: 2.409935608613215
Energy: 2.5335307692088977
Energy: 2.4099356086143477
Energy: 2.1310280680505094
Energy: 2.409935608612648
Energy: 2.2838972483943882
Energy: 2.3157944913098265
Energy: 2.55294353899433
Energy: 2.3157944913098265
Energy: 2.2838972483960878
Energy: 2.31579449130926
Energy: 2.265629542077352
Energy: 2.287542069726504
Energy: 2.4582222496580473
Energy: 2.2875420697259377
Energy: 2.2656295420807515
Energy: 2.287542069726504
Energy: 2.393996805779097
Energy: 2.26336808286959
Energy: 2.2666803658091466
Energy: 2.263368082870157
Energy: 2.3939968057875944
Energy: 2.263368082870723
Energy: 2.3961061436594573
Energy: 2.2715329259245913
Energy: 2.3282286359647233
Energy: 2.271532925925724
Energy: 2.396106143657758
Energy: 2.271532925925724
Energy: 2.112670923995195
Energy: 2.268868263076212
Energy: 2.621220370694903
Energy: 2.2688682630756456
Energy: 2.112670923998028
Energy: 2.2688682630750794
Energy: 2.3397939964215073
Energy: 2.238416400785224
Energy: 2.4002186519423914
Energy: 2.2384164007863574
Energy: 2.339793996419808
Energy: 2.238416400784091
Energy: 2.28939845097204
Energy: 2.3892606457469268
Energy: 2.2623142855880993
Energy: 2.38926064574636
Energy: 2.28939845097204
Energy: 2.38926064574636
Energy: 2.370454537218723
Energy: 2.244825360160712
Energy: 2.5788481516354076
Energy: 2.2448253601612786
Energy: 2.3704545372181567
Energy: 2.2448253601612786
Energy: 2.5350369098893113
Energy: 2.2709872641786193
Energy: 2.2771467971998
Energy: 2.270987264179186
Energy: 2.535036909888745
Energy: 2.2709872641797526
Energy: 2.598801525224763
Energy: 2.276963073422881
Energy: 2.4670703293675413
Energy: 2.276963073422881
Energy: 2.598801525224763
Energy: 2.276963073424014
Energy: 2.349993586011
Energy: 2.327039713678089
Energy: 2.6565647726714663
Energy: 2.327039713677522
Energy: 2.3499935860104335
Energy: 2.327039713678089
Energy: 2.5341664263214807
Energy: 2.2753838259831065
Energy: 2.5232906436799927
Energy: 2.2753838259825407
Energy: 2.5341664263209136
Energy: 2.2753838259819736
Energy: 2.531355194143048
Energy: 2.2973676131481278
Energy: 2.2552901814996362
Energy: 2.2973676131481278
Energy: 2.531355194143615
Energy: 2.2973676131481278
Energy: 2.5256039185238173
Energy: 2.2691088346066133
Energy: 2.2624887014091124
Energy: 2.26910883460718
Energy: 2.5256039185260835
Energy: 2.26910883460718
Energy: 2.5371687482836602
Energy: 2.2671836370886513
Energy: 2.577666274304776
Energy: 2.267183637089218
Energy: 2.5371687482825274
Energy: 2.2671836370886513
Energy: 2.1500529933239254
Energy: 2.267029019529876
Energy: 2.625605568184495
Energy: 2.2670290195304426
Energy: 2.1500529933239254
Energy: 2.2670290195304426
Energy: 2.4050313304679984
Energy: 2.2302449640868867
Energy: 2.3973689559937994
Energy: 2.23024496408632
Energy: 2.4050313304685655
Energy: 2.23024496408802
Energy: 2.5767099697825278
Energy: 2.3405829536929925
Energy: 2.156295034465912
Energy: 2.3405829536929925
Energy: 2.5767099697825278
Energy: 2.3405829536929925
Energy: 2.365597639242358
Energy: 2.2451187149851886
Energy: 2.554598214371181
Energy: 2.2451187149857557
Energy: 2.365597639242358
Energy: 2.245118714984623
Energy: 2.2628112837309318
Energy: 2.2867540217616584
Energy: 2.457900815610032
Energy: 2.286754021762225
Energy: 2.2628112837309318
Energy: 2.2867540217616584
Energy: 2.5920168899189155
Energy: 2.2603374568896957
Energy: 2.4523992890728152
Energy: 2.2603374568896957
Energy: 2.5920168899189155
Energy: 2.260337456889129
Energy: 2.274358198803426
Energy: 2.276364600398705
Energy: 2.5344656453643464
Energy: 2.2763646003981384
Energy: 2.2743581988073918
Energy: 2.276364600398705
Energy: 2.6272318103842793
Energy: 2.326156258550143
Energy: 2.2916837007641155
Energy: 2.326156258549577
Energy: 2.62723181038258
Energy: 2.326156258550143
Energy: 2.6270850587874084
Energy: 2.3209380218907674
Energy: 2.327395528857382
Energy: 2.3209380218913336
Energy: 2.627085058784009
Energy: 2.3209380218902003
Energy: 2.274729219521992
Energy: 2.2739852546819987
Energy: 2.5343686990939234
Energy: 2.2739852546814325
Energy: 2.2747292195208586
Energy: 2.2739852546819987
Energy: 2.5676822280359453
Energy: 2.260896014883967
Energy: 2.452678714851897
Energy: 2.2608960148834005
Energy: 2.5676822280370786
Energy: 2.260896014884534
Energy: 2.2624648401892453
Energy: 2.2869614712847826
Energy: 2.523103068617258
Energy: 2.2869614712847826
Energy: 2.2624648401892453
Energy: 2.2869614712847826
Energy: 2.365575607562325
Energy: 2.245118714984623
Energy: 2.5545383293408266
Energy: 2.2451187149834895
Energy: 2.365575607561759
Energy: 2.245118714984623
Energy: 2.5764666598903814
Energy: 2.3404729065752248
Energy: 2.1566277990134135
Energy: 2.3404729065752248
Energy: 2.576466659890948
Energy: 2.3404729065752248
Energy: 2.405579987307101
Energy: 2.230157853350396
Energy: 2.400260469038964
Energy: 2.230157853350396
Energy: 2.405579987308234
Energy: 2.2301578533498287
Energy: 2.14477504318108
Energy: 2.266370427885478
Energy: 2.7456468055563468
Energy: 2.266370427885478
Energy: 2.1447750431805135
Energy: 2.2663704278866112
Energy: 2.5369436528993834
Energy: 2.2600635235229283
Energy: 2.5416025996245284
Energy: 2.2600635235240616
Energy: 2.5369436528971168
Energy: 2.260063523522362
Energy: 2.527038899899792
Energy: 2.2690601994100157
Energy: 2.262154365475575
Energy: 2.269060199410582
Energy: 2.527038899900359
Energy: 2.2690601994111486
Energy: 2.5319742195699595
Energy: 2.291507580721657
Energy: 2.2990735644144045
Energy: 2.291507580721091
Energy: 2.5319742195710924
Energy: 2.291507580722224
Energy: 2.533445378088295
Energy: 2.2787821443177045
Energy: 2.5224853131094203
Energy: 2.2787821443194036
Energy: 2.5334453780865953
Energy: 2.2787821443177045
Energy: 2.3499474101895292
Energy: 2.3268692636056945
Energy: 2.6571554244927476
Energy: 2.3268692636051282
Energy: 2.3499474101900955
Energy: 2.3268692636056945
Energy: 2.596947158912211
Energy: 2.277596462713189
Energy: 2.451297778120707
Energy: 2.2775964627154552
Energy: 2.5969471589116453
Energy: 2.2775964627148886
Energy: 2.53483563808774
Energy: 2.2691992792213083
Energy: 2.2772372209380536
Energy: 2.2691992792201754
Energy: 2.53483563808774
Energy: 2.2691992792224416

minimum gb energy = 2.112670923995195 eV
minimum distance =  2.42138281193295 Angstroms
sigma value = 51


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

Energy: 2.653037078329427
Energy: 2.5835818405114814
Energy: 2.2773098057413783
Energy: 2.5835818405114814
Energy: 2.653037078326802
Energy: 2.5835818405114814
Energy: 2.3763878903148172
Energy: 2.53575848467234
Energy: 2.835720926474255
Energy: 2.53575848467234
Energy: 2.3763878903174422
Energy: 2.5357584846736527
Energy: 2.111052616739744
Energy: 2.5894792480652433
Energy: 2.6777530636838978
Energy: 2.589479248063931
Energy: 2.111052616739744
Energy: 2.589479248062618
Energy: 2.18382020435832
Energy: 2.2741473845343143
Energy: 2.7429756989758416
Energy: 2.2741473845343143
Energy: 2.18382020435832
Energy: 2.2741473845343143
Energy: 2.0906173493556643
Energy: 2.2787400698098006
Energy: 2.6789033861893836
Energy: 2.2787400698098006
Energy: 2.090617349356977
Energy: 2.278740069811113
Energy: 2.6544890931408736
Energy: 2.2527428514714427
Energy: 2.7843338256148167
Energy: 2.2527428514727554
Energy: 2.6544890931395613
Energy: 2.2527428514727554
Energy: 2.6744540594474753
Energy: 2.2522493265609174
Energy: 2.798518609211325
Energy: 2.2522493265609174
Energy: 2.6744540594461625
Energy: 2.2522493265609174
Energy: 2.090493018270941
Energy: 2.252467197619742
Energy: 2.1694370533303213
Energy: 2.252467197619742
Energy: 2.0904930182735666
Energy: 2.25246719761843
Energy: 2.6873062881185645
Energy: 2.315245345168378
Energy: 2.3066603603701052
Energy: 2.315245345168378
Energy: 2.6873062881185645
Energy: 2.315245345168378
Energy: 2.0910038528732566
Energy: 2.4555015020932185
Energy: 2.1693942650144913
Energy: 2.4555015020932185
Energy: 2.091003852870631
Energy: 2.4555015020932185
Energy: 2.688239172942796
Energy: 2.252128787418067
Energy: 2.809325636459581
Energy: 2.252128787418067
Energy: 2.688239172942796
Energy: 2.252128787418067
Energy: 2.6470014210044894
Energy: 2.4541305054140694
Energy: 2.7315791329114907
Energy: 2.454130505415382
Energy: 2.6470014210044894
Energy: 2.4541305054140694
Energy: 2.478412217522084
Energy: 2.2749581795969327
Energy: 2.7436439891570132
Energy: 2.274958179589057
Energy: 2.4784122175260217
Energy: 2.2749581796205596
Energy: 2.1121214132793975
Energy: 2.4540488482618885
Energy: 2.679424583685714
Energy: 2.4540488482632017
Energy: 2.1121214132754598
Energy: 2.4540488482632017
Energy: 2.1847613030161455
Energy: 2.4550748821278767
Energy: 2.7159070635795906
Energy: 2.455074882126564
Energy: 2.1847613030161455
Energy: 2.455074882126564
Energy: 2.0909630187486403
Energy: 2.2920317683079006
Energy: 2.715762276437334
Energy: 2.2920317683092133
Energy: 2.090963018747328
Energy: 2.2920317683092133
Energy: 2.655948578157229
Energy: 2.381454364955505
Energy: 2.7879241516088547
Energy: 2.381454364955505
Energy: 2.655948578157229
Energy: 2.381454364955505
Energy: 2.6740315466357214
Energy: 2.251556628279596
Energy: 2.8093712780225606
Energy: 2.251556628279596
Energy: 2.674031546639659
Energy: 2.251556628279596

minimum gb energy = 2.090493018270941 eV
minimum distance =  2.39817651325109 Angstroms
sigma value = 19


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

Energy: 2.7682650484254556
Energy: 2.5087620418656167
Energy: 2.3638938758197834
Energy: 2.5087620418656167
Energy: 2.7682650484254556
Energy: 2.5087620418656167
Energy: 2.435619578777495
Energy: 2.6487505194225527
Energy: 2.4578716364820323
Energy: 2.6487505194225527
Energy: 2.435619578777495
Energy: 2.6487505194225527
Energy: 2.2825010752125157
Energy: 2.5652797798526237
Energy: 2.457746757287304
Energy: 2.5652797798526237
Energy: 2.2825010752125157
Energy: 2.5652797798526237
Energy: 2.4239138727457763
Energy: 2.436391985503615
Energy: 2.745508850454158
Energy: 2.436391985504359
Energy: 2.4239138727457763
Energy: 2.4363919855005016
Energy: 2.2546947790569956
Energy: 2.541904410580919
Energy: 2.7100568793792297
Energy: 2.541904410580919
Energy: 2.254694779057774
Energy: 2.5419044105816977
Energy: 2.8163342571993932
Energy: 2.5417532661394793
Energy: 2.2550863325177706
Energy: 2.5417532661394793
Energy: 2.8163342571993932
Energy: 2.541753266140258
Energy: 2.745337151232628
Energy: 2.4375314052328414
Energy: 2.3445065488502874
Energy: 2.4375314052351773
Energy: 2.745337151232628
Energy: 2.4375314052343993
Energy: 2.457707621753114
Energy: 2.564979217663982
Energy: 2.2824142787959767
Energy: 2.564979217663982
Energy: 2.4577076217523355
Energy: 2.564979217663982
Energy: 2.457866806007852
Energy: 2.648985945694775
Energy: 2.4357834202478417
Energy: 2.648985945694775
Energy: 2.4578668060086306
Energy: 2.648985945693996
Energy: 2.3638938758197834
Energy: 2.508762041866395
Energy: 2.7682650484254556
Energy: 2.508762041866395
Energy: 2.363893875819005
Energy: 2.508762041866395
Energy: 2.4578716364851467
Energy: 2.6487505194217746
Energy: 2.4356195787782733
Energy: 2.6487505194225527
Energy: 2.4578716364851467
Energy: 2.6487505194217746
Energy: 2.457746757287304
Energy: 2.5652797798526237
Energy: 2.2825010752117367
Energy: 2.5652797798526237
Energy: 2.457746757287304
Energy: 2.5652797798526237
Energy: 2.745508850454158
Energy: 2.436391985504359
Energy: 2.5052661491602013
Energy: 2.436391985504359
Energy: 2.745508850454158
Energy: 2.436391985504359
Energy: 2.626614718604004
Energy: 2.5419044105801403
Energy: 2.25469477905466
Energy: 2.5419044105801403
Energy: 2.6266147186032254
Energy: 2.5419044105801403
Energy: 2.2550863325193276
Energy: 2.541753266140258
Energy: 2.8163342571993932
Energy: 2.541753266140258
Energy: 2.255086332516992
Energy: 2.541753266140258
Energy: 2.344506548849509
Energy: 2.4375314052343993
Energy: 2.745337151232628
Energy: 2.4375314052343993
Energy: 2.344506548849509
Energy: 2.4375314052343993
Energy: 2.2824142787959767
Energy: 2.564979217663982
Energy: 2.4577076217523355
Energy: 2.564979217663982
Energy: 2.2824142787959767
Energy: 2.564979217663982
Energy: 2.4357834202470627
Energy: 2.648985945692439
Energy: 2.457866806007852
Energy: 2.648985945693218
Energy: 2.4357834202478417
Energy: 2.648985945693218
Energy: 2.768265048424677
Energy: 2.508762041866395
Energy: 2.3812622752621357
Energy: 2.508762041866395
Energy: 2.7682650484254556
Energy: 2.5087620418656167
Energy: 2.435619578777495
Energy: 2.6487505194217746
Energy: 2.457871636482811
Energy: 2.6487505194217746
Energy: 2.435619578777495
Energy: 2.6487505194225527
Energy: 2.2825010752125157
Energy: 2.5652797798526237
Energy: 2.457746757288083
Energy: 2.5652797798518456
Energy: 2.2825010752125157
Energy: 2.5652797798526237
Energy: 2.5052661491609802
Energy: 2.436391985504359
Energy: 2.745508850454158
Energy: 2.436391985503615
Energy: 2.5052661491609802
Energy: 2.4363919855051375
Energy: 2.2546947790569956
Energy: 2.541904410579362
Energy: 2.626614718604004
Energy: 2.5419044105801403
Energy: 2.2546947790569956
Energy: 2.541904410579362
Energy: 2.8163342571993932
Energy: 2.5417532661410362
Energy: 2.255086332520106
Energy: 2.5417532661410362
Energy: 2.8163342571993932
Energy: 2.541753266140258
Energy: 2.745337151232628
Energy: 2.4375314052343993
Energy: 2.344506548849509
Energy: 2.437531405235956
Energy: 2.745337151231849
Energy: 2.4375314052343993
Energy: 2.4577076217538925
Energy: 2.564979217663982
Energy: 2.2824142787951978
Energy: 2.564979217663982
Energy: 2.457707621754671
Energy: 2.564979217663982
Energy: 2.457866806007852
Energy: 2.648985945695554
Energy: 2.435783420246284
Energy: 2.648985945695554
Energy: 2.457866806007852
Energy: 2.648985945694775
Energy: 2.3994805131765036
Energy: 2.5087620418656167
Energy: 2.7682650484254556
Energy: 2.5087620418648378
Energy: 2.3994805131765036
Energy: 2.5087620418648378
Energy: 2.4578716364851467
Energy: 2.6487505194217746
Energy: 2.4356195787782733
Energy: 2.6487505194217746
Energy: 2.457871636483589
Energy: 2.6487505194225527
Energy: 2.457746757286526
Energy: 2.5652797798526237
Energy: 2.2825010752125157
Energy: 2.5652797798526237
Energy: 2.457746757287304
Energy: 2.5652797798526237

minimum gb energy = 2.25469477905466 eV
minimum distance =  2.34455463862396 Angstroms
sigma value = 27


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

Energy: 2.248471401863351
Energy: 2.3087589312470276
Energy: 2.5894223608168945
Energy: 2.3087589312470276
Energy: 2.248471401863351
Energy: 2.3087589312470276
Energy: 2.282191558649001
Energy: 2.30835329908418
Energy: 2.161178584614774
Energy: 2.30835329908418
Energy: 2.282191558649001
Energy: 2.30835329908418
Energy: 2.2032579547998874
Energy: 2.715300457860253
Energy: 2.1590415480059115
Energy: 2.7153004578583455
Energy: 2.2032579547998874
Energy: 2.7153004578621602
Energy: 2.5389540794963046
Energy: 2.3068963118343953
Energy: 2.2670653997921453
Energy: 2.3068963118343953
Energy: 2.5389540794963046
Energy: 2.3068963118343953
Energy: 2.82233465625858
Energy: 2.3084932219681904
Energy: 2.370639804948203
Energy: 2.3084932219681904
Energy: 2.8223346562566727
Energy: 2.3084932219681904
Energy: 2.2689226498967985
Energy: 2.713875052255429
Energy: 2.159632120357865
Energy: 2.713875052253522
Energy: 2.2689226498967985
Energy: 2.713875052253522
Energy: 2.3326660914579143
Energy: 2.389830927261403
Energy: 2.2692608461441894
Energy: 2.389830927261403
Energy: 2.3326660914560073
Energy: 2.389830927261403
Energy: 2.2486098118859505
Energy: 2.3669404652453823
Energy: 2.5094572453153208
Energy: 2.3669404652453823
Energy: 2.2486098118859505
Energy: 2.3669404652453823
Energy: 2.6005742033672785
Energy: 2.4978522880883576
Energy: 2.394733373181773
Energy: 2.4978522880883576
Energy: 2.6005742033653716
Energy: 2.4978522880883576
Energy: 2.2682866040357608
Energy: 2.879932787563104
Energy: 2.2682642213863753
Energy: 2.8799327875611964
Energy: 2.2682866040357608
Energy: 2.879932787563104
Energy: 2.4043799058488786
Energy: 2.4939054323111742
Energy: 2.6005374896942817
Energy: 2.4939054323111742
Energy: 2.4043799058488786
Energy: 2.4939054323111742
Energy: 2.5061491254432586
Energy: 2.3672573714178338
Energy: 2.249104396130903
Energy: 2.3672573714178338
Energy: 2.5061491254413513
Energy: 2.3672573714178338

minimum gb energy = 2.1590415480059115 eV
minimum distance =  2.38814652546155 Angstroms
sigma value = 9


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

Energy: 2.7478090544717544
Energy: 2.6366529462489297
Energy: 2.3747674637354392
Energy: 2.636652946248394
Energy: 2.7478090544717544
Energy: 2.6366529462489297
Energy: 2.456199326585023
Energy: 2.5802961360289505
Energy: 2.48039304148241
Energy: 2.580296136030022
Energy: 2.456199326585023
Energy: 2.580296136029486
Energy: 2.3838284273435852
Energy: 2.6875436631456124
Energy: 2.4054103564229417
Energy: 2.6875436631456124
Energy: 2.3838284273430497
Energy: 2.6875436631456124
Energy: 2.450995660339098
Energy: 2.681684502715631
Energy: 2.4717933503305147
Energy: 2.681684502715631
Energy: 2.45099566034017
Energy: 2.6816845027161667
Energy: 2.3688969035545506
Energy: 2.6857981561516824
Energy: 2.5818438719463894
Energy: 2.6857981561516824
Energy: 2.3688969035540155
Energy: 2.6857981561516824
Energy: 2.3386861972401745
Energy: 2.6177182742186833
Energy: 2.5832614380291834
Energy: 2.6177182742186833
Energy: 2.3386861972401745
Energy: 2.6177182742186833
Energy: 2.3820843170144363
Energy: 2.645035077725768
Energy: 2.5430434385289202
Energy: 2.645035077725232
Energy: 2.3820843170122927
Energy: 2.645035077725768
Energy: 2.545823802994962
Energy: 2.5999356730465295
Energy: 2.397824628740067
Energy: 2.599935673047066
Energy: 2.5458238029944256
Energy: 2.599935673047066
Energy: 2.4787468432928743
Energy: 2.553550168334435
Energy: 2.473639245036529
Energy: 2.553550168334435
Energy: 2.4787468432928743
Energy: 2.5535501683355064
Energy: 2.5926499470427298
Energy: 2.717984913423675
Energy: 2.3588311415466467
Energy: 2.717984913423675
Energy: 2.5926499470427298
Energy: 2.717984913423675
Energy: 2.358762762317121
Energy: 2.6203566410111354
Energy: 2.408109016553036
Energy: 2.620356641011672
Energy: 2.358762762312834
Energy: 2.620356641011672
Energy: 2.39121524151402
Energy: 2.6436934419802403
Energy: 2.4050695440216034
Energy: 2.6436934419807763
Energy: 2.3912152415134846
Energy: 2.6436934419802403
Energy: 2.369268354783866
Energy: 2.680491916721301
Energy: 2.645519218723302
Energy: 2.680491916720765
Energy: 2.3692683547822586
Energy: 2.680491916722909
Energy: 2.5560467629569095
Energy: 2.714171438625026
Energy: 2.712553567385415
Energy: 2.714171438623954
Energy: 2.556046762957446
Energy: 2.71417143862449
Energy: 2.395096434019937
Energy: 2.617146877902631
Energy: 2.4751087600757558
Energy: 2.6171468779037026
Energy: 2.395096434019937
Energy: 2.617146877902631
Energy: 2.494235189743679
Energy: 2.6190025567092188
Energy: 2.405362927302699
Energy: 2.6190025567102904
Energy: 2.494235189743143
Energy: 2.6190025567092188
Energy: 2.5772736303341293
Energy: 2.6403602244485223
Energy: 2.3624901074963285
Energy: 2.6403602244506654
Energy: 2.577273630333593
Energy: 2.640360224449058
Energy: 2.5669144152883754
Energy: 2.598784262278951
Energy: 2.407528726663205
Energy: 2.598784262278415
Energy: 2.5669144152883754
Energy: 2.598784262279487
Energy: 2.537081971046362
Energy: 2.693560679456267
Energy: 2.3545816605101733
Energy: 2.693560679455731
Energy: 2.5370819710474337
Energy: 2.693560679454659
Energy: 2.473173695596291
Energy: 2.7016835704727793
Energy: 2.472818450754099
Energy: 2.7016835704727793
Energy: 2.4731736955946837
Energy: 2.7016835704722437
Energy: 2.354672152005176
Energy: 2.6934648397994874
Energy: 2.537448464722335
Energy: 2.6934648397994874
Energy: 2.3546721520062475
Energy: 2.693464839798952
Energy: 2.4072519471571803
Energy: 2.5989725175527774
Energy: 2.5670168621645324
Energy: 2.598972517553849
Energy: 2.4072519471582523
Energy: 2.5989725175533125
Energy: 2.362722314630369
Energy: 2.6408965450240314
Energy: 2.5774072142902167
Energy: 2.6408965450240314
Energy: 2.362722314628226
Energy: 2.6408965450240314
Energy: 2.4047680817518255
Energy: 2.619242575830933
Energy: 2.475162778805477
Energy: 2.619242575830397
Energy: 2.4047680817513384
Energy: 2.619242575830397
Energy: 2.4752839626095255
Energy: 2.619773164210506
Energy: 2.395437308357811
Energy: 2.619773164211042
Energy: 2.4752839626089895
Energy: 2.61977316420997
Energy: 2.712571140026938
Energy: 2.7211448616916214
Energy: 2.5558985472250955
Energy: 2.7211448616916214
Energy: 2.71257114002533
Energy: 2.7211448616921574
Energy: 2.6450620598334686
Energy: 2.6798183366055977
Energy: 2.372483260163706
Energy: 2.6798183366045256
Energy: 2.6450620598356114
Energy: 2.6798183366055977
Energy: 2.403477899262044
Energy: 2.6393325005190564
Energy: 2.3770363115702526
Energy: 2.6393325005195925
Energy: 2.4034778992615085
Energy: 2.6393325005190564
Energy: 2.4088245185872914
Energy: 2.621008793360581
Energy: 2.359822179832033
Energy: 2.621008793360581
Energy: 2.408824518589435
Energy: 2.621008793360045
Energy: 2.3590061318031545
Energy: 2.7178229343310036
Energy: 2.592692725152558
Energy: 2.7178229343310036
Energy: 2.359006131803691
Energy: 2.7178229343315388
Energy: 2.472784176869929
Energy: 2.5535501683355064
Energy: 2.472783235037594
Energy: 2.5535501683349704
Energy: 2.4727841768704653
Energy: 2.5535501683349704
Energy: 2.397801049024627
Energy: 2.60026456317826
Energy: 2.546062426604012
Energy: 2.600264563177724
Energy: 2.3978010490251633
Energy: 2.600264563177724
Energy: 2.542994532380019
Energy: 2.652880194655238
Energy: 2.3820106127254395
Energy: 2.6528801946563094
Energy: 2.5429945323794834
Energy: 2.652880194655774
Energy: 2.5833978216782203
Energy: 2.6105359479630414
Energy: 2.3382211718441086
Energy: 2.6105359479678643
Energy: 2.5833978216771487
Energy: 2.610535947953396
Energy: 2.58210207632182
Energy: 2.6860559156754094
Energy: 2.3688803422544478
Energy: 2.686055915674873
Energy: 2.582102076321284
Energy: 2.686055915674873
Energy: 2.4732258081636918
Energy: 2.681433831873897
Energy: 2.4510276858863342
Energy: 2.6814338318728255
Energy: 2.4732258387262096
Energy: 2.6814338318733615
Energy: 2.4052872825206375
Energy: 2.6854815149758244
Energy: 2.3835655078390023
Energy: 2.68548151497636
Energy: 2.4052872825206375
Energy: 2.68548151497636
Energy: 2.4803774315877334
Energy: 2.580296136030558
Energy: 2.4562381896448393
Energy: 2.5802961360310936
Energy: 2.4803774315877334
Energy: 2.580296136030022
Energy: 2.3747674637359752
Energy: 2.6366529462489297
Energy: 2.7478090544722904
Energy: 2.6366529462489297
Energy: 2.3747674637349037
Energy: 2.6366529462494652
Energy: 2.480393041481874
Energy: 2.5802961360289505
Energy: 2.456199326583415
Energy: 2.580296136030558
Energy: 2.480393041481874
Energy: 2.5802961360289505
Energy: 2.4054103564234777
Energy: 2.6875436631456124
Energy: 2.3838284273430497
Energy: 2.6875436631456124
Energy: 2.4054103564234777
Energy: 2.6875436631456124
Energy: 2.471793350136092
Energy: 2.6816845027150946
Energy: 2.450995660339634
Energy: 2.6816845027161667
Energy: 2.4717933515276447
Energy: 2.681684502715631
Energy: 2.5818438719490686
Energy: 2.6857981561516824
Energy: 2.3688969035545506
Energy: 2.6857981561516824
Energy: 2.5818438719335286
Energy: 2.685798156152218

minimum gb energy = 2.3382211718441086 eV
minimum distance =  2.33328621452939 Angstroms
sigma value = 57


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

Energy: 2.2970395113407545
Energy: 2.3182846846312395
Energy: 2.3141164584828675
Energy: 2.318284824709147
Energy: 2.297039511341975
Energy: 2.318284839362516
Energy: 2.4363088535509645
Energy: 2.535721638759081
Energy: 2.2725177144694073
Energy: 2.535721638756641
Energy: 2.4363088535509645
Energy: 2.535721638756641
Energy: 2.219114490050174
Energy: 2.503900567482541
Energy: 2.1913882505181213
Energy: 2.5039005674849246
Energy: 2.219114490050174
Energy: 2.5039005674861445
Energy: 2.1970134478954164
Energy: 2.3587628959212106
Energy: 2.3462578739844
Energy: 2.3587628959248703
Energy: 2.1970134478966363
Energy: 2.3587628959163314
Energy: 2.2003706848145277
Energy: 2.6103392902204687
Energy: 2.3268760219884417
Energy: 2.6103392902216886
Energy: 2.2003706848145277
Energy: 2.610339290219249
Energy: 2.4424963492424117
Energy: 2.5291575780058717
Energy: 2.28827595829155
Energy: 2.529157578000993
Energy: 2.4424963492424117
Energy: 2.529157578000993
Energy: 2.442428741152658
Energy: 2.5297532029496703
Energy: 2.2882260981101363
Energy: 2.5297532029484513
Energy: 2.442428741152658
Energy: 2.5297532029521106
Energy: 2.200425253663072
Energy: 2.6106870010960046
Energy: 2.346219941009754
Energy: 2.6106870010960046
Energy: 2.200425253663072
Energy: 2.6106870010972245
Energy: 2.1967477146684593
Energy: 2.3592069645767473
Energy: 2.329066959320993
Energy: 2.359206964577967
Energy: 2.1967477146684593
Energy: 2.359206964577967
Energy: 2.219127776410665
Energy: 2.503640248872124
Energy: 2.191363223171485
Energy: 2.503640248870904
Energy: 2.219127776410665
Energy: 2.5036402488696847
Energy: 2.435969585430245
Energy: 2.535721638756641
Energy: 2.237866410805611
Energy: 2.535721638759081
Energy: 2.435969585431465
Energy: 2.535721638755421
Energy: 2.297039511341975
Energy: 2.318284818734644
Energy: 2.373680167535519
Energy: 2.3182848400673004
Energy: 2.297039511341975
Energy: 2.318284811383563
Energy: 2.4363088535509645
Energy: 2.535721638757861
Energy: 2.1659263778458886
Energy: 2.535721638757861
Energy: 2.4363088535509645
Energy: 2.535721638757861
Energy: 2.219114490048955
Energy: 2.5039005674861445
Energy: 2.191388249877988
Energy: 2.5039005674849246
Energy: 2.219114490050174
Energy: 2.5039005674849246
Energy: 2.1970134478966363
Energy: 2.3587628959212106
Energy: 2.3462578739844
Energy: 2.358762895922431
Energy: 2.1970134478966363
Energy: 2.3587628959175513
Energy: 2.2003706848145277
Energy: 2.6103392902216886
Energy: 2.2333095259388633
Energy: 2.6103392902204687
Energy: 2.2003706848145277
Energy: 2.6103392902216886
Energy: 2.4424963492411917
Energy: 2.529157578010751
Energy: 2.28827595829155
Energy: 2.5291575780156306
Energy: 2.4424963492424117
Energy: 2.5291575780095314
Energy: 2.442428741151439
Energy: 2.5297532029484513
Energy: 2.2882260981089164
Energy: 2.5297532029508902
Energy: 2.442428741151439
Energy: 2.5297532029484513
Energy: 2.2004252536642923
Energy: 2.6106870010960046
Energy: 2.346219941009754
Energy: 2.6106870010947847
Energy: 2.2004252536642923
Energy: 2.6106870010960046

minimum gb energy = 2.1659263778458886 eV
minimum distance =  2.35715811159205 Angstroms
sigma value = 11


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

Energy: 2.1201757435115134
Energy: 2.5529649847170295
Energy: 2.223266325990017
Energy: 2.5529649847161355
Energy: 2.1201757435115134
Energy: 2.5529649847161355
Energy: 2.5345658882908597
Energy: 2.3016164771928924
Energy: 1.981287065818851
Energy: 2.3016164771964664
Energy: 2.534565888289966
Energy: 2.301616477200934
Energy: 2.0415409638594264
Energy: 2.1579206598582603
Energy: 2.0924346418782798
Energy: 2.1579206598582603
Energy: 2.0415409638594264
Energy: 2.157920659857367
Energy: 2.281792717953361
Energy: 2.24000348795177
Energy: 2.0587082442781535
Energy: 2.240003487927644
Energy: 2.281792717948893
Energy: 2.2400034880669564
Energy: 2.023849497710452
Energy: 2.465810059440972
Energy: 2.1067968513611945
Energy: 2.465810059440972
Energy: 2.023849497710452
Energy: 2.465810059441865
Energy: 1.9669676844557427
Energy: 2.42659716391064
Energy: 2.0005384446117502
Energy: 2.426597163909747
Energy: 1.9669676844557427
Energy: 2.426597163908853
Energy: 1.9620618962644196
Energy: 2.243857765685978
Energy: 1.9980056379440776
Energy: 2.24385776568151
Energy: 1.9620618962653134
Energy: 2.243857765686871
Energy: 2.553500655297435
Energy: 2.4824740189693006
Energy: 2.037226311423044
Energy: 2.482474018970194
Energy: 2.5535006552965416
Energy: 2.4824740189693006
Energy: 2.557902683315505
Energy: 2.4810747600552334
Energy: 2.547289696062687
Energy: 2.4810747600552334
Energy: 2.5579026833146123
Energy: 2.4810747600552334
Energy: 1.9679834910074647
Energy: 2.2014278584861184
Energy: 2.000513104585803
Energy: 2.2014278584825444
Energy: 1.9679834910074647
Energy: 2.2014278584798634
Energy: 1.965228390328765
Energy: 2.4161567356287845
Energy: 1.9985611377448076
Energy: 2.4161567356296776
Energy: 1.965228390328765
Energy: 2.416156735630571
Energy: 2.0193820898069172
Energy: 2.465528254282677
Energy: 2.0470894595972156
Energy: 2.465528254282677
Energy: 2.0193820898069172
Energy: 2.465528254282677
Energy: 2.548664006417885
Energy: 2.197473609239805
Energy: 2.0609674987925133
Energy: 2.1974736148210767
Energy: 2.548664006418778
Energy: 2.1974736150238314
Energy: 2.029192364040663
Energy: 2.204902875075219
Energy: 2.0937720503157866
Energy: 2.204902875072538
Energy: 2.029192364040663
Energy: 2.2049028750716446
Energy: 2.5332335153749357
Energy: 2.3283780651941535
Energy: 1.9772472543685204
Energy: 2.3283780651709214
Energy: 2.533233515375829
Energy: 2.3283780651047987
Energy: 2.122169727936258
Energy: 2.5514813489911576
Energy: 2.352930781842714
Energy: 2.5514813489920516
Energy: 2.122169727937152
Energy: 2.5514813489911576
Energy: 2.5239803087343637
Energy: 2.302453642732542
Energy: 2.047280118992348
Energy: 2.302453642722713
Energy: 2.5239803087361503
Energy: 2.302453642730755
Energy: 2.0304445494471444
Energy: 2.0941973568702816
Energy: 2.0937001288477246
Energy: 2.094197356863133
Energy: 2.0304445494480374
Energy: 2.094197356864027
Energy: 2.281152972707534
Energy: 2.2926707438776304
Energy: 2.070408207273226
Energy: 2.2926707438678013
Energy: 2.281152972706641
Energy: 2.292670743874056
Energy: 2.018923638735037
Energy: 2.4735836459581235
Energy: 2.0642921069150386
Energy: 2.4735836459581235
Energy: 2.018923638734144
Energy: 2.47358364595723
Energy: 2.0574304277754214
Energy: 2.4131889122096477
Energy: 2.0323504221894892
Energy: 2.4131889122096477
Energy: 2.057430427776315
Energy: 2.4131889122087538
Energy: 1.9643713924856394
Energy: 2.2945548565661307
Energy: 2.1506126849554645
Energy: 2.2945548565670246
Energy: 1.9643713924856394
Energy: 2.2945548565661307
Energy: 2.5628760165703524
Energy: 2.4589959743212795
Energy: 2.0377780710522373
Energy: 2.4589959743212795
Energy: 2.5628760165694593
Energy: 2.4589959743212795
Energy: 1.9915834272690485
Energy: 2.4526486262768232
Energy: 2.553913793134383
Energy: 2.452648626277717
Energy: 1.9915834272699422
Energy: 2.4526486262768232
Energy: 2.0161975741605698
Energy: 2.249694150580045
Energy: 2.0776334790029485
Energy: 2.2496941505782577
Energy: 2.0161975741605698
Energy: 2.2496941505791512
Energy: 1.970793104280344
Energy: 2.4524426233974403
Energy: 2.04690547602618
Energy: 2.4524426233974403
Energy: 1.970793104280344
Energy: 2.452442623398334

minimum gb energy = 1.9620618962644196 eV
minimum distance =  2.41686778095834 Angstroms
sigma value = 41


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

Energy: 2.485535145267419
Energy: 2.3493748300377395
Energy: 2.061566567577588
Energy: 2.3493748300377395
Energy: 2.485535145267419
Energy: 2.3493748300377395
Energy: 2.7465489745157114
Energy: 2.1387023557237748
Energy: 1.7909229158336026
Energy: 2.1387023557336344
Energy: 2.7465489745157114
Energy: 2.138702355632284
Energy: 1.8943226006979565
Energy: 2.3259024783525324
Energy: 1.9620476734081107
Energy: 2.3259024783518285
Energy: 1.8943226006979565
Energy: 2.325902478349011
Energy: 2.424518601118828
Energy: 2.0465584694745655
Energy: 1.825312016582429
Energy: 2.046558469478791
Energy: 2.4245186011181237
Energy: 2.04655846947034
Energy: 1.8688619086213454
Energy: 2.1408929254366535
Energy: 1.953488065853333
Energy: 2.1408929254324596
Energy: 1.8688619086206408
Energy: 2.1408929254317557
Energy: 2.2682721974408313
Energy: 2.2150808432508184
Energy: 1.784814002630677
Energy: 2.2150808432508184
Energy: 2.2682721974408313
Energy: 2.2150808432494093
Energy: 1.8239396760007331
Energy: 2.277326684751481
Energy: 1.7851799335518452
Energy: 2.2773266847500726
Energy: 1.823939676000029
Energy: 2.277326684751481
Energy: 2.35185591065303
Energy: 2.2519100545367032
Energy: 1.7971486575434195
Energy: 2.2519100545367032
Energy: 2.3518559106523256
Energy: 2.2519100545367032
Energy: 1.7905646337137922
Energy: 2.168089530662762
Energy: 2.2487830175176136
Energy: 2.168089530664171
Energy: 1.7905646337137922
Energy: 2.1680895306613537
Energy: 2.271112011000079
Energy: 2.234822996639525
Energy: 2.2956869107880666
Energy: 2.234822996639525
Energy: 2.271112011000783
Energy: 2.2348229966388207
Energy: 2.270840341701976
Energy: 2.2730022065697195
Energy: 2.4360594274603042
Energy: 2.2730022065697195
Energy: 2.270840341701271
Energy: 2.2730022065697195
Energy: 1.790617945116544
Energy: 2.2515769974324593
Energy: 1.7970123944525116
Energy: 2.2515769974324593
Energy: 1.790617945116544
Energy: 2.251576997433163
Energy: 1.79355270486112
Energy: 2.26479455379172
Energy: 2.1463744542324674
Energy: 2.2647945537924237
Energy: 1.79355270486112
Energy: 2.2647945537924237
Energy: 1.8259386935358486
Energy: 2.2287516490092885
Energy: 1.7847791553589756
Energy: 2.228751649005063
Energy: 1.8259386935372568
Energy: 2.228751649007176
Energy: 2.2648743941411267
Energy: 2.235137851303525
Energy: 1.7854075330742127
Energy: 2.2351378513042293
Energy: 2.2648743941411267
Energy: 2.235137851303525
Energy: 1.8390290372240616
Energy: 2.2744296277383995
Energy: 1.8921450366520758
Energy: 2.2744296277391047
Energy: 1.8390290372233573
Energy: 2.2744296277376956
Energy: 2.2296976348923003
Energy: 2.1827365249570594
Energy: 1.893145105784088
Energy: 2.1827365249570594
Energy: 2.2296976348923003
Energy: 2.1827365249570594
Energy: 1.8546997314650013
Energy: 2.213608955606667
Energy: 1.9617117039150698
Energy: 2.2136089556080756
Energy: 1.8546997314650013
Energy: 2.2136089556080756
Energy: 2.770703641932195
Energy: 2.1371703670407367
Energy: 1.7829657259040805
Energy: 2.137170367035807
Energy: 2.770703641932195
Energy: 2.1371703670372155
Energy: 2.4744100531933553
Energy: 2.279034526324312
Energy: 2.2567141822557835
Energy: 2.2790345263236076
Energy: 2.4744100531933553
Energy: 2.279034526324312
Energy: 2.662409326209637
Energy: 2.1739711216915296
Energy: 1.8841131056129259
Energy: 2.17397112169854
Energy: 2.662409326209637
Energy: 2.1739711216957227
Energy: 1.854609395282141
Energy: 2.244900663986386
Energy: 1.941261760080685
Energy: 2.244900663989203
Energy: 1.854609395282845
Energy: 2.2449006639870905
Energy: 2.422490883031257
Energy: 2.132708036222926
Energy: 1.7597314851328278
Energy: 2.1327080376786816
Energy: 2.422490883030553
Energy: 2.132708040286141
Energy: 1.8485572676770963
Energy: 2.215613066044901
Energy: 1.857551737977938
Energy: 2.215613066045605
Energy: 1.8485572676770963
Energy: 2.215613066045605
Energy: 2.037297449256626
Energy: 2.172324667687629
Energy: 1.8093055378080354
Energy: 2.172324667687629
Energy: 2.0372974492552176
Energy: 2.172324667688333
Energy: 1.8264788069494509
Energy: 2.110962292800557
Energy: 1.7843688534927022
Energy: 2.139460744713327
Energy: 1.8264788069494509
Energy: 2.1109622927991483
Energy: 2.3901591750158544
Energy: 2.252196027598506
Energy: 1.8237442497138214
Energy: 2.252196027598506
Energy: 2.3901591750158544
Energy: 2.252196027598506
Energy: 1.7905729749117645
Energy: 2.1920396750951228
Energy: 2.414721157093374
Energy: 2.192039675095827
Energy: 1.7905729749117645
Energy: 2.1920396750951228
Energy: 2.272233377364687
Energy: 2.2447377471683447
Energy: 2.2865297616275035
Energy: 2.244737747169753
Energy: 2.272233377364687
Energy: 2.2447377471690486
Energy: 1.7820355347352377
Energy: 2.1926112460042204
Energy: 2.4260791646632547
Energy: 2.2224560632530617
Energy: 1.7820355347359422
Energy: 2.192611246004925
Energy: 1.788635015205429
Energy: 2.251103837641722
Energy: 1.8282006914730462
Energy: 2.2511038376410175
Energy: 1.7886350152040207
Energy: 2.2511038376403136
Energy: 1.7919375250258154
Energy: 2.210647143153678
Energy: 2.2483916366253482
Energy: 2.2106471431529737
Energy: 1.7919375250258154
Energy: 2.2106471431529737
Energy: 1.8248433173935594
Energy: 2.2559715247755294
Energy: 1.8049575924204855
Energy: 2.2559715247755294
Energy: 1.8248433173935594
Energy: 2.255971524774825

minimum gb energy = 1.7597314851328278 eV
minimum distance =  2.35667669279145 Angstroms
sigma value = 33


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

Energy: 2.111182145857403
Energy: 2.124156162536006
Energy: 1.8742349828293177
Energy: 2.1241561625355123
Energy: 2.1111821458583915
Energy: 2.124156162535018
Energy: 2.82871350070272
Energy: 1.9212068289309345
Energy: 1.554876491585137
Energy: 1.921206828860794
Energy: 2.8287135007042026
Energy: 1.9212068288039539
Energy: 2.0737312201599143
Energy: 2.0880952824570413
Energy: 1.7166586806139432
Energy: 2.088095282457536
Energy: 2.0737312201604086
Energy: 2.088095282457536
Energy: 2.42185381158776
Energy: 1.7930005683766452
Energy: 1.5267009486781737
Energy: 1.7930005834523854
Energy: 2.4218538118585267
Energy: 1.7930005485072278
Energy: 1.571415784239233
Energy: 2.058737289850489
Energy: 1.7411943094256703
Energy: 2.058737289851972
Energy: 1.5714157842402212
Energy: 2.0587372898514777
Energy: 2.232320170116482
Energy: 1.927154440511101
Energy: 1.5655940180985388
Energy: 1.927154440510607
Energy: 2.232320170115988
Energy: 1.9271544405101126
Energy: 1.5454356234768036
Energy: 1.8826622620904236
Energy: 1.7333348140455112
Energy: 1.8826622620899294
Energy: 1.545435623477298
Energy: 1.8826622620914122
Energy: 2.0559213494060895
Energy: 1.9212537352473433
Energy: 1.6247618405147048
Energy: 1.921253735248826
Energy: 2.0559213494214115
Energy: 1.9212537352478376
Energy: 1.5159614732972657
Energy: 1.9927442264854924
Energy: 2.0523742561489904
Energy: 1.9927442264854924
Energy: 1.5159614732952889
Energy: 1.9927442264854924
Energy: 1.8914437935823303
Energy: 1.9608961046521702
Energy: 1.8940703708842002
Energy: 1.9608961046526645
Energy: 1.8914437935813415
Energy: 1.9608961046531586
Energy: 1.588399936002944
Energy: 1.9086074466340066
Energy: 2.0553782683233264
Energy: 1.9086074466330178
Energy: 1.588399936002944
Energy: 1.9086074466335121
Energy: 2.276321755190535
Energy: 1.982012679066448
Energy: 1.9337889505343915
Energy: 1.9820126790669426
Energy: 2.276321754787395
Energy: 1.9820126790669426
Energy: 1.8574591340302231
Energy: 1.9941739941689867
Energy: 2.397794286915951
Energy: 1.9941739941684922
Energy: 1.8574591340307174
Energy: 1.9941739941679983
Energy: 1.907754610996099
Energy: 1.9691758403712107
Energy: 2.2432554159107427
Energy: 1.969175840371705
Energy: 1.9077546109970875
Energy: 1.969175840371705
Energy: 1.9044601306867655
Energy: 1.9140249108267424
Energy: 2.408135248567593
Energy: 1.9140249108267424
Energy: 1.9044601306867655
Energy: 1.9140249108277312
Energy: 1.8777938256604423
Energy: 1.9819641973257078
Energy: 1.9329985488055776
Energy: 1.9819641973257078
Energy: 1.8777938256609363
Energy: 1.9819641973262023
Energy: 1.8577679462444392
Energy: 1.9479733361412552
Energy: 2.2279694923454247
Energy: 1.947973336140761
Energy: 1.8577679462449335
Energy: 1.9479733361412552
Energy: 1.5244212004187354
Energy: 1.9889284421011206
Energy: 1.894528197305053
Energy: 1.9889284421011206
Energy: 1.5244212004177469
Energy: 1.9889284421011206
Energy: 1.8963152525940214
Energy: 1.9244756230623214
Energy: 1.859398067357499
Energy: 1.9244756230623214
Energy: 1.8963152525940214
Energy: 1.9244756230623214
Energy: 1.5254402506711338
Energy: 1.9992886060369457
Energy: 1.6242590570277489
Energy: 1.9992886060374402
Energy: 1.5254402506706397
Energy: 1.9992886060364514
Energy: 1.8579369266506613
Energy: 1.9252225581581008
Energy: 1.8888404022774523
Energy: 1.9252225581576063
Energy: 1.8579369266511558
Energy: 1.9252225581590896
Energy: 1.5530202009092535
Energy: 1.9942262646526356
Energy: 1.5639694968308386
Energy: 1.9942262646526356
Energy: 1.5530202009097478
Energy: 1.9942262646531297
Energy: 2.2274556268228305
Energy: 1.9181917453324726
Energy: 1.536639851236827
Energy: 1.9181917453334612
Energy: 2.2274556268228305
Energy: 1.9181917453329669
Energy: 1.5721473476970398
Energy: 1.998133999852845
Energy: 1.5292758699852658
Energy: 1.998133999852845
Energy: 1.5721473476970398
Energy: 1.998133999852351
Energy: 2.216365326128178
Energy: 1.9460061144231549
Energy: 1.880647797080212
Energy: 1.9460061144241432
Energy: 2.216365326128178
Energy: 1.946006114423649
Energy: 2.055578246263543
Energy: 1.9851145879774705
Energy: 1.604409726115035
Energy: 1.9851145879779648
Energy: 2.055578246263543
Energy: 1.9851145879774705
Energy: 2.768354678707817
Energy: 1.8840218507751454
Energy: 1.5251187720794104
Energy: 1.884021850769214
Energy: 2.768354678707817
Energy: 1.8840218507726738
Energy: 2.1064178538096416
Energy: 1.9741548594553093
Energy: 1.9773793963718724
Energy: 1.9741548594548148
Energy: 2.1064178538101364
Energy: 1.974154859454321
Energy: 2.3915144357887623
Energy: 1.9331095494516617
Energy: 1.8765332435086028
Energy: 1.9331095494496846
Energy: 2.391514435787774
Energy: 1.9331095494506734
Energy: 2.0557462459720526
Energy: 1.9850072533168466
Energy: 2.0225871793763663
Energy: 1.9850072533168466
Energy: 2.0557462459720526
Energy: 1.9850072533168466
Energy: 2.394126992962151
Energy: 1.8485284854510178
Energy: 1.5241876711721598
Energy: 1.8485284854495798
Energy: 2.394126992962646
Energy: 1.848528485450074
Energy: 1.5722335510794203
Energy: 1.961848304444746
Energy: 1.9619891196928487
Energy: 1.9618483044437576
Energy: 1.5722335510799146
Energy: 1.9618483044437576
Energy: 2.041813455871955
Energy: 1.9133813382962044
Energy: 1.5257385276229805
Energy: 1.9133813382962044
Energy: 2.041813455870967
Energy: 1.9133813382981817
Energy: 1.553304267839563
Energy: 1.9027527964955093
Energy: 2.0510343569944824
Energy: 1.9027527964950148
Energy: 1.5533042678405513
Energy: 1.9027527964950148
Energy: 2.0508510788853664
Energy: 1.9032095165186738
Energy: 1.5532126936628192
Energy: 1.903209516519662
Energy: 2.050851078885861
Energy: 1.903209516519662
Energy: 1.5253475410005177
Energy: 1.913522703550684
Energy: 2.041911914443361
Energy: 1.913522703550684
Energy: 1.5253475410000235
Energy: 1.9135227035521671
Energy: 1.9619076675490459
Energy: 1.9619307218172226
Energy: 1.5721527466860064
Energy: 1.9619307218167283
Energy: 1.9619076675490459
Energy: 1.9619307218167283
Energy: 1.5241903108404213
Energy: 1.8491668745210446
Energy: 2.3943218477176336
Energy: 1.8491668745210446
Energy: 1.524190310839927
Energy: 1.8491668745210446
Energy: 2.022587179368458
Energy: 1.9850971629289726
Energy: 2.055374192892874
Energy: 1.9850971629299614
Energy: 2.0225871793679633
Energy: 1.9850971629299614
Energy: 1.7913450629500207
Energy: 1.9331923057152895
Energy: 2.391536490961544
Energy: 1.9331923057143008
Energy: 1.7913450629500207
Energy: 1.933192305714795
Energy: 1.9772789084286473
Energy: 1.9741627653916907
Energy: 2.1086649596946616
Energy: 1.9741627653916907
Energy: 1.9772789084271645
Energy: 1.9741627653921852
Energy: 1.5249059154395594
Energy: 1.8839970213338875
Energy: 2.7683124088256785
Energy: 1.8839970213338875
Energy: 1.5249059154400537
Energy: 1.8839970213338875
Energy: 1.6046581080271254
Energy: 1.9851339885845893
Energy: 2.0557904078953078
Energy: 1.9851339885845893
Energy: 1.6046581080271254
Energy: 1.9851339885845893
Energy: 1.686119967774182
Energy: 1.9544815452643318
Energy: 2.2186650899376548
Energy: 1.9544815452643318
Energy: 1.6861199677761591
Energy: 1.9544815452648259
Energy: 1.5292425077854113
Energy: 1.9981589821348684
Energy: 1.5769271203415676
Energy: 1.9981589821348684
Energy: 1.5292425077844227
Energy: 1.998158982134374
Energy: 1.536636261363195
Energy: 1.9181917453359323
Energy: 2.2281601393848742
Energy: 1.9181917453364266
Energy: 1.5366362613636892
Energy: 1.9181917453364266
Energy: 1.5639236638966985
Energy: 1.994169829032048
Energy: 1.553155752824889
Energy: 1.994169829032048
Energy: 1.5639236638966985
Energy: 1.994169829032048

minimum gb energy = 1.5159614732952889 eV
minimum distance =  2.49150715358995 Angstroms
sigma value = 67


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

Energy: 0.3985091518887249
Energy: 0.40098093416798175
Energy: 1.6752917146228727
Energy: 0.40098093416798175
Energy: 0.3985091518890252
Energy: 0.40098093416798175
Energy: 0.4380146564056436
Energy: 1.4425031979892822
Energy: 1.1736228470845014
Energy: 1.4425031979892822
Energy: 0.4380146564049679
Energy: 1.4425031979889444
Energy: 0.3985091518887249
Energy: 0.40098093416798175
Energy: 1.6752917146235484
Energy: 0.4009809341676815
Energy: 0.3985091518893631
Energy: 0.4009809341676815
Energy: 0.4380146564043298
Energy: 1.4425031979896201
Energy: 1.1736228470845014
Energy: 1.4425031979892822
Energy: 0.43801465640466763
Energy: 1.4425031979889444
Energy: 0.3985091518890252
Energy: 0.40098093416798175
Energy: 1.6752917146232105
Energy: 0.4009809341676815
Energy: 0.3985091518890252
Energy: 0.40098093416798175
Energy: 0.4380146564059814
Energy: 1.4425031979892822
Energy: 1.173622847084839
Energy: 1.4425031979899579
Energy: 0.4380146564049679
Energy: 1.4425031979892822
Energy: 0.3985091518890252
Energy: 0.40098093416831965
Energy: 1.6752917146235484
Energy: 0.4009809341676815
Energy: 0.3985091518890252
Energy: 0.4009809341676815

minimum gb energy = 0.3985091518887249 eV
minimum distance =  2.66856446997329 Angstroms
sigma value = 3


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

Energy: 2.45357936481571
Energy: 1.8757790770485407
Energy: 1.8197316933705145
Energy: 1.875779077047642
Energy: 2.4535793648153015
Energy: 1.8757790770485407
Energy: 2.7141887895478565
Energy: 1.4524480952928145
Energy: 1.4994297839396897
Energy: 1.4524480952928145
Energy: 2.7141887895478565
Energy: 1.4524480952919152
Energy: 2.425577112725716
Energy: 1.8368835887095567
Energy: 1.8732516388118927
Energy: 1.8368835887090664
Energy: 2.425577112725307
Energy: 1.8368835887095567
Energy: 2.594910064453831
Energy: 1.7212462186506237
Energy: 1.4645966532809689
Energy: 1.7212462186502149
Energy: 2.59491006445473
Energy: 1.7212462186506237
Energy: 2.0330452954417946
Energy: 1.8536550559004903
Energy: 1.7664432521383797
Energy: 1.8536550559000817
Energy: 2.0330452954417946
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Energy: 1.6935042705114505
Energy: 2.4505947534061896
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Energy: 1.831646056745934
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Energy: 1.812157742208422
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Energy: 2.1030159051033115
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Energy: 1.8172944970472578
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Energy: 1.7395627393347988
Energy: 1.8372465889466054
Energy: 1.559747062297965
Energy: 1.7782577518938372
Energy: 2.22628731794143
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Energy: 1.559747062298864
Energy: 1.778257751893347
Energy: 1.615761517209444
Energy: 1.82737156068291
Energy: 2.0320941412714024
Energy: 1.8273715606825012
Energy: 1.6157615172099342
Energy: 1.8273715606825012
Energy: 1.4933325690463697
Energy: 1.7182344597509591
Energy: 2.20053384268726
Energy: 1.718234459751368
Energy: 1.4933325690472687
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Energy: 1.607700423321526
Energy: 1.8300174324010232
Energy: 2.3959735126061448
Energy: 1.8300174324024123
Energy: 1.6077004233220162
Energy: 1.8300174324015135
Energy: 1.4728693593394646
Energy: 1.5349432050117326
Energy: 2.5054629142666105
Energy: 1.5349432050121414
Energy: 1.4728693593403637
Energy: 1.5349432050108338
Energy: 1.490879982940946
Energy: 1.8474514419925157
Energy: 2.3305694556559438
Energy: 1.8474514419925157
Energy: 1.490879982940047
Energy: 1.8474514419921066
Energy: 1.4972032561265554
Energy: 1.5588919852805299
Energy: 2.3623368299985836
Energy: 1.5588919852791405
Energy: 1.4972032561265554
Energy: 1.5588919852791405
Energy: 1.5883720076250831
Energy: 1.8300214200906277
Energy: 2.3332580892258323
Energy: 1.8300214200906277
Energy: 1.5883720076246743
Energy: 1.8300214200902194
Energy: 1.4668026743840215
Energy: 1.5622861338936789
Energy: 2.4433108834471806
Energy: 1.5622861338949865
Energy: 1.4668026743831224
Energy: 1.562286133898583
Energy: 1.5815762736715615
Energy: 1.828689086759558
Energy: 2.0353237388126657
Energy: 1.8286890867591497
Energy: 1.5815762736719703
Energy: 1.8286890867591497
Energy: 1.5960544545230848
Energy: 1.7970635688778775
Energy: 2.0924876970625714
Energy: 1.7970635688778775
Energy: 1.596054454522186
Energy: 1.7970635688778775
Energy: 1.9495873198093279
Energy: 1.8217636273438385
Energy: 2.0035676457338587
Energy: 1.8217636273465354
Energy: 1.9495873198089189
Energy: 1.8217636273434297

minimum gb energy = 1.4524480952919152 eV
minimum distance =  2.47399949478776 Angstroms
sigma value = 81


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

Energy: 2.3229562101983388
Energy: 2.172767162519044
Energy: 2.012514439131526
Energy: 2.172767162519044
Energy: 2.3229562101983388
Energy: 2.172767162519044
Energy: 2.616986381924398
Energy: 1.6438996831169437
Energy: 1.679252683279877
Energy: 1.6438996831169437
Energy: 2.6169863819237813
Energy: 1.6438996831181778
Energy: 2.2507908229722005
Energy: 2.08412174548313
Energy: 1.8030489355437573
Energy: 2.084121745482513
Energy: 2.2507908229722005
Energy: 2.0841217454837473
Energy: 2.4751086904573856
Energy: 1.6655345336572511
Energy: 1.6336457273109524
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Energy: 2.475108690456769
Energy: 1.6655345336566343
Energy: 1.7645518752667304
Energy: 2.0356112621574733
Energy: 1.8727850946546358
Energy: 2.0356112621580897
Energy: 1.7645518752667304
Energy: 2.035611262156239
Energy: 2.2708459568125576
Energy: 2.015092431383444
Energy: 1.6799821176363816
Energy: 2.015092431384061
Energy: 2.270845956811941
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Energy: 1.6856066133898895
Energy: 2.037056787125968
Energy: 1.9081194894193685
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Energy: 1.6856066133898895
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Energy: 2.218433316031984
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Energy: 1.67967936177488
Energy: 2.081442016572077
Energy: 1.6652375413146938
Energy: 2.064217284882836
Energy: 2.394212894855573
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Energy: 1.6652375413140768
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Energy: 1.6477235932057772
Energy: 2.0572676578660785
Energy: 2.1957202798965008
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Energy: 1.6477235932051604
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Energy: 1.6471510678874912
Energy: 2.05759357221684
Energy: 2.1253570221182607
Energy: 2.05759357221684
Energy: 1.6471510678881083
Energy: 2.0575935722174568
Energy: 1.6649530667685482
Energy: 2.1140437406604553
Energy: 1.7783869533682601
Energy: 2.114043740659221
Energy: 1.664953066769165
Energy: 2.1140437406598385
Energy: 1.665073351767068
Energy: 2.012338739070214
Energy: 2.0950855462251066
Energy: 2.012338739072682
Energy: 1.665073351767068
Energy: 2.0123387390695973
Energy: 2.128354628279366
Energy: 2.020625098332556
Energy: 1.6816755593958566
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Energy: 2.020625098331939
Energy: 2.128325058170255
Energy: 2.0406353515940583
Energy: 1.6149697016746267
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Energy: 2.0406353515940583
Energy: 1.9627862415604056
Energy: 2.116630167065343
Energy: 1.6326378061244644
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Energy: 1.9627862415628734
Energy: 2.116630167065343
Energy: 2.1653896792831993
Energy: 2.0374712699247555
Energy: 2.0759369748651686
Energy: 2.0374712699253723
Energy: 2.165389679284433
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Energy: 2.409787163052464
Energy: 2.051559329550026
Energy: 1.6152942253402152
Energy: 2.0515593295487924
Energy: 2.4097871630549315
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Energy: 2.409562363816561
Energy: 2.023413939114477
Energy: 1.6152866206486327
Energy: 2.023413939114477
Energy: 2.4095623638177943
Energy: 2.0234139391138597
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Energy: 2.0374938305580947
Energy: 1.8318746057288964
Energy: 2.037493830557478
Energy: 2.165308563063228
Energy: 2.037493830557478
Energy: 1.9626455869210484
Energy: 2.1175969584533614
Energy: 1.6327136194877374
Energy: 2.1175969584539787
Energy: 1.9626455869216655
Energy: 2.1175969584533614
Energy: 2.1283054731356907
Energy: 2.042345150179922
Energy: 1.6149326424531558
Energy: 2.0423451501793046
Energy: 2.1283054731350735
Energy: 2.042345150179922
Energy: 2.1285424518500715
Energy: 2.0455948298960216
Energy: 1.6815405020392697
Energy: 2.0455948298954043
Energy: 2.1285424518494547
Energy: 2.045594829897872
Energy: 1.6650507420672038
Energy: 2.011337027529532
Energy: 1.848706095666068
Energy: 2.0113370275289153
Energy: 1.6650507420672038
Energy: 2.0113370275289153
Energy: 1.6649707042949728
Energy: 2.1138792520393213
Energy: 1.7781878363780683
Energy: 2.1138792520393213
Energy: 1.6649707042949728
Energy: 2.1138792520393213
Energy: 1.6472090899793157
Energy: 2.057593572219308
Energy: 2.125381408609907
Energy: 2.057593572219925
Energy: 1.6472090899793157
Energy: 2.057593572219308
Energy: 1.6476870321334653
Energy: 2.083132210637793
Energy: 2.1955349418090946
Energy: 2.083132210637176
Energy: 1.6476870321340824
Energy: 2.083132210637793
Energy: 1.6650915714495904
Energy: 2.0643745087478935
Energy: 2.1580704838579883
Energy: 2.0643745087485104
Energy: 1.6650915714502077
Energy: 2.0643745087485104
Energy: 1.6797907708511433
Energy: 2.1037465775441895
Energy: 2.2184728434206478
Energy: 2.103746577542956
Energy: 1.6797907708517603
Energy: 2.1037465775435726
Energy: 1.615400558079988
Energy: 1.8347345907459618
Energy: 2.4096494768242827
Energy: 1.8347345907459618
Energy: 1.615400558079988
Energy: 1.834734590747196
Energy: 1.7186092354496347
Energy: 2.0437533890841775
Energy: 2.129775733998178
Energy: 2.0437533890835606
Energy: 1.7186092354496347
Energy: 2.0437533890841775
Energy: 1.6330623593158455
Energy: 1.8396263021004273
Energy: 2.159735155109536
Energy: 1.839626302099193
Energy: 1.6330623593164626
Energy: 1.8396263020985766
Energy: 1.6834847872496301
Energy: 2.007689031803767
Energy: 1.743386438727104
Energy: 2.0076890318006817
Energy: 1.6834847872496301
Energy: 2.00768903180315
Energy: 1.6856158635622387
Energy: 2.0300105222422244
Energy: 1.9063306377249587
Energy: 2.0300105222379057
Energy: 1.6856158635622387
Energy: 2.030010522241607

minimum gb energy = 1.6149326424531558 eV
minimum distance =  2.30141513616888 Angstroms
sigma value = 43


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

Energy: 2.497430211246662
Energy: 2.237117044414139
Energy: 2.1692259248201085
Energy: 2.237117044414897
Energy: 2.497430211245904
Energy: 2.237117044414897
Energy: 2.700652916526623
Energy: 1.7695611680000083
Energy: 1.810668271554979
Energy: 1.7695611679992502
Energy: 2.700652916526623
Energy: 1.7695611679992502
Energy: 1.9451458074779469
Energy: 2.213742873762528
Energy: 1.9205517635238576
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Energy: 1.9451458074787047
Energy: 2.213742873763286
Energy: 2.5162138511232013
Energy: 1.7286391137041843
Energy: 1.7573537336274905
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Energy: 2.5162138511232013
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Energy: 1.8250545612152835
Energy: 2.207684399286252
Energy: 2.075755151039701
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Energy: 2.2076843992854944
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Energy: 1.9589457774633465
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Energy: 1.7716564583703702
Energy: 2.2113114141460715
Energy: 1.9574888404182655
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Energy: 1.7987078856781966
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Energy: 1.8112945422388296
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Energy: 1.7993368560928262
Energy: 2.227161395945646
Energy: 1.731373446736863
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Energy: 2.110892489922797
Energy: 2.000478408700372
Energy: 1.7570562733010264
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Energy: 2.110892489923555
Energy: 2.000478408699614
Energy: 2.373233843967461
Energy: 2.185901306279538
Energy: 2.3299171270479646
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Energy: 2.373233843967461
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Energy: 2.208512973335866
Energy: 2.2066929663143147
Energy: 1.7311140680697863
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Energy: 2.2085129733366236
Energy: 2.2066929663150723
Energy: 2.206534361054946
Energy: 2.205657269778301
Energy: 1.7314243319183458
Energy: 2.205657269778301
Energy: 2.206534361054188
Energy: 2.205657269778301
Energy: 2.370701692555144
Energy: 2.206477879719722
Energy: 1.7993238508291456
Energy: 2.206477879719722
Energy: 2.370701692555144
Energy: 2.206477879719722
Energy: 2.3707761792578
Energy: 2.348391977368359
Energy: 1.7576711832384353
Energy: 2.3483919773676014
Energy: 2.3707761792585575
Energy: 2.348391977368359
Energy: 1.7989518117476273
Energy: 2.2241689638827618
Energy: 1.7307041686910865
Energy: 2.224168963884277
Energy: 1.7989518117476273
Energy: 2.2241689638835194
Energy: 1.7994904950850326
Energy: 2.2859972448894057
Energy: 1.8254226268884342
Energy: 2.2859972448894057
Energy: 1.7994904950850326
Energy: 2.2859972448894057
Energy: 1.730891357936352
Energy: 2.2043830417796384
Energy: 1.7986605647990719
Energy: 2.2043830417819117
Energy: 1.7308913579371097
Energy: 2.204383041783428
Energy: 1.730828193530383
Energy: 2.30845067087745
Energy: 1.937272277370829
Energy: 2.30845067087745
Energy: 1.730828193530383
Energy: 2.3084506708766925
Energy: 1.800414543076241
Energy: 2.23700137393194
Energy: 2.1097800095259145
Energy: 2.2370013739311823
Energy: 1.800414543076241
Energy: 2.23700137393194
Energy: 1.7779340124892422
Energy: 2.2358557980733376
Energy: 2.397100033569389
Energy: 2.2358557980733376
Energy: 1.7779340124899998
Energy: 2.2358557980733376
Energy: 1.7332023782166734
Energy: 2.2765010085669592
Energy: 2.2067556494271723
Energy: 2.276501008566201
Energy: 1.7332023782159154
Energy: 2.2765010085669592
Energy: 1.797384298551268
Energy: 2.178815616674539
Energy: 1.9378029315084544
Energy: 2.178815616675297
Energy: 1.797384298551268
Energy: 2.178815616675297
Energy: 1.7594542879230128
Energy: 2.0001407733007395
Energy: 2.1099789249570975
Energy: 2.0001407733007395
Energy: 1.7594542879230128
Energy: 2.0001407733007395
Energy: 1.7316971933933565
Energy: 2.1839647054407276
Energy: 1.824847655331765
Energy: 2.18396470543997
Energy: 1.7316971933933565
Energy: 2.1839647054407276

minimum gb energy = 1.7286271319642559 eV
minimum distance =  2.38819886647651 Angstroms
sigma value = 57


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

Energy: 2.3987180343069947
Energy: 2.5026936652278082
Energy: 2.3565747408911397
Energy: 2.5026936652287897
Energy: 2.3987180343060137
Energy: 2.5026936652278082
Energy: 2.5962616280760558
Energy: 1.95211317569072
Energy: 1.9638550688672274
Energy: 1.9521131756917012
Energy: 2.5962616280760558
Energy: 1.9521131756917012
Energy: 2.1887611910212352
Energy: 2.4549137782883723
Energy: 2.3244871378980503
Energy: 2.4549137782883723
Energy: 2.1887611910212352
Energy: 2.4549137782883723
Energy: 2.1791035029180352
Energy: 2.072213755328627
Energy: 1.9741382896511794
Energy: 2.072213755329608
Energy: 2.1791035029180352
Energy: 2.0722137553305897
Energy: 1.9731166268021971
Energy: 2.1229942896283838
Energy: 2.0779226840418406
Energy: 2.1229942896274028
Energy: 1.9731166268021971
Energy: 2.1229942896283838
Energy: 1.9510732833799607
Energy: 2.4501812604103628
Energy: 2.1741655559205184
Energy: 2.4501812604103628
Energy: 1.9510732833829043
Energy: 2.4501812604103628
Energy: 1.9003906345619332
Energy: 2.324244895936301
Energy: 2.3806680073156588
Energy: 2.324244895936301
Energy: 1.9003906345629147
Energy: 2.324244895936301
Energy: 1.9573911775627182
Energy: 2.414329189965412
Energy: 2.1412705033951975
Energy: 2.414329189965412
Energy: 1.9573911775636992
Energy: 2.414329189965412
Energy: 1.9324736078418705
Energy: 2.101372185792613
Energy: 2.4641593506415913
Energy: 2.1013721857916314
Energy: 1.9324736078418705
Energy: 2.101372185792613
Energy: 2.095239246401288
Energy: 2.4295071383298965
Energy: 2.1797392481390907
Energy: 2.4295071383298965
Energy: 2.095239246402269
Energy: 2.4295071383298965
Energy: 2.083615446248852
Energy: 2.069600735931288
Energy: 2.0832536447994343
Energy: 2.0696007359322692
Energy: 2.083615446248852
Energy: 2.0696007359332507
Energy: 2.185726127490157
Energy: 2.3555478762814417
Energy: 1.9726492311952848
Energy: 2.3555478762814417
Energy: 2.185726127489176
Energy: 2.3555478762814417
Energy: 2.143000311239236
Energy: 2.4086884708612226
Energy: 1.9455278669606857
Energy: 2.4086884708612226
Energy: 2.143000311239236
Energy: 2.4086884708612226
Energy: 2.9444828788415656
Energy: 2.197317883985248
Energy: 1.9002337705522319
Energy: 2.197317883985248
Energy: 2.9444828788405846
Energy: 2.1973178839862295
Energy: 2.597029298945642
Energy: 2.458224344227552
Energy: 1.9216888975573314
Energy: 2.458224344227552
Energy: 2.597029298237506
Energy: 2.458224344228533
Energy: 2.184998817075024
Energy: 2.4283056111572052
Energy: 1.9053098853201735
Energy: 2.4283056111581867
Energy: 2.184998817075024
Energy: 2.4283056111581867
Energy: 2.178757035848368
Energy: 2.217865410856466
Energy: 2.083513472605292
Energy: 2.2178654108584284
Energy: 2.178757035848368
Energy: 2.2178654108574474
Energy: 2.0829166779896835
Energy: 2.345717960303394
Energy: 2.102856926145481
Energy: 2.345717960303394
Energy: 2.0829166779896835
Energy: 2.345717960304375
Energy: 2.0972272604601763
Energy: 2.3316164307915552
Energy: 2.1827624912384844
Energy: 2.331616430790574
Energy: 2.0972272604601763
Energy: 2.3316164307915552
Energy: 1.9582480769892987
Energy: 2.449462917456445
Energy: 2.1831267292510455
Energy: 2.4494629174574265
Energy: 1.9582480769902804
Energy: 2.449462917456445
Energy: 1.9150699418626125
Energy: 2.413457448018571
Energy: 2.714149229172061
Energy: 2.4134574480175894
Energy: 1.9150699418626125
Energy: 2.4134574480175894
Energy: 1.9009757872456445
Energy: 2.220067578670922
Energy: 2.7097275605354643
Energy: 2.220067578671903
Energy: 1.9009757872446633
Energy: 2.220067578670922
Energy: 1.9281511075629563
Energy: 2.4352255916213523
Energy: 2.182693309390877
Energy: 2.4352255916213523
Energy: 1.9281511075629563
Energy: 2.4352255916213523
Energy: 1.9724443840514754
Energy: 2.195248348314508
Energy: 2.1837442466651686
Energy: 2.195248348314508
Energy: 1.9724443840524566
Energy: 2.195248348314508

minimum gb energy = 1.9002337705522319 eV
minimum distance =  2.36577722805316 Angstroms
sigma value = 17


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

Energy: 2.1437081249956798
Energy: 2.138577955581674
Energy: 2.5717512827487856
Energy: 2.138577955581674
Energy: 2.1437081249956798
Energy: 2.138577955583062
Energy: 2.1648610709082132
Energy: 2.0908761161888947
Energy: 2.061485207748076
Energy: 2.090876116187507
Energy: 2.164861070909601
Energy: 2.090876116187507
Energy: 2.1250395118970613
Energy: 2.0964694305721605
Energy: 2.2883634064718814
Energy: 2.0964694305707727
Energy: 2.1250395118970613
Energy: 2.0964694305721605
Energy: 2.1506936565700623
Energy: 2.111189014834467
Energy: 2.0606656777157295
Energy: 2.111189014834467
Energy: 2.1506936565700623
Energy: 2.111189014834467
Energy: 2.0612723647000153
Energy: 2.090998961339688
Energy: 2.509278760098962
Energy: 2.090998961339688
Energy: 2.0612723647000153
Energy: 2.0909989613383004
Energy: 2.1165418573771455
Energy: 2.1391056969443616
Energy: 2.183543939370927
Energy: 2.1391056969443616
Energy: 2.116541857375758
Energy: 2.1391056969443616
Energy: 2.0974457080265485
Energy: 2.250658620475636
Energy: 2.1809296513678365
Energy: 2.250658620475636
Energy: 2.0974457080265485
Energy: 2.250658620474248
Energy: 2.0594349693971328
Energy: 2.3406128946216107
Energy: 2.061186443774256
Energy: 2.3406128946229985
Energy: 2.0594349693985206
Energy: 2.3406128946216107
Energy: 2.0610290961672884
Energy: 2.115708941434975
Energy: 2.212158201489981
Energy: 2.1157089414335877
Energy: 2.0610290961672884
Energy: 2.1157089414335877
Energy: 2.3074339301375466
Energy: 2.0756399665654404
Energy: 2.0614985108258286
Energy: 2.0756399665654404
Energy: 2.3074339301375466
Energy: 2.0756399665654404
Energy: 2.1793812261069183
Energy: 2.3906721965782554
Energy: 2.0941592854852455
Energy: 2.390672196579643
Energy: 2.1793812261069183
Energy: 2.3906721965768676
Energy: 2.0591481360811077
Energy: 2.095385760469802
Energy: 2.093346264446378
Energy: 2.095385760469802
Energy: 2.0591481360797204
Energy: 2.0953857604684147
Energy: 2.0614195123686514
Energy: 2.332248017898685
Energy: 2.060624949552301
Energy: 2.3322480179014606
Energy: 2.0614195123686514
Energy: 2.3322480179014606
Energy: 2.1169484609491374
Energy: 2.0599320999912236
Energy: 2.061400571003527
Energy: 2.0599320999912236
Energy: 2.116948460951881
Energy: 2.0599320999912236
Energy: 2.061940236033277
Energy: 2.4092292469819268
Energy: 2.171051198901757
Energy: 2.409229246983314
Energy: 2.0619402360346646
Energy: 2.4092292469805385
Energy: 2.085069495502567
Energy: 2.405546402936211
Energy: 2.169109182419503
Energy: 2.4055464029514746
Energy: 2.0850694954997913
Energy: 2.40554640273093
Energy: 2.1159777820679677
Energy: 2.0849502932851864
Energy: 2.059883732948926
Energy: 2.0849502932837987
Energy: 2.1159777820679677
Energy: 2.0849502932837987

minimum gb energy = 2.0591481360797204 eV
minimum distance =  2.46080368453742 Angstroms
sigma value = 17


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

Energy: 2.7854593988946896
Energy: 2.714478008264987
Energy: 2.679474314131186
Energy: 2.714478008264451
Energy: 2.7854593988946896
Energy: 2.714478008264987
Energy: 2.5623689797412164
Energy: 2.1439187746317687
Energy: 2.151531080826945
Energy: 2.1439187746290886
Energy: 2.5623689797412164
Energy: 2.1439187746285535
Energy: 2.176944703723777
Energy: 2.269523816717672
Energy: 2.4272867621559713
Energy: 2.2695238167182077
Energy: 2.1769447037243124
Energy: 2.269523816717672
Energy: 2.190020048939516
Energy: 2.61599696707588
Energy: 2.3085377728727035
Energy: 2.615996967075344
Energy: 2.190020048919689
Energy: 2.6159969670742718
Energy: 2.1587805115717895
Energy: 2.1791708915525776
Energy: 2.6113381881625184
Energy: 2.1791708915552572
Energy: 2.1587805115723255
Energy: 2.1791708915536496
Energy: 2.237581526902772
Energy: 2.650852474283515
Energy: 2.366089949362188
Energy: 2.6508524742840516
Energy: 2.237581526902772
Energy: 2.6508524742840516
Energy: 2.142679965627257
Energy: 2.254739354064677
Energy: 2.577844288393191
Energy: 2.254739354065213
Energy: 2.142679965627257
Energy: 2.2547393540641414
Energy: 2.5499832143287495
Energy: 2.3886573853270345
Energy: 2.166406766026891
Energy: 2.3886573853270345
Energy: 2.5499832143276775
Energy: 2.388657385326499
Energy: 2.3466051767048377
Energy: 2.644099337437587
Energy: 2.156452996395921
Energy: 2.6440993374370505
Energy: 2.3466051767053733
Energy: 2.644099337438123
Energy: 2.758016451764515
Energy: 2.1487018355323158
Energy: 2.1377492984731847
Energy: 2.148701835527493
Energy: 2.758016451760764
Energy: 2.1487018355323158
Energy: 2.2964743178941522
Energy: 2.6483996739265283
Energy: 2.2326492841276306
Energy: 2.6483996739265283
Energy: 2.2964743178941522
Energy: 2.6483996739270643
Energy: 2.1827038285083655
Energy: 2.6491542422323344
Energy: 2.181421214451825
Energy: 2.6491542422334056
Energy: 2.1827038285089015
Energy: 2.6491542422317984
Energy: 2.1558011111926088
Energy: 2.3603960225903653
Energy: 2.592153976089377
Energy: 2.3603960225919725
Energy: 2.1558011111926088
Energy: 2.3603960225914373
Energy: 2.155417636682998
Energy: 2.679505546983449
Energy: 2.7947820521052438
Energy: 2.6795055469845206
Energy: 2.1554176366808537
Energy: 2.679505546983449
Energy: 2.1609908196607113
Energy: 2.6653836611924886
Energy: 2.235115379632202
Energy: 2.6653836611924886
Energy: 2.1609908196601757
Energy: 2.665383661193025
Energy: 2.295003472830581
Energy: 2.645168272704896
Energy: 2.1812965425482043
Energy: 2.645168272700609
Energy: 2.295003472830581
Energy: 2.645168272708111
Energy: 2.2979925096487066
Energy: 2.6407566570940992
Energy: 2.1727194656835254
Energy: 2.6407566570940992
Energy: 2.2979925096487066
Energy: 2.6407566570946353
Energy: 2.742499740789675
Energy: 2.570768122991559
Energy: 2.1613392747438867
Energy: 2.570768122991559
Energy: 2.742499740790211
Energy: 2.570768122991559
Energy: 2.7448303198726456
Energy: 2.491785084477417
Energy: 2.1443629167566742
Energy: 2.491785084477417
Energy: 2.7448303198726456
Energy: 2.4917850844779537
Energy: 2.1549760302917655
Energy: 2.719329065007402
Energy: 2.154647164558022
Energy: 2.719329065007402
Energy: 2.1549760302917655
Energy: 2.719329065007938
Energy: 2.1442831600772787
Energy: 2.49138783043196
Energy: 2.7447429853108485
Energy: 2.491387830431424
Energy: 2.1442831600772787
Energy: 2.491387830431424
Energy: 2.161430196207046
Energy: 2.5710047848875006
Energy: 2.7426346180237666
Energy: 2.5710047848869646
Energy: 2.1614301962081175
Energy: 2.5710047848875006
Energy: 2.1732818880956324
Energy: 2.6404229078744867
Energy: 2.297767811546077
Energy: 2.640422907873951
Energy: 2.173281888096168
Energy: 2.640422907873951
Energy: 2.1810789676666182
Energy: 2.656335756871881
Energy: 2.295015758246835
Energy: 2.6563357568724175
Energy: 2.181078967665546
Energy: 2.6563357568724175
Energy: 2.2336175839372507
Energy: 2.6655150854466476
Energy: 2.160964036043696
Energy: 2.665515085445576
Energy: 2.2336175839372507
Energy: 2.665515085446112
Energy: 2.7944686778028913
Energy: 2.679613785859174
Energy: 2.1548963173004947
Energy: 2.6796137858586384
Energy: 2.7944686778023553
Energy: 2.6796137858575664
Energy: 2.5918954514160606
Energy: 2.3810821032057063
Energy: 2.1554700534621998
Energy: 2.381082103207314
Energy: 2.5918954514219554
Energy: 2.3810821032083855
Energy: 2.1812464071613125
Energy: 2.6675765497069652
Energy: 2.182785949281942
Energy: 2.667576549708037
Energy: 2.1812464071613125
Energy: 2.667576549707501
Energy: 2.233284820278629
Energy: 2.6485804684817578
Energy: 2.296271174345196
Energy: 2.648580468480686
Energy: 2.233284820278629
Energy: 2.648580468481222
Energy: 2.1376613855585704
Energy: 2.1487018355296366
Energy: 2.7581246988980683
Energy: 2.1487018355328518
Energy: 2.137661385558035
Energy: 2.1487018355317797
Energy: 2.1565280928751007
Energy: 2.640951367594105
Energy: 2.3467681186574136
Energy: 2.6409513675930336
Energy: 2.156528092874029
Energy: 2.640951367593569
Energy: 2.1666613570467
Energy: 2.4051225572107766
Energy: 2.548823075577565
Energy: 2.4051225572113126
Energy: 2.1666613570467
Energy: 2.4051225572113126
Energy: 2.579673419265534
Energy: 2.2601119209243166
Energy: 2.1426737997662095
Energy: 2.2601119209264597
Energy: 2.5796734192666055
Energy: 2.2601119209259237
Energy: 2.366427667762061
Energy: 2.6597836534913517
Energy: 2.2375491342473617
Energy: 2.6597836534918873
Energy: 2.366427667762061
Energy: 2.6597836534913517
Energy: 2.6112167859567705
Energy: 2.179170891556329
Energy: 2.157272494394955
Energy: 2.179170891554721
Energy: 2.6112167859552113
Energy: 2.1791708915557932
Energy: 2.3087391047847046
Energy: 2.6203611820700474
Energy: 2.1898615370348384
Energy: 2.6203611820705834
Energy: 2.3087391047841685
Energy: 2.620361182068976
Energy: 2.4279914696824476
Energy: 2.2582177488684216
Energy: 2.176979567978146
Energy: 2.25821774886735
Energy: 2.427991469679768
Energy: 2.2582177488700292
Energy: 2.151546858781028
Energy: 2.1458850709785207
Energy: 2.5620785221075986
Energy: 2.1458850709790562
Energy: 2.1515468587815634
Energy: 2.1458850709795922
Energy: 2.432625923888926
Energy: 2.714478008264451
Energy: 2.7854593988952256
Energy: 2.714478008264987
Energy: 2.432625923886247
Energy: 2.714478008264451
Energy: 2.151531080826945
Energy: 2.143918774627481
Energy: 2.562368979743896
Energy: 2.1439187746317687
Energy: 2.151531080827481
Energy: 2.143918774628017
Energy: 2.427286762158651
Energy: 2.269523816717672
Energy: 2.1769447037243124
Energy: 2.2695238167182077
Energy: 2.4272867621548997
Energy: 2.269523816717672
Energy: 2.308537772872168
Energy: 2.61599696707588
Energy: 2.1900200489336217
Energy: 2.6159969670748078
Energy: 2.3085377728732395
Energy: 2.615996967075344
Energy: 2.611338188163591
Energy: 2.1791708915536496
Energy: 2.1587805115717895
Energy: 2.179170891554721
Energy: 2.6113381881619833
Energy: 2.1791708915525776

minimum gb energy = 2.137661385558035 eV
minimum distance =  2.43345620445477 Angstroms
sigma value = 57


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

Energy: 2.3857001945589786
Energy: 2.7424734726418576
Energy: 2.5703056381364764
Energy: 2.7424734726418576
Energy: 2.3857001945598513
Energy: 2.742473472640985
Energy: 2.3283858387130922
Energy: 2.1393664842886446
Energy: 2.132661924061088
Energy: 2.1393664842912625
Energy: 2.3283858387165823
Energy: 2.139366484292135
Energy: 2.1347894671655645
Energy: 2.310477811334112
Energy: 2.1437712341444803
Energy: 2.310477811328877
Energy: 2.1347894671664367
Energy: 2.310477811328877
Energy: 2.4795972005996605
Energy: 2.292999988367894
Energy: 2.346049852767666
Energy: 2.2929999883670225
Energy: 2.4920611857199146
Energy: 2.292999988368767
Energy: 2.1357762179832043
Energy: 2.2111977938974174
Energy: 2.4481973093865026
Energy: 2.211197793893927
Energy: 2.1357762179832043
Energy: 2.2111977938930547
Energy: 2.5115685802156986
Energy: 2.2921393380753843
Energy: 2.3459771385078514
Energy: 2.2921393380753843
Energy: 2.5115671084103823
Energy: 2.2921393380745116
Energy: 2.133161112343195
Energy: 2.319314819793259
Energy: 2.7140098041313436
Energy: 2.319314819793259
Energy: 2.133161112343195
Energy: 2.3193148197941316
Energy: 2.6801413807748733
Energy: 2.2231855630338084
Energy: 2.132029804900579
Energy: 2.2231855630355537
Energy: 2.680141380773128
Energy: 2.2231855630329362
Energy: 2.4018843710892335
Energy: 2.745945706894047
Energy: 2.1435884726333754
Energy: 2.745945706894047
Energy: 2.4018843710892335
Energy: 2.745945706893175
Energy: 2.7473298746642034
Energy: 2.143594411497853
Energy: 2.137663480164431
Energy: 2.143594411500471
Energy: 2.747329874662458
Energy: 2.143594411497853
Energy: 2.1316651009818055
Energy: 2.505794283155532
Energy: 2.33466885017986
Energy: 2.505794283155532
Energy: 2.1316651009818055
Energy: 2.505794283155532
Energy: 2.194560824127485
Energy: 2.3294274806373365
Energy: 2.335374844386552
Energy: 2.329427480639875
Energy: 2.1945608241266124
Energy: 2.3294274806416198
Energy: 2.1326905066275152
Energy: 2.6016732605393242
Energy: 2.3350607341596272
Energy: 2.6016732605375785
Energy: 2.1326905066266426
Energy: 2.6016732605367063
Energy: 2.3155846391931436
Energy: 2.556794830365225
Energy: 2.334728257865044
Energy: 2.5567948303643524
Energy: 2.3155846391940162
Energy: 2.5567948303643524
Energy: 2.1372185498538263
Energy: 2.321511397832766
Energy: 2.1441333758118146
Energy: 2.321511397832766
Energy: 2.1372185498546994
Energy: 2.3215113978353834
Energy: 2.6777507065952846
Energy: 2.5720321912032493
Energy: 2.1378520048808403
Energy: 2.572032191204122
Energy: 2.677750706596157
Energy: 2.5720321912049946
Energy: 2.3948394399290724
Energy: 2.736668766832222
Energy: 2.141360214715439
Energy: 2.7366687668313494
Energy: 2.3948394399290724
Energy: 2.736668766832222
Energy: 2.29747754672113
Energy: 2.341295078526045
Energy: 2.1477194208734898
Energy: 2.34129507852779
Energy: 2.2974775467220026
Energy: 2.341295078526917
Energy: 2.1367465772209715
Energy: 2.4442087778841506
Energy: 2.3326394633273773
Energy: 2.4442087778832784
Energy: 2.136746577220099
Energy: 2.4442087778841506
Energy: 2.304812758654115
Energy: 2.6208683555667056
Energy: 2.338466105558072
Energy: 2.6208683555667056
Energy: 2.304812758650625
Energy: 2.620868355568451
Energy: 2.140215602497411
Energy: 2.609967649453302
Energy: 2.3327362240718785
Energy: 2.609967649449812
Energy: 2.1402156024956662
Energy: 2.609967649453302
Energy: 2.1406102902985604
Energy: 2.463223071955944
Energy: 2.3389664971527826
Energy: 2.4632230719533266
Energy: 2.1406102902985604
Energy: 2.4632230719524544
Energy: 2.135987219754984
Energy: 2.338681106904944
Energy: 2.1412931290138464
Energy: 2.338681106904944
Energy: 2.1359872197541114
Energy: 2.338681106906689
Energy: 2.3982480398337147
Energy: 2.740354444362359
Energy: 2.1461619441880453
Energy: 2.7403544443632315
Energy: 2.3982480398345873
Energy: 2.740354444362359
Energy: 2.4085932249739135
Energy: 2.3440376454117886
Energy: 2.1412163588521875
Energy: 2.3440376454152787
Energy: 2.4085932249747857
Energy: 2.3440376454144056
Energy: 2.1399685761493807
Energy: 2.3374608544913014
Energy: 2.1474921086006042
Energy: 2.337460854488684
Energy: 2.139968576150253
Energy: 2.337460854495664
Energy: 2.135721727280959
Energy: 2.4441509378596815
Energy: 2.3335189602642017
Energy: 2.4441509378605546
Energy: 2.1357217272800866
Energy: 2.4441509378588093

minimum gb energy = 2.1316651009818055 eV
minimum distance =  2.33629694947719 Angstroms
sigma value = 43


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

Energy: 2.6522652265679776
Energy: 2.8411698114248662
Energy: 2.8299268357469622
Energy: 2.8411698114248662
Energy: 2.652265226568613
Energy: 2.8411698114242308
Energy: 2.399121796624419
Energy: 2.244259777975076
Energy: 2.193770790597325
Energy: 2.244259777975076
Energy: 2.399121796623783
Energy: 2.2442597779725912
Energy: 2.2334814673440433
Energy: 2.5094278508226036
Energy: 2.5580536524187427
Energy: 2.5094278508219676
Energy: 2.2334814673453147
Energy: 2.5094278508219676
Energy: 2.2488907670495784
Energy: 2.84057861693504
Energy: 2.5439782415762884
Energy: 2.84057861693504
Energy: 2.248889969590388
Energy: 2.84057861693504
Energy: 2.180398109452228
Energy: 2.235719204199879
Energy: 2.656273845690461
Energy: 2.235719204199243
Energy: 2.180398109451592
Energy: 2.2357192041916147
Energy: 2.5067409388205784
Energy: 2.484058475684171
Energy: 2.2883150857643626
Energy: 2.484058475683535
Energy: 2.519554189405405
Energy: 2.4840584756860777
Energy: 2.291872753705752
Energy: 2.4671227803497207
Energy: 2.6262633216272766
Energy: 2.4671227803503566
Energy: 2.291872753705752
Energy: 2.4671227803497207
Energy: 2.4537817858390936
Energy: 2.2499517765238726
Energy: 2.1783996420299743
Energy: 2.2499517765238726
Energy: 2.453781785841001
Energy: 2.2499517765270514
Energy: 2.549864883515704
Energy: 2.8000357593716165
Energy: 2.4978723153579865
Energy: 2.800035759370981
Energy: 2.5498648835144326
Energy: 2.800035759370981
Energy: 2.5265316083348672
Energy: 2.5288549061422794
Energy: 2.244573606459733
Energy: 2.528854906141644
Energy: 2.5265290719987874
Energy: 2.5288549061422794
Energy: 2.1959622552986557
Energy: 2.3355270077791066
Energy: 2.7058957525518226
Energy: 2.3355270077791066
Energy: 2.1959622552992917
Energy: 2.3355270077784707
Energy: 2.2572596099675626
Energy: 2.8045172422539237
Energy: 2.5031196990980855
Energy: 2.8045172422520164
Energy: 2.25725960999172
Energy: 2.8045172422545592
Energy: 2.1946555327503408
Energy: 2.2237946796919674
Energy: 2.505896412863138
Energy: 2.2237946796849744
Energy: 2.1946555327503408
Energy: 2.223794679689425
Energy: 2.560998621496076
Energy: 2.625008130692397
Energy: 2.245594339493056
Energy: 2.625008130692397
Energy: 2.560998621497348
Energy: 2.625008130692397
Energy: 2.5489190357152847
Energy: 2.8382013408742477
Energy: 2.2259134058079306
Energy: 2.838201340873612
Energy: 2.5489190357152847
Energy: 2.838201340874883
Energy: 2.5194492188813746
Energy: 2.5929890460920295
Energy: 2.1847176933275163
Energy: 2.592989046091394
Energy: 2.5194492189411326
Energy: 2.5929890460920295
Energy: 2.2863763453109542
Energy: 2.665843218153878
Energy: 2.5188503561952347
Energy: 2.665843218153878
Energy: 2.2863763453090473
Energy: 2.665843218153242
Energy: 2.226263312286463
Energy: 2.329388970446974
Energy: 2.2947071415280953
Energy: 2.3293889704507884
Energy: 2.2262633122858273
Energy: 2.329388970446338
Energy: 2.2033185953165364
Energy: 2.509586611084135
Energy: 2.5610955093593293
Energy: 2.509586611084135
Energy: 2.2033185953165364
Energy: 2.5095866110847704
Energy: 2.247443109186567
Energy: 2.6240997387122547
Energy: 2.5507442825675857
Energy: 2.624099738710983
Energy: 2.2474431091840246
Energy: 2.6240997387122547
Energy: 2.263935002022173
Energy: 2.4739062255700146
Energy: 2.2708340644201406
Energy: 2.4739062255687427
Energy: 2.2639350020228086
Energy: 2.4739062255700146
Energy: 2.826257889061045
Energy: 2.4989056099487703
Energy: 2.2017191087776995
Energy: 2.498905609945591
Energy: 2.823510501068634
Energy: 2.4989056099481344
Energy: 3.068104745227172
Energy: 2.4342197023681553
Energy: 2.257473654328378
Energy: 2.4342197023675194
Energy: 3.068104745225901
Energy: 2.4342197023681553
Energy: 2.2451607895430605
Energy: 2.525076142814368
Energy: 2.2586651908144573
Energy: 2.5250761428137327
Energy: 2.2451607895430605
Energy: 2.5250761428156396
Energy: 2.254538137380198
Energy: 2.718248344735115
Energy: 2.5616084237538836
Energy: 2.7182483447344796
Energy: 2.254538137380198
Energy: 2.718248344735115
Energy: 2.2274815897092695
Energy: 2.607640242363217
Energy: 2.547852965501005
Energy: 2.6076402423644884
Energy: 2.2274815897079976
Energy: 2.6076402423657603
Energy: 2.19821427568352
Energy: 2.592624393191429
Energy: 2.531387243603444
Energy: 2.592624393191429
Energy: 2.1982142756828846
Energy: 2.5926243931901576
Energy: 2.516841765034924
Energy: 2.809570111516024
Energy: 2.50374714900505
Energy: 2.809570111516024
Energy: 2.5168417650368315
Energy: 2.809570111516024
Energy: 2.5130479574150426
Energy: 2.342445987149252
Energy: 2.2250599422994726
Energy: 2.342445987144802
Energy: 2.5130479574150426
Energy: 2.3424459871549734
Energy: 2.5605070771282765
Energy: 2.6174596885199
Energy: 2.215785565098971
Energy: 2.617459688520536
Energy: 2.560507077129548
Energy: 2.617459688520536
Energy: 2.5831757384934306
Energy: 2.618606625722566
Energy: 2.239919252881259
Energy: 2.618606625722566
Energy: 2.5831757384927947
Energy: 2.618606625722566
Energy: 2.245975689066266
Energy: 2.3368433819929453
Energy: 2.262756769944651
Energy: 2.3368433820628747
Energy: 2.2459756890630866
Energy: 2.3368433822064905
Energy: 2.261341789619883
Energy: 2.7073182301691547
Energy: 2.9359078309545845
Energy: 2.707318230168519
Energy: 2.261341789620519
Energy: 2.7073182301678833
Energy: 2.2067154429531244
Energy: 2.3724691717058626
Energy: 2.983130534979918
Energy: 2.3724691717058626
Energy: 2.2067154429531244
Energy: 2.3724691717058626
Energy: 2.2660362417663205
Energy: 2.4779346285043844
Energy: 2.2416892720619828
Energy: 2.477934628502477
Energy: 2.266036241764413
Energy: 2.477934628506927
Energy: 2.557591945572868
Energy: 2.7495098553388937
Energy: 2.262213239289062
Energy: 2.7495098553369863
Energy: 2.557591945573504
Energy: 2.7495098553369863

minimum gb energy = 2.1783996420299743 eV
minimum distance =  2.33204061412359 Angstroms
sigma value = 81


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

Energy: 2.170740611642527
Energy: 2.2360523207448555
Energy: 3.2276034846222124
Energy: 2.2360523207434486
Energy: 2.170740611642527
Energy: 2.2360523207453062
Energy: 2.5030371496269
Energy: 2.205811692036023
Energy: 2.170858727445065
Energy: 2.205811692036262
Energy: 2.5030371496250154
Energy: 2.205811692036952
Energy: 2.1708273584900297
Energy: 2.2053374936551915
Energy: 2.4483965096301126
Energy: 2.205337493655669
Energy: 2.1708273584900297
Energy: 2.2053374936551915
Energy: 3.227603484622451
Energy: 2.2360523207450673
Energy: 2.1707406116432444
Energy: 2.2360523207439
Energy: 3.227603484622451
Energy: 2.2360523207441387
Energy: 2.170858727444587
Energy: 2.205811692037642
Energy: 2.5030371496254937
Energy: 2.205811692035784
Energy: 2.170858727444587
Energy: 2.2058116920371904
Energy: 2.6973471812858536
Energy: 2.205337493654952
Energy: 2.1708273584902686
Energy: 2.20533749365543
Energy: 2.6973471812856156
Energy: 2.2053374936561196
Energy: 2.170740611643005
Energy: 2.236052320744616
Energy: 2.81252438338474
Energy: 2.236052320744377
Energy: 2.170740611642766
Energy: 2.236052320744377
Energy: 2.5030371496252544
Energy: 2.2058116920367126
Energy: 2.170858727444826
Energy: 2.205811692035784
Energy: 2.503037149624777
Energy: 2.205811692036262
Energy: 2.1708273584902686
Energy: 2.20533749365543
Energy: 2.6973471812863052
Energy: 2.205337493654262
Energy: 2.1708273584902686
Energy: 2.20533749365543
Energy: 2.6368344425954056
Energy: 2.236052320746023
Energy: 2.170740611642766
Energy: 2.236052320746474
Energy: 2.6368344425954056
Energy: 2.2360523207462353

minimum gb energy = 2.170740611642527 eV
minimum distance =  2.46068148599714 Angstroms
sigma value = 3


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

Energy: 2.966023459999993
Energy: 2.871950105595725
Energy: 2.9456603672058153
Energy: 2.871950105595725
Energy: 2.966023459999993
Energy: 2.871950105596424
Energy: 2.6689860396396248
Energy: 2.2960972210298434
Energy: 2.137878246047989
Energy: 2.2960972210305424
Energy: 2.6689860396403238
Energy: 2.2960972210305424
Energy: 2.1221646866752453
Energy: 2.1371138359106814
Energy: 2.4071404141366273
Energy: 2.1371138359106814
Energy: 2.1221646866752453
Energy: 2.137113835908585
Energy: 2.715895976430031
Energy: 2.625155009300283
Energy: 2.3804662573996205
Energy: 2.625155009299584
Energy: 2.715895976420245
Energy: 2.625155009300283
Energy: 2.3279306080632325
Energy: 2.3109053650843077
Energy: 2.7963826020215357
Energy: 2.3109053650836087
Energy: 2.3279306080632325
Energy: 2.3109053650836087
Energy: 2.4095702536867476
Energy: 2.2064518232675105
Energy: 2.0842187766384024
Energy: 2.206451823268209
Energy: 2.4095702536839516
Energy: 2.206451823268209
Energy: 2.328173359378153
Energy: 2.30758017159415
Energy: 2.3327686468401834
Energy: 2.3075801715822677
Energy: 2.328173359378153
Energy: 2.3075801715850632
Energy: 2.3576050734123055
Energy: 2.737243102860183
Energy: 2.4270042740040503
Energy: 2.737243102859484
Energy: 2.3576050734102085
Energy: 2.737243102860882
Energy: 2.1511547972730782
Energy: 2.366622437553948
Energy: 2.8787762968261132
Energy: 2.366622437553948
Energy: 2.1511547972758738
Energy: 2.366622437553948
Energy: 2.1270484650370447
Energy: 2.4554755369315933
Energy: 2.1368622799535295
Energy: 2.4554755369322927
Energy: 2.1270484650363457
Energy: 2.4554755369350882
Energy: 2.730519110666399
Energy: 2.749441643866255
Energy: 2.322646023484539
Energy: 2.749441643866255
Energy: 2.7305191106670983
Energy: 2.749441643865556
Energy: 2.8552893487393587
Energy: 2.366333476464209
Energy: 2.1381239807809194
Energy: 2.3663334764635096
Energy: 2.8552893487393587
Energy: 2.366333476464209
Energy: 2.12552532538854
Energy: 2.4950367308945807
Energy: 2.13752794259707
Energy: 2.4950367308945807
Energy: 2.1255253253878412
Energy: 2.4950367308945807
Energy: 2.1238111608171812
Energy: 2.629083687172583
Energy: 2.427042769004711
Energy: 2.629083687173282
Energy: 2.1238111608185792
Energy: 2.629083687173282
Energy: 2.3516776770600445
Energy: 2.4322490423550964
Energy: 2.415194669775019
Energy: 2.4322490423550964
Energy: 2.3516776770607435
Energy: 2.4322490423550964
Energy: 2.3702528053328433
Energy: 2.1560503431224087
Energy: 2.083867093580438
Energy: 2.1560503431217097
Energy: 2.3702528053328433
Energy: 2.1560503431217097
Energy: 2.3282413898629537
Energy: 2.2454569399867466
Energy: 2.081661280436478
Energy: 2.245456939984649
Energy: 2.3280757745482723
Energy: 2.24545693998395
Energy: 2.35341236520759
Energy: 2.4608377559631203
Energy: 2.426011116079581
Energy: 2.460837755963819
Energy: 2.35341236520759
Energy: 2.460837755963819
Energy: 2.1282040798024613
Energy: 2.5517088183860466
Energy: 2.4337472371613367
Energy: 2.5517088183860466
Energy: 2.1282040798024613
Energy: 2.5517088183853476
Energy: 2.149552587555655
Energy: 2.4712413612336004
Energy: 2.1378643449667405
Energy: 2.471241361232902
Energy: 2.149552587555655
Energy: 2.4712413612336004
Energy: 3.0111817805604337
Energy: 2.537889705474952
Energy: 2.129764640763663
Energy: 2.5378897054756506
Energy: 3.0111817805611327
Energy: 2.537889705474952
Energy: 2.938280707636539
Energy: 2.450031433899853
Energy: 2.3274781736583687
Energy: 2.450031433899853
Energy: 2.938280707636539
Energy: 2.450031433899853
Energy: 2.159396027992035
Energy: 2.4649141944683954
Energy: 2.1210486912830397
Energy: 2.464914194469094
Energy: 2.159396027991336
Energy: 2.464914194469094
Energy: 2.1237606443493133
Energy: 2.131863230468518
Energy: 2.8473450681025345
Energy: 2.131863230469916
Energy: 2.1237606443493133
Energy: 2.131863230468518
Energy: 2.364809923012263
Energy: 2.6036429612745584
Energy: 2.4337083962622525
Energy: 2.6036429612752574
Energy: 2.3648099230136608
Energy: 2.6036429612745584
Energy: 2.327954258318929
Energy: 2.252904373307782
Energy: 2.1722272241815035
Energy: 2.252904373307782
Energy: 2.327954258318929
Energy: 2.252904373307782
Energy: 2.3914602977224786
Energy: 2.6053436784585537
Energy: 2.0844547231356385
Energy: 2.6053436784585537
Energy: 2.3914602977231776
Energy: 2.6053436784585537
Energy: 2.3274181566284757
Energy: 2.4935447650054656
Energy: 2.9029381626719752
Energy: 2.4935447650047666
Energy: 2.3274181566291743
Energy: 2.4935447650054656
Energy: 2.3396616815003646
Energy: 2.827580829536686
Energy: 2.419048677491183
Energy: 2.8275808295373848
Energy: 2.3396616815010636
Energy: 2.827580829536686
Energy: 2.1221002946399614
Energy: 2.1334490100633565
Energy: 2.5336840785288697
Energy: 2.1334490100633565
Energy: 2.1221002946399614
Energy: 2.1334490100633565
Energy: 2.5869737903892465
Energy: 2.311076624857781
Energy: 2.1215392841552885
Energy: 2.311076624857781
Energy: 2.5869737903906445
Energy: 2.311076624857781
Energy: 2.766444399013012
Energy: 2.7975032371042716
Energy: 2.3508068184586937
Energy: 2.7975032371049706
Energy: 2.766444399013012
Energy: 2.7975032371042716
Energy: 2.878372821182359
Energy: 2.2966294639837
Energy: 2.1372522292891456
Energy: 2.2966294639837
Energy: 2.878372821182359
Energy: 2.2966294639837

minimum gb energy = 2.081661280436478 eV
minimum distance =  2.35837200879882 Angstroms
sigma value = 67


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

Energy: 2.128990670987884
Energy: 2.8922714833527956
Energy: 3.0134373163307733
Energy: 2.8922714833527956
Energy: 2.128990670986888
Energy: 2.8922714833527956
Energy: 2.813427842696015
Energy: 2.1056293338175913
Energy: 2.0633316202510223
Energy: 2.1056293338175913
Energy: 2.8134278426980077
Energy: 2.1056293338195835
Energy: 2.055142115256967
Energy: 2.21212824765699
Energy: 2.446227201940073
Energy: 2.2121282476559934
Energy: 2.055142115256967
Energy: 2.2121282476559934
Energy: 2.8730477700868264
Energy: 2.5088509808775954
Energy: 2.046788989184054
Energy: 2.5088509808765997
Energy: 2.8730477700868264
Energy: 2.5088509808765997
Energy: 2.0496866633653044
Energy: 2.7516392119404243
Energy: 2.8059936311075413
Energy: 2.751639211939428
Energy: 2.049686663366301
Energy: 2.751639211939428
Energy: 2.056632924667269
Energy: 2.6101646511622127
Energy: 2.0548283392259377
Energy: 2.610164651163209
Energy: 2.056632924668265
Energy: 2.6101646511622127
Energy: 2.083205355324044
Energy: 2.0818718032984265
Energy: 2.0602843023585957
Energy: 2.0818718032974304
Energy: 2.083205355323048
Energy: 2.081871803299422
Energy: 2.0501331019620723
Energy: 2.52591881849477
Energy: 2.7788188806253564
Energy: 2.52591881849477
Energy: 2.0501331019620723
Energy: 2.5259188184957657
Energy: 2.0609128181425125
Energy: 2.4701063539374846
Energy: 2.8146496864308954
Energy: 2.4701063539394768
Energy: 2.0609128181425125
Energy: 2.4701063539374846
Energy: 2.0554098014366726
Energy: 2.0855028663234454
Energy: 2.067427100088816
Energy: 2.085502866324441
Energy: 2.0554098014356765
Energy: 2.0855028663224493
Energy: 2.060973559808059
Energy: 2.0797851355518233
Energy: 2.0606564593583907
Energy: 2.079785135552819
Energy: 2.060973559808059
Energy: 2.079785135552819
Energy: 2.0570640460985334
Energy: 2.1786914364860004
Energy: 2.05708607024018
Energy: 2.178691436487992
Energy: 2.057064046097538
Energy: 2.1786914364860004
Energy: 2.060579723798
Energy: 2.085868726456648
Energy: 2.058433286108966
Energy: 2.0858687264556512
Energy: 2.0605797237989956
Energy: 2.0858687264556512
Energy: 2.067084687261925
Energy: 2.085411502139024
Energy: 2.0545616119795667
Energy: 2.0854115021400195
Energy: 2.067084687262921
Energy: 2.085411502139024
Energy: 2.8160458218746127
Energy: 2.470196385180459
Energy: 2.0601675288010712
Energy: 2.470196385179463
Energy: 2.8160458218736166
Energy: 2.470196385179463
Energy: 2.7736224408917076
Energy: 2.5260666096071875
Energy: 2.0501785708823066
Energy: 2.5260666096071875
Energy: 2.7736224408936994
Energy: 2.5260666096071875
Energy: 2.0602209964830984
Energy: 2.092478181654979
Energy: 2.069939337656756
Energy: 2.092478181655975
Energy: 2.0602209964821023
Energy: 2.0924781816539832
Energy: 2.0552528214338666
Energy: 2.6103749168595476
Energy: 2.056651427917555
Energy: 2.6103749168605437
Energy: 2.0552528214338666
Energy: 2.6103749168605437
Energy: 2.8068655888932605
Energy: 2.7512523318424194
Energy: 2.0479108802948756
Energy: 2.7512523318434154
Energy: 2.8068655888922645
Energy: 2.7512523318434154
Energy: 2.046484639536568
Energy: 2.508994398120146
Energy: 2.873275557999037
Energy: 2.508994398120146
Energy: 2.046484639536568
Energy: 2.508994398120146
Energy: 2.4395220761056997
Energy: 2.2121282476549977
Energy: 2.0532442374487947
Energy: 2.2121282476549977
Energy: 2.439522076106696
Energy: 2.2121282476549977
Energy: 2.06335041085822
Energy: 2.1055737142014808
Energy: 2.82693575106413
Energy: 2.1055737142004847
Energy: 2.06335041085822
Energy: 2.1055737142014808
Energy: 2.4857736721771264
Energy: 2.8922714833537917
Energy: 2.128990670986888
Energy: 2.8922714833527956
Energy: 2.4857736721781225
Energy: 2.8922714833527956

minimum gb energy = 2.046484639536568 eV
minimum distance =  2.46832121029783 Angstroms
sigma value = 33


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

Energy: 2.4566875549655185
Energy: 2.231276367335472
Energy: 2.921369671296985
Energy: 2.231276367338
Energy: 2.456687554964887
Energy: 2.231276367336104
Energy: 2.842239554800237
Energy: 2.352094395849185
Energy: 1.9960698068109628
Energy: 2.352094395850449
Energy: 2.842239554799605
Energy: 2.352094395849817
Energy: 2.0031417745298894
Energy: 2.0649171201753305
Energy: 2.6539497085077426
Energy: 2.0649171201765943
Energy: 2.0031417745298894
Energy: 2.0649171201765943
Energy: 2.05335222622147
Energy: 2.32967810596577
Energy: 2.050078845224075
Energy: 2.329678105963875
Energy: 2.05335222622147
Energy: 2.32967810596577
Energy: 2.3952577838185753
Energy: 2.5330185451920153
Energy: 2.349765057262331
Energy: 2.533018545195174
Energy: 2.3952577838198392
Energy: 2.5330185451920153
Energy: 2.3970584769958796
Energy: 2.4037204089468225
Energy: 2.0041175814126286
Energy: 2.4037204089474544
Energy: 2.3970584769933523
Energy: 2.403720408948718
Energy: 1.9647737870230164
Energy: 2.0135234608044894
Energy: 2.0196682942732425
Energy: 2.0135234608044894
Energy: 1.96477378702428
Energy: 2.0135234608057533
Energy: 1.9717189612610355
Energy: 2.5378797455065567
Energy: 2.38509709900104
Energy: 2.5378797455059248
Energy: 1.9717189612604036
Energy: 2.5378797455065567
Energy: 2.365294426747971
Energy: 2.3197742624672206
Energy: 2.3973759201659997
Energy: 2.319774262471643
Energy: 2.365294426747971
Energy: 2.3197742624665887
Energy: 2.048630414036072
Energy: 2.279554420320489
Energy: 1.965385086484999
Energy: 2.279554420320489
Energy: 2.048630414034176
Energy: 2.279554420320489
Energy: 2.0065687561213235
Energy: 2.181837856338197
Energy: 1.9755910038662778
Energy: 2.181837856342563
Energy: 2.0065687561200596
Energy: 2.181837856340093
Energy: 2.0080679587529313
Energy: 2.1206299990078286
Energy: 2.875706863213234
Energy: 2.1206299990065647
Energy: 2.008067958753563
Energy: 2.1206299990078286
Energy: 2.3493526207826867
Energy: 2.601289541044719
Energy: 2.4986825469203655
Energy: 2.601289541045351
Energy: 2.3493526207814237
Energy: 2.601289541045351
Energy: 1.9957567028554402
Energy: 2.3559948307682728
Energy: 1.9801227006452176
Energy: 2.3559948307708005
Energy: 1.9957567028548089
Energy: 2.3559948307695366
Energy: 2.515166850766166
Energy: 2.0526723025523252
Energy: 1.997781613317003
Energy: 2.0526723025516933
Energy: 2.5151668507699574
Energy: 2.0526723025516933
Energy: 2.0519623757061907
Energy: 2.3268963792329194
Energy: 2.8675715296082975
Energy: 2.3268963792316555
Energy: 2.0519623757068226
Energy: 2.326896379230392
Energy: 2.896400109499371
Energy: 2.11929132946714
Energy: 2.382561145359656
Energy: 2.119291329465244
Energy: 2.8964001094987393
Energy: 2.1192913294639806
Energy: 1.9685523242531862
Energy: 1.9979371038455247
Energy: 2.667954038286459
Energy: 1.9979371038455247
Energy: 1.9685523242525544
Energy: 1.9979371038461564
Energy: 2.175862807095225
Energy: 2.0107783501100305
Energy: 1.971411680416276
Energy: 2.0107783501093985
Energy: 2.1758628070958568
Energy: 2.0107783501106624
Energy: 2.3848293529993536
Energy: 2.541871173786525
Energy: 1.989992487380411
Energy: 2.5418711737858932
Energy: 2.3848293529999856
Energy: 2.5418711737858932
Energy: 2.80996515391794
Energy: 2.339823930064254
Energy: 2.0469543186464145
Energy: 2.339823930064254
Energy: 2.80996515391794
Energy: 2.339823930064886
Energy: 2.0077037444327153
Energy: 2.354001125382788
Energy: 2.3503166294855546
Energy: 2.354001125382156
Energy: 2.0077037444327153
Energy: 2.354001125382788
Energy: 1.9888302193057494
Energy: 2.4799433870902217
Energy: 1.9971167187175791
Energy: 2.479943387092749
Energy: 1.9888302193063807
Energy: 2.4799433870902217
Energy: 2.4983665643003996
Energy: 2.2945952827611644
Energy: 2.008958739445676
Energy: 2.2945952827611644
Energy: 2.4983665642997677
Energy: 2.2945952827617964
Energy: 2.8700475193043973
Energy: 2.11475894216326
Energy: 2.006951667452408
Energy: 2.114758942162628
Energy: 2.8700475193043973
Energy: 2.114758942162628
Energy: 1.9742325448846947
Energy: 2.6180963335061
Energy: 2.0071707943046806
Energy: 2.6180963335061
Energy: 1.9742325448853264
Energy: 2.618096333506732
Energy: 1.9760020861197847
Energy: 2.013159992459212
Energy: 2.3653644907618623
Energy: 2.013159992459212
Energy: 1.9760020861210486
Energy: 2.013159992459844
Energy: 2.39675481542789
Energy: 2.287636405569173
Energy: 2.0486688595679134
Energy: 2.287636405569173
Energy: 2.3967548154304175
Energy: 2.2876364055698044
Energy: 2.395441090213495
Energy: 2.532246676260648
Energy: 1.9717234220744306
Energy: 2.532246676260648
Energy: 2.3954410902141268
Energy: 2.532246676260648
Energy: 2.024814633424884
Energy: 2.008731957409178
Energy: 1.9740371088847308
Energy: 2.008731957409178
Energy: 2.0248146334255157
Energy: 2.00873195740981
Energy: 1.9690763571297714
Energy: 2.3172753640878336
Energy: 2.832803828674897
Energy: 2.3172753640865698
Energy: 1.9690763571304033
Energy: 2.3172753640853063
Energy: 2.349631977438136
Energy: 2.9211201865494396
Energy: 2.3843486791655457
Energy: 2.9211201865494396
Energy: 2.3496319774406627
Energy: 2.9211201865500716
Energy: 2.00258816943437
Energy: 2.3253115962824578
Energy: 2.643288867511245
Energy: 2.325311596279299
Energy: 2.00258816943437
Energy: 2.325311596279931
Energy: 2.7757714448271065
Energy: 2.0600815101847267
Energy: 2.0023379289013303
Energy: 2.0600815101809355
Energy: 2.775771444829634
Energy: 2.060081510183463
Energy: 1.9643931028979553
Energy: 2.351586104597849
Energy: 2.618552947909388
Energy: 2.3515861045972173
Energy: 1.9643931028973234
Energy: 2.3515861045972173
Energy: 2.3497390724696023
Energy: 2.6327973364836343
Energy: 2.49251442942259
Energy: 2.6327973364842663
Energy: 2.349739072471498
Energy: 2.6327973364842663
Energy: 1.9970746310884142
Energy: 2.602234640831663
Energy: 2.8747085212775105
Energy: 2.602234640824081
Energy: 1.9970746310846232
Energy: 2.602234640823449

minimum gb energy = 1.9643931028973234 eV
minimum distance =  2.34973035062637 Angstroms
sigma value = 41


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

Energy: 1.7402935236224144
Energy: 1.6863481543292322
Energy: 2.8922304451630763
Energy: 1.6863481543292322
Energy: 1.7402935236224144
Energy: 1.6863481543292322
Energy: 2.777498539561251
Energy: 1.609889887872567
Energy: 1.6019742508349586
Energy: 1.6098898878708419
Energy: 2.777498539562976
Energy: 1.6098898878708419
Energy: 1.7409927010656214
Energy: 1.8487184467081839
Energy: 1.602751684901713
Energy: 1.8487184466702318
Energy: 1.7409927010656214
Energy: 1.8487184466581559
Energy: 2.7335145861278805
Energy: 1.6128317044928788
Energy: 1.6022901797826017
Energy: 1.6128317044928788
Energy: 2.7335145861278805
Energy: 1.612831704494604
Energy: 1.7317428120745475
Energy: 2.304058036899924
Energy: 1.6021649917006269
Energy: 2.3040580368981987
Energy: 1.7317428120745475
Energy: 2.3040580368981987
Energy: 1.7319988505586785
Energy: 1.7446942401539807
Energy: 1.6132889382738465
Energy: 1.7446942401539807
Energy: 1.7319988505604038
Energy: 1.7446942401539807
Energy: 2.7405373306639937
Energy: 1.6127612264606646
Energy: 1.6023478224531018
Energy: 1.6127612264623894
Energy: 2.7405373306639937
Energy: 1.6127612264606646
Energy: 1.7449113809783952
Energy: 1.6120097564368698
Energy: 1.613205723123825
Energy: 1.6120097564368698
Energy: 1.7449113809783952
Energy: 1.6120097564368698
Energy: 2.669535405233689
Energy: 1.7421049769511794
Energy: 1.6023042451873513
Energy: 1.7421049769494543
Energy: 2.669535405233689
Energy: 1.7421049769511794
Energy: 1.7459531221675522
Energy: 2.301583026155417
Energy: 1.602887768156255
Energy: 2.301583026157142
Energy: 1.7459531221675522
Energy: 2.301583026155417
Energy: 2.637903961643983
Energy: 1.6141642150539397
Energy: 1.6101144251716382
Energy: 1.6141642150539397
Energy: 2.6379039616457085
Energy: 1.6141642150539397
Energy: 1.7748655295211282
Energy: 2.0974646462446795
Energy: 2.6746445898842888
Energy: 2.0974646462446795
Energy: 1.7748655295211282
Energy: 2.09746464625158
Energy: 2.6377195027394973
Energy: 1.6145224052973275
Energy: 1.6101086295191434
Energy: 1.6145224052973275
Energy: 2.6377195027394973
Energy: 1.6145224052956024
Energy: 1.7449728164965421
Energy: 2.3054998695545836
Energy: 1.603505911469379
Energy: 2.3054998695545836
Energy: 1.7449728164965421
Energy: 2.305499869556309

minimum gb energy = 1.6019742508349586 eV
minimum distance =  2.43600936770201 Angstroms
sigma value = 11


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

Energy: 2.8125299001192916
Energy: 2.310092323419003
Energy: 2.7884879793194433
Energy: 2.310092323418245
Energy: 2.8125299001192916
Energy: 2.310092323418245
Energy: 2.5081466740257414
Energy: 2.731561125364917
Energy: 2.2473619143418735
Energy: 2.731561125364917
Energy: 2.508146674028773
Energy: 2.7315611253641587
Energy: 2.103557567533072
Energy: 2.1053105672217374
Energy: 2.22946375561919
Energy: 2.1053105672224954
Energy: 2.103557567533072
Energy: 2.1053105672217374
Energy: 2.0926004495463273
Energy: 2.253145105114845
Energy: 2.0846483487504415
Energy: 2.253145105114087
Energy: 2.0926004495455697
Energy: 2.253145105114845
Energy: 2.4741513247800055
Energy: 2.4640018887509414
Energy: 2.165713088128685
Energy: 2.4640018887509414
Energy: 2.474151324780763
Energy: 2.4640018887509414
Energy: 2.338713576787268
Energy: 2.31594503109566
Energy: 2.4953992047759983
Energy: 2.3159450310964176
Energy: 2.3387135767880256
Energy: 2.3159450310964176
Energy: 2.1761705496351387
Energy: 2.489764201255756
Energy: 2.3225721886998842
Energy: 2.489764201255756
Energy: 2.1761705496358963
Energy: 2.489764201255756
Energy: 2.0870017179864724
Energy: 2.269191829519755
Energy: 2.161088655330683
Energy: 2.269191829519755
Energy: 2.0870017179864724
Energy: 2.269191829519755
Energy: 2.5089662877377363
Energy: 2.2808704274344818
Energy: 2.144488064300937
Energy: 2.2808704274344818
Energy: 2.5089662877384944
Energy: 2.2808704274337237
Energy: 2.224565657160496
Energy: 2.417578515125311
Energy: 2.378461300970365
Energy: 2.417578515125311
Energy: 2.2245656571612535
Energy: 2.4175785151260687
Energy: 2.4023578570286226
Energy: 2.045641037192868
Energy: 2.6468908354057086
Energy: 2.045641037192868
Energy: 2.402357857027865
Energy: 2.0456410371921105
Energy: 2.224067642366872
Energy: 2.4514275244739663
Energy: 2.419337552763061
Energy: 2.451427524473208
Energy: 2.224067642366114
Energy: 2.451427524473208
Energy: 2.2535046065401367
Energy: 2.127980322293585
Energy: 2.3174207609602644
Energy: 2.1279803222943428
Energy: 2.2535046065408944
Energy: 2.127980322293585
Energy: 2.125809180787403
Energy: 2.322087919052974
Energy: 2.061061528655212
Energy: 2.322087919052974
Energy: 2.125809180787403
Energy: 2.3220879190522155
Energy: 2.112760451673032
Energy: 2.6217636349338167
Energy: 2.7065474611579656
Energy: 2.6217636349338167
Energy: 2.1127604516715164
Energy: 2.6217636349338167
Energy: 2.694718690221973
Energy: 2.488980916698263
Energy: 2.323236973848199
Energy: 2.4889809166997785
Energy: 2.694718690221215
Energy: 2.488980916697505
Energy: 2.3221436634889576
Energy: 2.622767603184559
Energy: 2.4825990377830958
Energy: 2.622767603184559
Energy: 2.322143663487442
Energy: 2.622767603184559
Energy: 2.48922677423948
Energy: 2.389214877559361
Energy: 2.129018592202568
Energy: 2.389214877560119
Energy: 2.489226774240238
Energy: 2.389214877560119
Energy: 2.0738410907506184
Energy: 2.316401855678225
Energy: 2.201254337559292
Energy: 2.316401855678983
Energy: 2.073841090751376
Energy: 2.316401855678225
Energy: 2.1250228543331637
Energy: 2.133111612390942
Energy: 2.2314567699375134
Energy: 2.1331116123894263
Energy: 2.1250228543339222
Energy: 2.1331116123917
Energy: 2.6510483776739378
Energy: 2.5510276048075426
Energy: 2.246702315429963
Energy: 2.5510276048083007
Energy: 2.6510483776739378
Energy: 2.5510276048067846
Energy: 2.7531623303740735
Energy: 2.4410047648012965
Energy: 2.596681351239793
Energy: 2.441004764802812
Energy: 2.753162330373316
Energy: 2.4410047648012965
Energy: 2.3885769308250855
Energy: 2.555461157780855
Energy: 2.224041188980205
Energy: 2.555461157780855
Energy: 2.3885769308235703
Energy: 2.555461157780855
Energy: 2.1367361895114336
Energy: 2.1692614129825323
Energy: 2.6069744633580596
Energy: 2.16926141298329
Energy: 2.1367361895121912
Energy: 2.1692614129825323
Energy: 2.237143089540124
Energy: 2.2515287564144955
Energy: 2.0950940438828254
Energy: 2.2515287564152535
Energy: 2.237143089540881
Energy: 2.2515287564144955
Energy: 2.322018448862411
Energy: 2.459438812112569
Energy: 2.166309340151625
Energy: 2.459438812112569
Energy: 2.322018448862411
Energy: 2.459438812112569
Energy: 2.4927338703210444
Energy: 2.435127994003142
Energy: 2.4741226816299062
Energy: 2.4351279940039
Energy: 2.492733870320287
Energy: 2.435127994003142
Energy: 2.1662928555303798
Energy: 2.493248992296666
Energy: 2.3390089833230365
Energy: 2.493248992296666
Energy: 2.1662928555303798
Energy: 2.493248992296666
Energy: 2.09438438459094
Energy: 2.252415266414669
Energy: 2.0975479962936263
Energy: 2.252415266413911
Energy: 2.09438438459094
Energy: 2.252415266413911
Energy: 2.201769191401887
Energy: 2.105037366921905
Energy: 2.1222299499882844
Energy: 2.1050373669226627
Energy: 2.201769191402644
Energy: 2.105037366921905
Energy: 2.213387449326216
Energy: 2.4601873621450503
Energy: 2.75740602657301
Energy: 2.460187362145808
Energy: 2.213387449325458
Energy: 2.460187362145808

minimum gb energy = 2.0456410371921105 eV
minimum distance =  2.39599161368004 Angstroms
sigma value = 57


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

Energy: 2.2358670520136568
Energy: 2.2998809392239057
Energy: 2.8225822108073437
Energy: 2.2998809392239057
Energy: 2.2358670520136568
Energy: 2.299880939225255
Energy: 2.2280414671206428
Energy: 2.210944374254488
Energy: 2.0885284538324
Energy: 2.210944374254488
Energy: 2.2280414671206428
Energy: 2.210944374254488
Energy: 2.2276818487409282
Energy: 2.2678723003492385
Energy: 2.0890159433751663
Energy: 2.2678723003492385
Energy: 2.2276818487409282
Energy: 2.2678723003492385
Energy: 2.1459619349310253
Energy: 2.5176125495246344
Energy: 2.148969900999334
Energy: 2.5176125495246344
Energy: 2.145961934904054
Energy: 2.5176125495246344
Energy: 2.0889508946127964
Energy: 2.267752282181079
Energy: 2.227490064099129
Energy: 2.267752282181079
Energy: 2.0889508946127964
Energy: 2.267752282181079
Energy: 2.141593665093656
Energy: 2.2103309195011605
Energy: 2.2281853520332833
Energy: 2.2103309194998118
Energy: 2.1415936650909586
Energy: 2.2103309194998118
Energy: 2.8225822108100407
Energy: 2.2998809392239057
Energy: 2.2358670520123387
Energy: 2.2998809392239057
Energy: 2.8225822108100407
Energy: 2.2998809392239057
Energy: 2.0885284538270055
Energy: 2.4348778469496115
Energy: 2.2280414671206428
Energy: 2.4348778469496115
Energy: 2.088528453829703
Energy: 2.4348778469496115
Energy: 2.0890159433751663
Energy: 2.267872300350587
Energy: 2.227681848742277
Energy: 2.267872300350587
Energy: 2.0890159433751663
Energy: 2.2678723003492385
Energy: 2.148969900999334
Energy: 2.413008069544074
Energy: 2.1459619349215857
Energy: 2.413008069542726
Energy: 2.148969900999334
Energy: 2.413008069540029
Energy: 2.227490064099129
Energy: 2.267752282181079
Energy: 2.0889508946127964
Energy: 2.267752282181079
Energy: 2.227490064097781
Energy: 2.267752282181079
Energy: 2.2281853520359807
Energy: 2.2103309195011605
Energy: 2.1415936650923078
Energy: 2.2103309194998118
Energy: 2.2281853520359807
Energy: 2.2103309194998118
Energy: 2.2358670520123387
Energy: 2.2998809392239057
Energy: 2.7147758655491505
Energy: 2.2998809392239057
Energy: 2.2358670520136568
Energy: 2.2998809392239057
Energy: 2.2280414671206428
Energy: 2.3630289515953944
Energy: 2.088528453829703
Energy: 2.3630289515953944
Energy: 2.228041467119294
Energy: 2.3630289515953944
Energy: 2.2276818487409282
Energy: 2.267872300350587
Energy: 2.0890159433751663
Energy: 2.2678723003492385
Energy: 2.2276818487409282
Energy: 2.2678723003492385
Energy: 2.145961934944511
Energy: 2.413008069541377
Energy: 2.148969901000682
Energy: 2.413008069542726
Energy: 2.145961934815109
Energy: 2.413008069542726
Energy: 2.0889508946127964
Energy: 2.267752282181079
Energy: 2.227490064099129
Energy: 2.267752282181079
Energy: 2.0889508946127964
Energy: 2.2677522821824283

minimum gb energy = 2.0885284538270055 eV
minimum distance =  2.41916927703947 Angstroms
sigma value = 9


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

Energy: 2.4411379463202882
Energy: 2.549454166738114
Energy: 2.686635297137895
Energy: 2.549454166738114
Energy: 2.441137946321389
Energy: 2.549454166738114
Energy: 2.6326306215902973
Energy: 2.475848432062924
Energy: 2.276251441003491
Energy: 2.4758484320618233
Energy: 2.632630621589196
Energy: 2.4758484320618233
Energy: 2.28573568277562
Energy: 2.46219601522262
Energy: 2.271951247318673
Energy: 2.46219601522262
Energy: 2.285735682774519
Energy: 2.46219601522262
Energy: 2.260791872302014
Energy: 2.4513322638367097
Energy: 2.421932593730275
Energy: 2.451332263838912
Energy: 2.260791872302014
Energy: 2.451332263837811
Energy: 2.394611811937116
Energy: 2.5520157393542178
Energy: 2.2980751639514425
Energy: 2.5520157393542178
Energy: 2.394611811937116
Energy: 2.5520157393553187
Energy: 2.2608882050976304
Energy: 2.408568183635753
Energy: 2.501031533987522
Energy: 2.408568183634652
Energy: 2.2608882050976304
Energy: 2.4085681836368544
Energy: 2.2503105488149404
Energy: 2.4995171487043
Energy: 2.276656737467046
Energy: 2.4995171487043
Energy: 2.25031054881384
Energy: 2.4995171487043
Energy: 2.4003096630115346
Energy: 2.4692620286898306
Energy: 2.294670497948177
Energy: 2.4692620286909315
Energy: 2.4003096630115346
Energy: 2.4692620286909315
Energy: 2.5123400549161934
Energy: 2.533262426084746
Energy: 2.368798034433321
Energy: 2.533262426084746
Energy: 2.5123400549161934
Energy: 2.533262426084746
Energy: 2.5739792623228324
Energy: 2.499036800862385
Energy: 2.288918260184921
Energy: 2.499036800862385
Energy: 2.5739792623228324
Energy: 2.499036800862385
Energy: 2.2768279129421947
Energy: 2.3469703994151714
Energy: 2.3778058637351607
Energy: 2.3469703994151714
Energy: 2.276827912939993
Energy: 2.3469703994151714
Energy: 2.2535137408004378
Energy: 2.3825087142009127
Energy: 2.4419933620294123
Energy: 2.3825087142009127
Energy: 2.253513740798235
Energy: 2.3825087142009127
Energy: 2.239130802409713
Energy: 2.383981899406712
Energy: 2.427642931273388
Energy: 2.383981899406712
Energy: 2.2391308024108145
Energy: 2.383981899407813
Energy: 2.2388490177319427
Energy: 2.443776310976026
Energy: 2.3623882041358377
Energy: 2.443776310976026
Energy: 2.2388490177319427
Energy: 2.443776310976026
Energy: 2.58035849984886
Energy: 2.4912365896767263
Energy: 2.2851075799195164
Energy: 2.4912365896767263
Energy: 2.580358499847759
Energy: 2.4912365896756254
Energy: 2.3933486306780667
Energy: 2.4800408726018186
Energy: 2.3874596451506345
Energy: 2.4800408726029195
Energy: 2.393348630676966
Energy: 2.4800408726018186
Energy: 2.393408244572266
Energy: 2.4361947135212128
Energy: 2.3822804395010158
Energy: 2.4361947135223136
Energy: 2.393408244572266
Energy: 2.4361947135223136
Energy: 2.409158072855091
Energy: 2.5058416208184853
Energy: 2.2878874012130743
Energy: 2.5058416208184853
Energy: 2.409158072855091
Energy: 2.5058416208184853
Energy: 2.261112314855935
Energy: 2.451789127378668
Energy: 2.384347829939408
Energy: 2.451789127378668
Energy: 2.261112314855935
Energy: 2.451789127378668
Energy: 2.236966262511083
Energy: 2.5522325192840962
Energy: 2.3164186228849077
Energy: 2.5522325192840962
Energy: 2.236966262511083
Energy: 2.5522325192840962
Energy: 2.2610091156990175
Energy: 2.383929435699563
Energy: 2.427690421946122
Energy: 2.3839294357006637
Energy: 2.2610091156990175
Energy: 2.3839294357006637

minimum gb energy = 2.236966262511083 eV
minimum distance =  2.39792398944281 Angstroms
sigma value = 27


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

Energy: 2.5109525512379838
Energy: 2.562128113661338
Energy: 2.6221359185081043
Energy: 2.562128113661338
Energy: 2.5109525512370556
Energy: 2.5621281136604104
Energy: 2.420677089838369
Energy: 2.5619650290018625
Energy: 2.4435376661457524
Energy: 2.5619650290009344
Energy: 2.420677089838369
Energy: 2.5619650290018625
Energy: 2.3654260146442123
Energy: 2.5211988270487007
Energy: 2.443555883078531
Energy: 2.5211988270459167
Energy: 2.365426014643284
Energy: 2.5211988270487007
Energy: 2.3598539884578575
Energy: 2.357013361334123
Energy: 2.349855327815312
Energy: 2.357013361334123
Energy: 2.3598539884578575
Energy: 2.357013361334123
Energy: 2.3703526030739854
Energy: 2.5834976871941318
Energy: 2.347955849545849
Energy: 2.5834976871941318
Energy: 2.3703526030739854
Energy: 2.58349768719506
Energy: 2.313357671045675
Energy: 2.4827537579353782
Energy: 2.332132939557945
Energy: 2.4827537579344505
Energy: 2.313357671045675
Energy: 2.4827537579353782
Energy: 2.3994437650567337
Energy: 2.3924342882867804
Energy: 2.3322349027060243
Energy: 2.3924342882858523
Energy: 2.399443765057662
Energy: 2.3924342882867804
Energy: 2.388683183946237
Energy: 2.362591120232059
Energy: 2.3326739485756374
Energy: 2.362591120232059
Energy: 2.3886831839471645
Energy: 2.3625911202329877
Energy: 2.348460628074248
Energy: 2.3575796231174433
Energy: 2.6670476565883727
Energy: 2.3575796231174433
Energy: 2.348460628074248
Energy: 2.3575796231165147
Energy: 2.3884717315062085
Energy: 2.5788958237281117
Energy: 2.5404025221574478
Energy: 2.5788958237271835
Energy: 2.3884717315062085
Energy: 2.5788958237281117
Energy: 2.3885332684465728
Energy: 2.5788927452978894
Energy: 2.540377123215443
Energy: 2.5788927452978894
Energy: 2.3885332684465728
Energy: 2.5788927452978894
Energy: 2.348451443529104
Energy: 2.357546149068867
Energy: 2.6668052111142555
Energy: 2.3575461490679386
Energy: 2.348451443529104
Energy: 2.3575461490679386
Energy: 2.3886605454435084
Energy: 2.3628863972108975
Energy: 2.332549987755003
Energy: 2.362886397206257
Energy: 2.3886605454425807
Energy: 2.362886397208113
Energy: 2.3994854186762193
Energy: 2.39244034100753
Energy: 2.332155932669416
Energy: 2.39244034100753
Energy: 2.3994854186771466
Energy: 2.392440341009386
Energy: 2.31338092744856
Energy: 2.4738954985987593
Energy: 2.410371377968074
Energy: 2.4738954985987593
Energy: 2.31338092744856
Energy: 2.473895498597831
Energy: 2.3684622258716694
Energy: 2.58349768719506
Energy: 2.528764026105115
Energy: 2.58349768719506
Energy: 2.3684622258716694
Energy: 2.5834976871941318
Energy: 2.3597941757353573
Energy: 2.3569943147568395
Energy: 2.3338022553648243
Energy: 2.3569943147568395
Energy: 2.3597941757353573
Energy: 2.3569943147568395
Energy: 2.3652803687026234
Energy: 2.521237941906541
Energy: 2.4436098218871187
Energy: 2.521237941907469
Energy: 2.3652803687026234
Energy: 2.521237941907469
Energy: 2.420677872976301
Energy: 2.5603285096366637
Energy: 2.4435250724750346
Energy: 2.5603285096357355
Energy: 2.420677872976301
Energy: 2.5603285096338797
Energy: 2.5109525512370556
Energy: 2.562128113661338
Energy: 2.4181915084861583
Energy: 2.5621281136604104
Energy: 2.5109525512370556
Energy: 2.562128113661338
Energy: 2.420677089838369
Energy: 2.5619650290009344
Energy: 2.4435376661466806
Energy: 2.5619650290009344
Energy: 2.420677089838369
Energy: 2.5619650290009344
Energy: 2.365426014643284
Energy: 2.5211988270487007
Energy: 2.443555883078531
Energy: 2.5211988270496293
Energy: 2.365426014643284
Energy: 2.5211988270487007
Energy: 2.359853988455073
Energy: 2.357013361334123
Energy: 2.3498553278143848
Energy: 2.357013361334123
Energy: 2.359853988456001
Energy: 2.357013361334123
Energy: 2.3703526030739854
Energy: 2.58349768719506
Energy: 2.347955849558843
Energy: 2.58349768719506
Energy: 2.370352603075842
Energy: 2.58349768719506
Energy: 2.313357671045675
Energy: 2.4827537579353782
Energy: 2.3321329395588735
Energy: 2.4827537579353782
Energy: 2.313357671045675
Energy: 2.482753757936307

minimum gb energy = 2.313357671045675 eV
minimum distance =  2.43004706686846 Angstroms
sigma value = 19


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

Energy: 2.5335979467672196
Energy: 2.498540286637138
Energy: 2.9427805207531224
Energy: 2.498540286634734
Energy: 2.5335979467672196
Energy: 2.498540286636336
Energy: 2.377455902945163
Energy: 2.5412037285843274
Energy: 2.2676686452076873
Energy: 2.5412037285859297
Energy: 2.377455902945163
Energy: 2.541203728585129
Energy: 2.259195988894872
Energy: 2.376038004599558
Energy: 2.2675245125331727
Energy: 2.376038004599558
Energy: 2.2591959888932696
Energy: 2.376038004598757
Energy: 2.325858775969228
Energy: 2.3203693392052274
Energy: 2.274759882127569
Energy: 2.3203693392052274
Energy: 2.325858775969228
Energy: 2.3203693392052274
Energy: 2.305462191434404
Energy: 2.3610817017140153
Energy: 2.2057561096510936
Energy: 2.3610817017140153
Energy: 2.305462191435205
Energy: 2.3610817017140153
Energy: 2.2843113652566154
Energy: 2.3318116614559483
Energy: 2.3738012006027067
Energy: 2.3318116614559483
Energy: 2.2843113652558147
Energy: 2.3318116614559483
Energy: 2.3656896052341967
Energy: 2.437331175549563
Energy: 2.2950135262173967
Energy: 2.437331175549563
Energy: 2.3656896052341967
Energy: 2.4373311755487617
Energy: 2.3052678498854817
Energy: 2.326782295400508
Energy: 2.373725930794699
Energy: 2.3267822954013093
Energy: 2.3052678498854817
Energy: 2.326782295400508
Energy: 2.3069148924973835
Energy: 2.3179645987021518
Energy: 2.2889167472893845
Energy: 2.3179645987021518
Energy: 2.3069148924981846
Energy: 2.3179645987021518
Energy: 2.3060621053454304
Energy: 2.326278602780492
Energy: 2.3705693969406934
Energy: 2.326278602780492
Energy: 2.3060621053454304
Energy: 2.326278602779691
Energy: 2.377412366393052
Energy: 2.332150017580684
Energy: 2.2686632140613137
Energy: 2.332150017580684
Energy: 2.377412366393052
Energy: 2.332150017579883
Energy: 2.583499477445115
Energy: 2.5765935220848237
Energy: 2.373165859316488
Energy: 2.5765935220848237
Energy: 2.5834994774002857
Energy: 2.5765935220840226
Energy: 2.480838822665072
Energy: 2.575572107272264
Energy: 2.3720228879882947
Energy: 2.575572107271463
Energy: 2.480838822666674
Energy: 2.575572107270662
Energy: 2.242403351439584
Energy: 2.327885144073682
Energy: 2.364646316805498
Energy: 2.327885144073682
Energy: 2.2424033514371806
Energy: 2.327885144073682
Energy: 2.356155029302174
Energy: 2.313529080744434
Energy: 2.3705015307405115
Energy: 2.313529080744434
Energy: 2.356155029302174
Energy: 2.313529080744434
Energy: 2.238507644646316
Energy: 2.3577227354088506
Energy: 2.419513280969903
Energy: 2.3577227354088506
Energy: 2.238507644646316
Energy: 2.3577227354088506
Energy: 2.2546603596541486
Energy: 2.3256061942956383
Energy: 2.293263133730354
Energy: 2.3256061942956383
Energy: 2.254660359652546
Energy: 2.3256061942956383
Energy: 2.5265851672868282
Energy: 2.5323304634364034
Energy: 2.280444097379895
Energy: 2.5323304634364034
Energy: 2.5265851672868282
Energy: 2.5323304634356023
Energy: 2.255042123626352
Energy: 2.3256852289237995
Energy: 2.293070351976525
Energy: 2.325685228924601
Energy: 2.255042123625551
Energy: 2.3256852289237995
Energy: 2.2402253673195274
Energy: 2.3576564183881326
Energy: 2.4194995933336623
Energy: 2.3576564183881326
Energy: 2.2402253673195274
Energy: 2.3576564183881326
Energy: 2.3561894466886906
Energy: 2.313500358565747
Energy: 2.3705548230641935
Energy: 2.3135003585649456
Energy: 2.3561894466894917
Energy: 2.313500358565747
Energy: 2.242144052474752
Energy: 2.3279294216357576
Energy: 2.364154061601421
Energy: 2.3279294216373603
Energy: 2.242144052475553
Energy: 2.3279294216373603
Energy: 2.4822904301054276
Energy: 2.575884558401243
Energy: 2.3721432544518484
Energy: 2.575884558402044
Energy: 2.4822904301054276
Energy: 2.575884558402044
Energy: 2.605012725486921
Energy: 2.5478817949892667
Energy: 2.3731523472590954
Energy: 2.5478817949892667
Energy: 2.605012725486921
Energy: 2.5478817949900683
Energy: 2.3771424811595594
Energy: 2.332172569680681
Energy: 2.2687025881018688
Energy: 2.332172569680681
Energy: 2.377142481160361
Energy: 2.332172569680681
Energy: 2.3061468894759294
Energy: 2.3261133336325845
Energy: 2.370527421736419
Energy: 2.326113333633386
Energy: 2.3061468894759294
Energy: 2.326113333631784
Energy: 2.3069584702322503
Energy: 2.317961226444265
Energy: 2.2889167472893845
Energy: 2.317961226444265
Energy: 2.306958470231449
Energy: 2.317961226444265
Energy: 2.3058169341611086
Energy: 2.327468448250178
Energy: 2.3736939485395565
Energy: 2.327468448250178
Energy: 2.3058169341611086
Energy: 2.327468448250178
Energy: 2.3654668597555513
Energy: 2.4373311755479605
Energy: 2.2947667144324955
Energy: 2.4373311755479605
Energy: 2.3654668597563524
Energy: 2.4373311755479605

minimum gb energy = 2.2057561096510936 eV
minimum distance =  2.44886513371626 Angstroms
sigma value = 101


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

Energy: 2.499332914730861
Energy: 2.392877768104905
Energy: 2.8301047601251006
Energy: 2.392877768104905
Energy: 2.499332914730157
Energy: 2.392877768104905
Energy: 2.3649475195442315
Energy: 2.4675339443718687
Energy: 2.3345484499464684
Energy: 2.4675339443711644
Energy: 2.364947519543527
Energy: 2.4675339443725726
Energy: 2.2060119013067
Energy: 2.3108369875703114
Energy: 2.239087644938581
Energy: 2.31083698757172
Energy: 2.2060119013052915
Energy: 2.3108369875703114
Energy: 2.3228673442391945
Energy: 2.2851249002214016
Energy: 2.238227169713376
Energy: 2.2851249002206977
Energy: 2.32286734423849
Energy: 2.2851249002192895
Energy: 2.2541303851121643
Energy: 2.393692814464751
Energy: 2.2471587848394443
Energy: 2.393692814464751
Energy: 2.2541303851121643
Energy: 2.393692814464751
Energy: 2.2479393968683414
Energy: 2.2379542206193204
Energy: 2.1983995723014966
Energy: 2.2379542206193204
Energy: 2.2479393968676376
Energy: 2.2379542206193204
Energy: 2.137082974186935
Energy: 2.3179546153019084
Energy: 2.225451916884122
Energy: 2.3179546153012036
Energy: 2.137082974186935
Energy: 2.3179546153012036
Energy: 2.1383497402321434
Energy: 2.311176459984106
Energy: 2.1596758243942014
Energy: 2.311176459984106
Energy: 2.1383497402328477
Energy: 2.3111764599834017
Energy: 2.291332596727335
Energy: 2.2361507592503114
Energy: 2.2490191357715053
Energy: 2.2361507592510157
Energy: 2.291332596727335
Energy: 2.2361507592510157
Energy: 2.301137272525913
Energy: 2.2601747131213425
Energy: 2.2537953288643893
Energy: 2.260174713122047
Energy: 2.301137272526617
Energy: 2.2601747131206382
Energy: 2.1765064984943785
Energy: 2.230044933146863
Energy: 2.265714156031689
Energy: 2.230044933146863
Energy: 2.1765064984950833
Energy: 2.230044933146863
Energy: 2.334270374437457
Energy: 2.317716552642732
Energy: 2.254610904517673
Energy: 2.3177165526420276
Energy: 2.3342703744360485
Energy: 2.3177165526413237
Energy: 2.239212806370557
Energy: 2.310522905246957
Energy: 2.3867693928611264
Energy: 2.3105229052448437
Energy: 2.2392128063698524
Energy: 2.3105229052448437
Energy: 2.3490640289614366
Energy: 2.509681312049657
Energy: 2.3029807535618563
Energy: 2.509681312050361
Energy: 2.3490640289614366
Energy: 2.5096813120510655
Energy: 2.2854903400950963
Energy: 2.3768426639655496
Energy: 2.365232136493452
Energy: 2.3768426639655496
Energy: 2.2854903400943924
Energy: 2.3768426639655496
Energy: 2.3289226343550085
Energy: 2.3116379375076153
Energy: 2.2667610512141567
Energy: 2.3116379375076153
Energy: 2.3289226343564167
Energy: 2.311637937509024
Energy: 2.286240777052847
Energy: 2.2932816275409036
Energy: 2.161592247161771
Energy: 2.293281627541608
Energy: 2.286240777054255
Energy: 2.293281627542312
Energy: 2.179442021529585
Energy: 2.282697817614659
Energy: 2.2541919799370667
Energy: 2.2826978176174757
Energy: 2.179442021529585
Energy: 2.2826978176174757
Energy: 2.1967002019860935
Energy: 2.2359394934846493
Energy: 2.1978381466780124
Energy: 2.235939493483945
Energy: 2.1967002019853887
Energy: 2.2359394934846493
Energy: 2.2252623487577896
Energy: 2.3214011265909082
Energy: 2.30736866127771
Energy: 2.321401126590204
Energy: 2.2252623487577896
Energy: 2.3214011265909082
Energy: 2.1440131518874557
Energy: 2.3290491674245986
Energy: 2.1260397121600905
Energy: 2.3290491674253033
Energy: 2.1440131518867513
Energy: 2.3290491674245986
Energy: 2.2820071497515704
Energy: 2.2842546137777955
Energy: 2.2858547029861223
Energy: 2.2842546137777955
Energy: 2.2820071497522747
Energy: 2.2842546137777955
Energy: 2.2061743795874307
Energy: 2.233931672105877
Energy: 2.291551520702075
Energy: 2.233931672105877
Energy: 2.2061743795881346
Energy: 2.233931672105877
Energy: 2.323236002291795
Energy: 2.3056166936063245
Energy: 2.1788031796581735
Energy: 2.3056166936063245
Energy: 2.323236002291795
Energy: 2.3056166936056197
Energy: 2.2543728913254824
Energy: 2.4648472232651284
Energy: 2.2870658469323537
Energy: 2.4648472232644236
Energy: 2.2543728913254824
Energy: 2.4648472232644236
Energy: 2.412142442831319
Energy: 2.3120255499679176
Energy: 2.329133734468488
Energy: 2.3120255499700306
Energy: 2.412142442831319
Energy: 2.3120255499693263
Energy: 2.301205629866386
Energy: 2.510658804591929
Energy: 2.2865031978434502
Energy: 2.510658804597563
Energy: 2.3012056298670904
Energy: 2.5106588045933376
Energy: 2.3645258780402507
Energy: 2.5074338749666483
Energy: 2.2877924076878204
Energy: 2.507433874968761
Energy: 2.3645258780388425
Energy: 2.5074338749652396
Energy: 2.4414068328608107
Energy: 2.317771243438603
Energy: 2.330691102465147
Energy: 2.317771243439308
Energy: 2.441406832861515
Energy: 2.317771243439308
Energy: 2.2541138334260986
Energy: 2.302101868678818
Energy: 2.2877537662595167
Energy: 2.302101868678818
Energy: 2.2541138334260986
Energy: 2.302101868678818
Energy: 2.1610058005264423
Energy: 2.291782049838312
Energy: 2.166818657918408
Energy: 2.2917820498376082
Energy: 2.1610058005271466
Energy: 2.2917820498376082
Energy: 2.2703776674908887
Energy: 2.2337897736368673
Energy: 2.177690597596801
Energy: 2.2337897736368673
Energy: 2.2703776674908887
Energy: 2.2337897736368673
Energy: 2.3987446615641748
Energy: 2.487242013234239
Energy: 2.2483410132267356
Energy: 2.4872420132349435
Energy: 2.3987446615634704
Energy: 2.487242013234239

minimum gb energy = 2.1260397121600905 eV
minimum distance =  2.40320248113001 Angstroms
sigma value = 33


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

Energy: 0.019693269917971237
Energy: 0.02005384283066783
Energy: 2.488858651609585
Energy: 0.020053842831252985
Energy: 0.019693269917971237
Energy: 0.02005384283066783
Energy: 0.020190578390090537
Energy: 1.1958115807305072
Energy: 0.020190578390090537
Energy: 1.1958115807310923
Energy: 0.020190578390090537
Energy: 1.1958115807310923
Energy: 2.4888586516101707
Energy: 0.02005384283183814
Energy: 0.019693269917971237
Energy: 0.020053842831252985
Energy: 2.4888586516101707
Energy: 0.02005384283066783
Energy: 0.02019057839067569
Energy: 1.1958115807310923
Energy: 0.02019057839067569
Energy: 1.1958115807310923
Energy: 0.020190578390090537
Energy: 1.1958115807310923

minimum gb energy = 0.019693269917971237 eV
minimum distance =  2.71195198858572 Angstroms
sigma value = 1