Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1435002833604813
cohesive_energy=6.694239684074787
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.01941327159939202
Energy: 0.034029623891984905
Energy: 0.024452679406588074
Energy: 1.1835113507032264
Energy: 0.024452679406588074
Energy: 0.034029623890073246
Energy: 0.01941327159939202
Energy: 0.034029623890073246
Energy: 0.024452679406588074
Energy: 3.7394020019957193
Energy: 1.248699280202478
Energy: 0.034936424757458555
Energy: 0.02163864766377434
Energy: 1.2393361067744213
Energy: 0.02163864766377434
Energy: 0.03493642475937022
Energy: 1.248699280202478
Energy: 0.034936424757458555
Energy: 0.02163864766377434
Energy: 1.2393361067744213
Energy: 0.01941327159939202
Energy: 0.034029623890073246
Energy: 0.024452679406588074
Energy: 1.1835113507089614
Energy: 0.024452679406588074
Energy: 0.034029623890073246
Energy: 0.01941327159939202
Energy: 0.034029623890073246
Energy: 0.024452679406588074
Energy: 4.420175951003961
Energy: 1.248699280202478
Energy: 0.034936424755546897
Energy: 0.02163864766377434
Energy: 1.2393361067744213
Energy: 0.02163864766377434
Energy: 0.034936424753635245
Energy: 1.248699280202478
Energy: 0.034936424755546897
Energy: 0.02163864766377434
Energy: 1.2393361067744213
Energy: 0.019413271601303683
Energy: 0.034029623890073246
Energy: 0.024452679408499736
Energy: 3.739401867606333
Energy: 0.024452679406588074
Energy: 0.034029623891984905
Energy: 0.01941327159939202
Energy: 0.034029623890073246
Energy: 0.024452679406588074
Energy: 3.7394023191179677
Energy: 1.248699280202478
Energy: 0.034936424757458555
Energy: 0.02163864766377434
Energy: 1.2393361067744213
Energy: 0.02163864766377434
Energy: 0.034936424755546897
Energy: 1.248699280202478
Energy: 0.034936424755546897
Energy: 0.02163864766377434
Energy: 1.2393361067744213
Energy: 0.019413271601303683
Energy: 0.034029623891984905
Energy: 0.024452679406588074
Energy: 2.9462986547326286
Energy: 0.024452679406588074
Energy: 0.034029623890073246
Energy: 0.01941327159939202
Energy: 0.034029623890073246
Energy: 0.024452679406588074
Energy: 2.9462986547326286

minimum gb energy = 0.01941327159939202 eV
minimum distance =  2.55188695686835 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.4391558803896394
Energy: 2.376008848367199
Energy: 2.2643370644571856
Energy: 1.8353902760129368
Energy: 1.4295014556799706
Energy: 1.2389311389457756
Energy: 1.439155880394322
Energy: 2.376008848369072
Energy: 2.264337064456717
Energy: 2.2885070506083203
Energy: 1.6576044893869002
Energy: 2.2255185016957086
Energy: 1.4827243348592767
Energy: 2.2386396330080496
Energy: 1.8569775910406483
Energy: 2.1663136139711416
Energy: 1.6576044893677016
Energy: 2.2255185017046055
Energy: 1.4827243349603783
Energy: 2.238639633006645
Energy: 2.132058673113165
Energy: 2.090726042850322
Energy: 2.2028597025047416
Energy: 2.0969167992730746
Energy: 1.5642967021964829
Energy: 2.233420034316886
Energy: 2.1320586731070774
Energy: 2.229831103139146
Energy: 2.2028597025112973
Energy: 2.096916799266519
Energy: 1.995687869853512
Energy: 2.246036882956063
Energy: 2.1147960587813386
Energy: 2.124721483621275
Energy: 2.100703409786256
Energy: 2.08353450045602
Energy: 1.9956878698572582
Energy: 2.246036882949976
Energy: 2.114796058785085
Energy: 2.124721483618976
Energy: 2.096698974438714
Energy: 2.061365559595238
Energy: 2.154668946716004
Energy: 1.8368393048874714
Energy: 2.1260959025798303
Energy: 2.133000074576874
Energy: 2.0966989744405873
Energy: 2.061365559587746
Energy: 2.154668946726306
Energy: 1.8368393048944953
Energy: 2.0796784789199005
Energy: 2.1243024565421194
Energy: 2.0812364222721054
Energy: 2.0974747457495413
Energy: 2.2327240333863476
Energy: 2.1392322273547157
Energy: 2.129541551802147
Energy: 2.1243024565421194
Energy: 2.081236422271169
Energy: 2.097474745752819
Energy: 2.199498856373846
Energy: 1.8302248998034882
Energy: 2.0960172326144053
Energy: 1.6573664202589264
Energy: 2.123444610683538
Energy: 2.0700236423823184
Energy: 2.199498856377123
Energy: 1.8302248998020834
Energy: 2.0960172326125326
Energy: 1.6573664202537757
Energy: 2.2701733385948226
Energy: 1.1494676592915176
Energy: 2.379330188809425
Energy: 1.6545985224015447
Energy: 2.279688627281939
Energy: 1.6144738576131805
Energy: 2.270173338591545
Energy: 1.1494676592901127
Energy: 2.3793301888033795
Energy: 1.6545985223982669
Energy: 2.2469412233849955
Energy: 1.6044274760333632
Energy: 2.340729713133472
Energy: 1.4579328153745572
Energy: 1.2949817500894272
Energy: 1.8936393081718648
Energy: 2.24694122338921
Energy: 1.604427475826946
Energy: 2.3407297131376863
Energy: 1.457932815372216
Energy: 2.369395224249063
Energy: 2.2683537101370392
Energy: 2.323074776415933
Energy: 1.563118226104654
Energy: 1.5004189743721856
Energy: 1.3220196515857447
Energy: 2.2902008628328545
Energy: 2.2683537101361027
Energy: 2.3230747764187423
Energy: 1.5631182261079317
Energy: 2.1062188551635868
Energy: 1.6804233066995624
Energy: 2.2404288492715074
Energy: 1.9179317303503622
Energy: 2.26537531867047
Energy: 1.746766069226229
Energy: 2.1062188551579677
Energy: 1.680423305555179
Energy: 2.2404288492799362
Energy: 1.9179317303569177
Energy: 2.1746326915472776
Energy: 2.105982805954619
Energy: 2.125426706762971
Energy: 2.050649137235059
Energy: 2.1612611043987755
Energy: 2.1379480848259003
Energy: 2.1746326915388487
Energy: 2.105982805954151
Energy: 2.12542670675501
Energy: 2.0506491372374
Energy: 2.075879526401728
Energy: 2.12430553260397
Energy: 2.117012981211254
Energy: 2.149319335642876
Energy: 2.110207434698896
Energy: 2.0973183490479586
Energy: 2.075879526405942
Energy: 2.1243055326058427
Energy: 2.117012981213595
Energy: 2.1493193356419393
Energy: 2.033525129176525
Energy: 2.115579847010569
Energy: 2.1006756635610246
Energy: 2.144388655658999
Energy: 2.1089084135539826
Energy: 2.115144819759735
Energy: 2.0335251291774616
Energy: 2.1155798470128673
Energy: 2.1006756635671118
Energy: 2.1443886556655545
Energy: 1.7692001204371157
Energy: 2.131532092226426
Energy: 2.090504919029119
Energy: 2.12218450455842
Energy: 2.1087575688713724
Energy: 2.1611980134438493
Energy: 1.7692001204403935
Energy: 2.131532092217997
Energy: 2.09050491902631
Energy: 2.122184504560293
Energy: 1.737416669961964
Energy: 2.245180862616712
Energy: 1.86020395504067
Energy: 2.1583751690849553
Energy: 2.1206604429318947
Energy: 2.263597280136221
Energy: 1.7374166699507256
Energy: 2.245180862620458
Energy: 1.86020395504067
Energy: 2.158375169083082
Energy: 1.633858812657412
Energy: 2.320908160655554
Energy: 1.569274510922336
Energy: 2.1764628195988744
Energy: 1.32231778735457
Energy: 2.34378272041013
Energy: 1.6338588126583486
Energy: 2.3209081606541493
Energy: 1.56927451092936
Energy: 2.176462819600747
Energy: 2.349279450892028
Energy: 1.5427886223706302
Energy: 1.4849687522548831
Energy: 2.2911784783621547
Energy: 1.742469279474046
Energy: 1.2615603361766072
Energy: 2.3492794508957737
Energy: 1.542788622377654
Energy: 1.4849687522516053
Energy: 2.291178478368711
Energy: 2.209640884005408
Energy: 2.3130253552436293
Energy: 1.431010740382469
Energy: 2.2714792540382476
Energy: 1.6136677769215804
Energy: 2.2716029861570184
Energy: 2.209640884003535
Energy: 2.313025355246438
Energy: 1.431010740387109
Energy: 2.27147925404574
Energy: 1.73680829840839
Energy: 2.1495790541089432
Energy: 1.6202818626942637
Energy: 2.1662860862567053
Energy: 2.117287331922635
Energy: 2.1328475977448953
Energy: 1.7368080753986859
Energy: 2.149579054100047
Energy: 1.620281862693327
Energy: 2.1662860862557687
Energy: 2.097220385235986
Energy: 2.096957453241742
Energy: 2.0737436778572906
Energy: 2.1065162811108804
Energy: 2.1389354954596795
Energy: 2.380866265391313
Energy: 2.097220385228025
Energy: 2.09695745324502
Energy: 2.073743677859632
Energy: 2.106516281115095
Energy: 2.0581740314790085
Energy: 2.0597205961867817
Energy: 2.1582004877782563
Energy: 2.099485860400858
Energy: 2.0994469828992863
Energy: 1.6980315319564734
Energy: 2.058174031476199
Energy: 2.059720596184909
Energy: 2.1582004877843444
Energy: 2.099485860404136
Energy: 2.1237690055159053
Energy: 1.6137782595853176
Energy: 1.3863174521052308
Energy: 2.0974488504959083
Energy: 2.090677128986667
Energy: 2.124364988720299
Energy: 2.123769005517778
Energy: 1.6137782595558172
Energy: 1.38631745214035
Energy: 2.0974488504968445
Energy: 2.2423301462597633
Energy: 1.664505896913115
Energy: 2.3166673575422805
Energy: 2.131779987389756
Energy: 2.233167815658199
Energy: 2.2445450622878327
Energy: 2.2423301462569536
Energy: 1.664505896914988
Energy: 2.3166673575418124
Energy: 2.1317799873958436
Energy: 2.2883894336812896
Energy: 1.4758534992386754
Energy: 2.1607826368778493
Energy: 1.6113662456541793
Energy: 2.2663006497582376
Energy: 1.6799163945273496
Energy: 2.2883894336817576
Energy: 1.475853499234461
Energy: 2.1607826368830008
Energy: 1.6113662456616291
Energy: 2.4588719024764334
Energy: 1.4516442658656035
Energy: 2.3357940435437867
Energy: 1.9958515140175948
Energy: 2.335689750876106
Energy: 2.2643370644501615
Energy: 2.4588719024745607
Energy: 1.4516442661118227
Energy: 2.335794043538636
Energy: 1.9958515181902974
Energy: 2.238639633010859
Energy: 1.8569775910439261
Energy: 2.1663136139767607
Energy: 1.6576044893372646
Energy: 2.22551850169805
Energy: 1.4827243349144887
Energy: 2.238639633012732
Energy: 1.8569775910443944
Energy: 2.166313613973483
Energy: 1.6576044893400743
Energy: 2.2423301462625727
Energy: 1.5642967005175599
Energy: 2.2786570760986837
Energy: 2.132058673104736
Energy: 2.2764592951513114
Energy: 2.2028597025033374
Energy: 2.242330146254613
Energy: 1.5642966999559038
Energy: 2.2786570760940013
Energy: 2.1320586731089506
Energy: 2.124721483626426
Energy: 2.100703409784383
Energy: 2.2080117679325815
Energy: 1.9956878698614726
Energy: 2.2460368829527857
Energy: 2.1147960587902355
Energy: 2.1247214836208066
Energy: 2.1007034097867243
Energy: 2.208011767931177
Energy: 1.995687869860536

minimum gb energy = 1.1494676592901127 eV
minimum distance =  2.54303365268087 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.9112196867065084
Energy: 1.1723634469012016
Energy: 1.776096385255525
Energy: 1.9528066899718532
Energy: 1.8768490988021915
Energy: 1.4084365102871388
Energy: 0.911219686731642
Energy: 1.1723634468966317
Energy: 1.7760963852578098
Energy: 1.9696200921335227
Energy: 1.8217580379015468
Energy: 1.8134994828560471
Energy: 0.9444095963857537
Energy: 1.3786714028466749
Energy: 1.849213159023563
Energy: 1.9344671204806048
Energy: 1.8217580379038314
Energy: 2.1186356320177895
Energy: 0.9444095963743293
Energy: 1.200316808670989
Energy: 1.3526456350702443
Energy: 2.0558594541283517
Energy: 2.013673250667002
Energy: 2.009928658032147
Energy: 0.22871642968692363
Energy: 1.980558885439763
Energy: 1.3526456350748142
Energy: 2.055859454123782
Energy: 2.013673250662433
Energy: 2.009928658027577
Energy: 2.0057396977711353
Energy: 2.01834369335117
Energy: 1.837809046082782
Energy: 2.0089619182477803
Energy: 2.02860995055872
Energy: 2.0043952232959557
Energy: 2.00573969777342
Energy: 2.018343693353455
Energy: 1.8378090460850667
Energy: 2.0089619182409257
Energy: 2.031838299408767
Energy: 1.54376434648162
Energy: 2.0469665504041763
Energy: 0.7138181411296115
Energy: 2.1218694230150996
Energy: 2.088976474655856
Energy: 2.031838299404198
Energy: 1.543764346483905
Energy: 2.0469665504041763
Energy: 0.7138181411250418
Energy: 1.4098752482687902
Energy: 1.283386416025047
Energy: 2.1660463019711607
Energy: 1.4029626658869263
Energy: 1.4413207685983387
Energy: 0.7385342236750163
Energy: 1.4098752482733599
Energy: 1.2833864160319017
Energy: 2.166046301973446
Energy: 1.4029626658869263
Energy: 1.370538645805752
Energy: 1.5929024937315182
Energy: 1.16629035938748
Energy: 0.6903368275602205
Energy: 2.0000487203079134
Energy: 1.8799172719228021
Energy: 1.3705386458126068
Energy: 1.5929024937269898
Energy: 1.1662903593578184
Energy: 0.6903368275602205
Energy: 2.014359323773427
Energy: 1.950726797508784
Energy: 1.991072529652831
Energy: 0.9879134781425642
Energy: 1.899323848624632
Energy: 1.7573975249670999
Energy: 2.014359323773427
Energy: 1.9507267975156386
Energy: 1.9910725296619707
Energy: 0.987913478147134
Energy: 2.0310670736864
Energy: 1.5393750907496133
Energy: 1.9965914307069228
Energy: 2.001323770491828
Energy: 2.0182367772527825
Energy: 1.1133431619161462
Energy: 2.0310670736886847
Energy: 1.5393750907541417
Energy: 1.9965914307000683
Energy: 2.001323770491828
Energy: 2.005058837798166
Energy: 2.0653321267436535
Energy: 2.002177057512306
Energy: 1.8462088672762451
Energy: 2.0740427521904454
Energy: 2.030626968008103
Energy: 2.005058837789068
Energy: 2.0653321267413687
Energy: 2.002177057514591
Energy: 1.8462088672739603
Energy: 0.021522820818823462
Energy: 2.071138165796049
Energy: 1.3855671568826957
Energy: 2.077047941203785
Energy: 1.8498281562282108
Energy: 2.1198164460306943
Energy: 0.02152282137836786
Energy: 2.071138165798333
Energy: 1.3855671568826957
Energy: 2.07704794120607
Energy: 0.8581872896905764
Energy: 1.4416008849008664
Energy: 1.1457099053748112
Energy: 2.241327830592473
Energy: 1.7858872863190483
Energy: 1.4434468141777017
Energy: 0.8581872896951047
Energy: 1.4416008849122908
Energy: 1.1457099053976598
Energy: 2.241327830592473
Energy: 1.142157412229187
Energy: 1.2430654357693518
Energy: 0.6628498198440556
Energy: 1.2107823912376365
Energy: 0.7059043358510398
Energy: 2.05851111711401
Energy: 1.142157412231472
Energy: 1.2430654358059097
Energy: 0.6628498137986994
Energy: 1.2107823916875904
Energy: 1.8018267196693012
Energy: 1.9321892982204523
Energy: 2.0001414532437667
Energy: 1.8664486339808226
Energy: 1.8776006434840737
Energy: 2.048677919565895
Energy: 1.801826719673871
Energy: 1.9321892982295916
Energy: 2.0001414532346273
Energy: 2.045182352721418
Energy: 1.976388207402069
Energy: 1.9106264259609618
Energy: 1.3894488478087292
Energy: 2.0118255680782964
Energy: 1.8580432750298328
Energy: 2.018035735220693
Energy: 1.9763882074089236
Energy: 1.9106264259632466
Energy: 1.3894488478041593
Energy: 2.0118255680828665
Energy: 2.0161950309602266
Energy: 2.02116844019387
Energy: 2.0659457236421033
Energy: 1.4489425486750904
Energy: 1.98136685057513
Energy: 2.0735011156496377
Energy: 2.016195030969366
Energy: 2.0211684401984398
Energy: 2.0659457236375336
Energy: 1.4489425486705625
Energy: 2.017932480943198
Energy: 1.0281725309859941
Energy: 2.0676768758602315
Energy: 1.5634665547963948
Energy: 1.9322146818319368
Energy: 1.760274454896578
Energy: 2.017932480945483
Energy: 1.028172531004273
Energy: 2.067676875855662
Energy: 1.56346655479868
Energy: 1.674524392961682
Energy: 0.8572771221631058
Energy: 0.7390795689705235
Energy: 0.9966018734502899
Energy: 1.8351374604907815
Energy: 1.7774531390609345
Energy: 1.6745243929639666
Energy: 0.8572771221653908
Energy: 0.7390795689340072
Energy: 0.9966018734525749
Energy: 1.4416554152451961
Energy: 0.5773955021190625
Energy: 1.2555813922091514
Energy: 0.9976105540192958
Energy: 0.6391480643077403
Energy: 0.7371534895042444
Energy: 1.4416554152337717
Energy: 0.5773955021556205
Energy: 1.2555813922114363
Energy: 0.9976105547158495
Energy: 1.749209715774562
Energy: 1.3231189246007937
Energy: 1.9246553368116859
Energy: 1.3521234603766608
Energy: 2.0676768758648016
Energy: 1.8795591877555569
Energy: 1.749209715770034
Energy: 1.3231189245985087
Energy: 1.9246553368048729
Energy: 1.352123460372091
Energy: 2.0172895394727237
Energy: 2.0735011156519225
Energy: 1.9891585145965633
Energy: 1.5599341598310446
Energy: 2.0659457236352488
Energy: 1.7210320073979117
Energy: 2.017289539470439
Energy: 2.073501115656492
Energy: 1.9891585145988482
Energy: 1.559934159837899
Energy: 1.9757159321896562
Energy: 2.016792542688121
Energy: 2.096612210088869
Energy: 2.0474165029597913
Energy: 1.3908884863565467
Energy: 1.9267849231400602
Energy: 1.9757159321896562
Energy: 2.0167925426949753
Energy: 2.0966122100911537
Energy: 2.0474165029575064
Energy: 1.8009179911457434
Energy: 2.014057017937125
Energy: 1.8515706971011985
Energy: 2.0451823527282724
Energy: 1.9891531592998222
Energy: 1.877969129828075
Energy: 1.8009179911480284
Energy: 2.0140570179394097
Energy: 1.8515706970989136
Energy: 2.0451823527237027
Energy: 1.1531280001899382
Energy: 1.9108426521412971
Energy: 0.9074100978811945
Energy: 0.8207735427615113
Energy: 1.0172111504539425
Energy: 1.8207975059213761
Energy: 1.153128000196793
Energy: 1.9108426521458666
Energy: 0.9074100971046702
Energy: 0.8207735427615113
Energy: 0.8604646635381046
Energy: 1.4420024279831132
Energy: 1.107152385918516
Energy: 2.294711522903811
Energy: 1.020952474205622
Energy: 0.6404946297025853
Energy: 0.8604646635381046
Energy: 1.4420024280105317
Energy: 1.107152385918516
Energy: 2.2947115229060953
Energy: 1.8805905698147067
Energy: 1.748482937094271
Energy: 1.3309922733305481
Energy: 2.014311817647953
Energy: 1.4047485490977099
Energy: 2.1560279524160726
Energy: 1.8805905698147067
Energy: 1.7484829370987993
Energy: 1.330992273332833
Energy: 2.014311817647953
Energy: 1.7081483123216703
Energy: 2.0932608728234467
Energy: 2.0740427521858757
Energy: 1.988989056084343
Energy: 2.000815670191978
Energy: 2.0653321267436535
Energy: 1.708148312323955
Energy: 2.0932608728257316
Energy: 2.074042752183591
Energy: 1.988989056084343
Energy: 2.0475936777791572
Energy: 1.6374272141191837
Energy: 2.0155662978705853
Energy: 2.100856156339826
Energy: 2.0052743214957793
Energy: 1.3937997265949453
Energy: 2.047593677781442
Energy: 1.6374272141191837
Energy: 2.0155662978683004
Energy: 2.100856156337541
Energy: 2.0475001565697926
Energy: 1.34349155734459
Energy: 2.1044710990655537
Energy: 0.694173761743976
Energy: 2.049612785109004
Energy: 1.9833706900676826
Energy: 2.04750015656298
Energy: 1.343491557346875
Energy: 2.104471099070123
Energy: 0.694173761743976
Energy: 1.2465491849985417
Energy: 1.7572922579281431
Energy: 2.073634768638222
Energy: 1.0434814420406417
Energy: 1.2556092065737279
Energy: 1.1617170728680437
Energy: 1.2465491849711232
Energy: 1.7572922579258583
Energy: 2.073634768640507
Energy: 1.0434814426298893
Energy: 1.197166032562317
Energy: 0.8560608971315381
Energy: 1.4407397937651936
Energy: 0.1340613327030358
Energy: 2.1665750045533865
Energy: 0.735726041760867
Energy: 1.197166032562317
Energy: 0.8560608971361078
Energy: 1.4407397937606239
Energy: 0.1340613443347379
Energy: 1.7833029455763334
Energy: 1.9823206691848565
Energy: 1.749428809547695
Energy: 1.0654148201754634
Energy: 1.9544730486102628
Energy: 1.3969174413725294
Energy: 1.7833029455786185
Energy: 1.9823206691825717
Energy: 1.7494288095499801
Energy: 1.0654148201731786
Energy: 2.0210081563488984
Energy: 1.8806763570804135
Energy: 2.0284405799225134
Energy: 2.0255024169216114
Energy: 2.0242693241419554
Energy: 2.0177420958362284
Energy: 2.0210081563580378
Energy: 1.8806763570872684
Energy: 2.028440579924798
Energy: 2.025502416919326
Energy: 1.3593499126613502
Energy: 1.994425792297026
Energy: 0.462257253141007
Energy: 1.867364785038337
Energy: 1.6522998817385088
Energy: 1.9466028422824722
Energy: 1.3593499126659199
Energy: 1.9944257922924564
Energy: 0.4622572548972842
Energy: 1.867364785042907
Energy: 1.9509299531614903
Energy: 1.9323141835988509
Energy: 1.38087686432386
Energy: 1.8086761770165987
Energy: 0.7015741474333385
Energy: 1.9694584371300918
Energy: 1.9509299531592055
Energy: 1.9323141835942812
Energy: 1.38087686432386
Energy: 1.8086761770165987
Energy: 0.9112196868001468
Energy: 1.1723634468783528
Energy: 1.7760963852350025
Energy: 2.052374036293315
Energy: 1.876849098799907
Energy: 1.4084365102894234
Energy: 0.9112196867065084
Energy: 1.1723634468966317
Energy: 1.7760963852167235
Energy: 2.0523740363024543
Energy: 1.821758037899262
Energy: 1.7805967658415833
Energy: 0.944409596424555
Energy: 1.2003167948125752
Energy: 1.849213159023563
Energy: 1.9344671204828896
Energy: 1.8217580379015468
Energy: 1.7805967658438682
Energy: 0.9444095963880386
Energy: 1.2003167973248126
Energy: 1.3526456350725293
Energy: 2.0558594541283517
Energy: 2.0136732506692874
Energy: 2.0099286580298616
Energy: 0.22871641002518403
Energy: 1.980558885439763
Energy: 1.3526456350748142
Energy: 2.055859454123782
Energy: 2.013673250662433
Energy: 2.0099286580298616
Energy: 2.00573969777342
Energy: 2.018343693348885
Energy: 1.837809046082782
Energy: 2.008961918250065
Energy: 2.02860995055872
Energy: 2.0043952232936704
Energy: 2.005739697775705
Energy: 2.01834369335117
Energy: 1.837809046082782
Energy: 2.0089619182432106
Energy: 2.031838299408767
Energy: 1.5437643464861899
Energy: 2.0469665504041763
Energy: 0.7138181411364661
Energy: 2.1218694230150996
Energy: 2.088976474655856
Energy: 2.031838299404198
Energy: 1.5437643464861899
Energy: 2.0469665504041763
Energy: 0.7138181411501754
Energy: 1.4098752482596506
Energy: 1.283386416025047
Energy: 2.166046301973446
Energy: 1.4029626658823566
Energy: 1.441320768609763
Energy: 0.738534223371253
Energy: 1.4098752482665053
Energy: 1.2833864160227622
Energy: 2.166046301975731
Energy: 1.4029626658823566
Energy: 1.3705386457988975
Energy: 1.592902493724705
Energy: 1.1662903592869875
Energy: 0.6903368274985705
Energy: 2.0000487203079134
Energy: 1.8799172719228021
Energy: 1.3705386457966124
Energy: 1.592902493704141
Energy: 1.1662903593851952
Energy: 0.6903368274917159
Energy: 2.014359323773427
Energy: 1.950726797511069
Energy: 1.9910725296505463
Energy: 0.9879134781425642
Energy: 1.899323848624632
Energy: 1.757397524964815
Energy: 2.014359323775712
Energy: 1.9507267975156386
Energy: 1.991072529657401
Energy: 0.9879134781494189
Energy: 2.0310670736864
Energy: 1.5393750907496133
Energy: 1.9965914307069228
Energy: 2.0013237704940714
Energy: 2.0182367772550673
Energy: 1.1133431619161462
Energy: 2.0310670736864
Energy: 1.5393750907541417
Energy: 1.9965914307046377
Energy: 2.001323770491828
Energy: 2.005058837795881
Energy: 2.0653321267459384
Energy: 2.002177057512306
Energy: 1.8462088672739603
Energy: 2.0740427521904454
Energy: 2.0306269680103872
Energy: 2.005058837789068
Energy: 2.0653321267436535
Energy: 2.002177057512306
Energy: 1.8462088672716752
Energy: 0.021522814204783507
Energy: 2.071138165798333
Energy: 1.3855671568849808
Energy: 2.07704794120607
Energy: 1.849828156230496
Energy: 2.119816446026124
Energy: 0.021522814261863768
Energy: 2.071138165798333
Energy: 1.3855671568826957
Energy: 2.077047941208355
Energy: 0.8581872896905764
Energy: 1.4416008848985815
Energy: 1.1457099054113276
Energy: 2.241327830592473
Energy: 1.7858872863167632
Energy: 1.4434468139698615
Energy: 0.8581872896928198
Energy: 1.4416008849031512
Energy: 1.1457099053953748
Energy: 2.241327830594758
Energy: 1.142157412233757
Energy: 1.2430654372356162
Energy: 0.6628498003741621
Energy: 1.210782391319892
Energy: 0.7059043358510398
Energy: 1.9958613849750508
Energy: 1.142157412229187
Energy: 1.2430654372629935
Energy: 0.662849802057365
Energy: 1.2107823957985322
Energy: 1.8018267196693012
Energy: 1.9321892982181672
Energy: 2.000141453239197
Energy: 1.8664486339808226
Energy: 1.8776006434840737
Energy: 2.0486779195636102
Energy: 1.801826719673871
Energy: 1.9321892982250222
Energy: 2.000141453236912
Energy: 1.8664486339762942
Energy: 1.9763882073997843
Energy: 1.9106264259632466
Energy: 1.3894488478087292
Energy: 2.0118255680760115
Energy: 1.8580432750298328
Energy: 2.018035735222978
Energy: 1.9763882074089236
Energy: 1.9106264259632466
Energy: 1.3894488477995897
Energy: 2.0118255680828665
Energy: 2.0161950309625114
Energy: 2.0211684401984398
Energy: 2.0659457236398184
Energy: 1.4489425486773755
Energy: 1.98136685057513
Energy: 2.0735011156496377
Energy: 2.016195030967081
Energy: 2.0211684402007246
Energy: 2.0659457236352488
Energy: 1.4489425486819454
Energy: 2.017932480943198
Energy: 1.0281725310202672
Energy: 2.0676768758602315
Energy: 1.5634665547963948
Energy: 1.9322146818296517
Energy: 1.7602744548920082
Energy: 2.0179324809500527
Energy: 1.0281725310385044
Energy: 2.0676768758579467
Energy: 1.5634665547963948
Energy: 1.674524392961682
Energy: 0.8572771221631058
Energy: 0.7390795689385768
Energy: 0.9966018734525749
Energy: 1.8351374604907815
Energy: 1.7774531390586494
Energy: 1.6745243929639666
Energy: 0.8572771221653908
Energy: 0.7390795689568143
Energy: 0.9966018734480051
Energy: 1.4416554152451961
Energy: 0.577395502093929
Energy: 1.2555813922068668
Energy: 0.9976105531354241
Energy: 0.6391480632480582
Energy: 0.7371534895019596
Energy: 1.4416554152360566
Energy: 0.577395502050558
Energy: 1.2555813922114363
Energy: 0.9976105539850226
Energy: 1.7492097157677489
Energy: 1.3231189246030786
Energy: 1.9246553368048729
Energy: 1.3521234603698062
Energy: 2.067676875862517
Energy: 1.8795591877601268
Energy: 1.749209715770034
Energy: 1.3231189245985087
Energy: 1.924655336802588
Energy: 1.352123460372091
Energy: 2.0172895394772934
Energy: 2.073501115654208
Energy: 1.9891585145988482
Energy: 1.5599341598310446
Energy: 2.0659457236352488
Energy: 1.7210320073956267
Energy: 2.017289539468154
Energy: 2.073501115654208
Energy: 1.989158514601133
Energy: 1.5599341598356142
Energy: 1.9757159321896562
Energy: 2.016792542685836
Energy: 2.096612210088869
Energy: 2.0474165029575064
Energy: 1.3908884863634012
Energy: 1.9267849231378171
Energy: 1.9757159321896562
Energy: 2.0167925426904056
Energy: 2.0966122100911537
Energy: 2.0474165029575064
Energy: 1.8009179911457434
Energy: 2.0140570179394097
Energy: 1.8515706971011985
Energy: 2.0451823527305573
Energy: 1.9891531592998222
Energy: 1.8779691298303183
Energy: 1.8009179911457434
Energy: 2.0140570179394097
Energy: 1.851570697094344
Energy: 2.0451823527259876

minimum gb energy = 0.021522814204783507 eV
minimum distance =  2.54405946110381 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

Energy: 1.957658217627791
Energy: 2.386711891823835
Energy: 2.2119776972740417
Energy: 2.3402716590610564
Energy: 2.260158608601656
Energy: 2.025713390861192
Energy: 1.9576582178001676
Energy: 2.386711891819992
Energy: 2.2119776972797123
Energy: 2.340395410728137
Energy: 2.3342680825297166
Energy: 2.3212284351813417
Energy: 1.8838244597678442
Energy: 2.2283543914893196
Energy: 2.065763157562211
Energy: 2.252227996512672
Energy: 2.3342680825253104
Energy: 2.321228435177452
Energy: 1.8838244597531275
Energy: 2.2283543914843986
Energy: 2.1271745481151045
Energy: 2.5334839904524054
Energy: 2.246046890312961
Energy: 2.244763785011783
Energy: 2.1738021915300156
Energy: 2.253839042305351
Energy: 2.127174548116885
Energy: 2.5334839904490307
Energy: 2.2460468903170856
Energy: 2.244763785018719
Energy: 2.197394201393632
Energy: 2.250059567228056
Energy: 2.2447043280315517
Energy: 2.2457819628116042
Energy: 2.2678607670087243
Energy: 2.2424327308956884
Energy: 2.1973942013998182
Energy: 2.2500595672303523
Energy: 2.244704328029255
Energy: 2.245781962810573
Energy: 2.2990530318294558
Energy: 2.0659110511035927
Energy: 2.2858613378776336
Energy: 2.2349750655485026
Energy: 2.30660659031594
Energy: 2.073528423623016
Energy: 2.2990530318268783
Energy: 2.0659110511002647
Energy: 2.285861337882508
Energy: 2.234975065557782
Energy: 2.2310309711965677
Energy: 2.2813640352432834
Energy: 2.286562406102782
Energy: 2.233964250090381
Energy: 2.1867935467832487
Energy: 2.0817425417265785
Energy: 2.2310309711942713
Energy: 2.2813640352440805
Energy: 2.2865624061012353
Energy: 2.2339642500893504
Energy: 2.378744988104709
Energy: 1.773496024292765
Energy: 1.9505220426113772
Energy: 2.069561532301936
Energy: 2.28517925055398
Energy: 2.2911106173208524
Energy: 2.2395607237506616
Energy: 1.7734960242868598
Energy: 2.2935804396040993
Energy: 2.0695615323032013
Energy: 2.2367713057009473
Energy: 2.243430403198975
Energy: 2.213487781363439
Energy: 2.1518934332959545
Energy: 2.216701874101064
Energy: 2.243118627166213
Energy: 2.236771305704322
Energy: 2.2434304031994907
Energy: 2.213487781363439
Energy: 2.1518934332972663
Energy: 2.3013202582085683
Energy: 2.31265055246536
Energy: 2.2544545980780946
Energy: 2.2960199899567195
Energy: 2.2501578219553418
Energy: 2.2010677376894394
Energy: 2.301320258206788
Energy: 2.3126505524635794
Energy: 2.2544545980801565
Energy: 2.2960199899582663
Energy: 2.156621707425909
Energy: 2.2496175789233206
Energy: 2.3058063644395106
Energy: 2.2968987671554846
Energy: 2.1792435971615585
Energy: 2.2489288452748926
Energy: 2.156621707427174
Energy: 2.2496175789163373
Energy: 2.3058063644408224
Energy: 2.296898767150329
Energy: 2.3848874798083886
Energy: 2.3251587345767164
Energy: 1.8858421396639804
Energy: 2.194776792587913
Energy: 2.0002637946558486
Energy: 2.1670665798854594
Energy: 2.3848874798119972
Energy: 2.325158734576951
Energy: 1.8858421396593403
Energy: 2.1947767925940997
Energy: 1.9316679775274856
Energy: 1.189059292989891
Energy: 2.2059275786972825
Energy: 2.2012868898172497
Energy: 1.7751654259016632
Energy: 2.3529155379153264
Energy: 1.931667977530579
Energy: 1.1890549007706932
Energy: 2.2059275787006105
Energy: 2.201286889821608
Energy: 2.261744983584428
Energy: 2.2875851579587074
Energy: 2.0533708674099853
Energy: 2.2162111501214876
Energy: 2.1150143868226015
Energy: 2.2144833719128383
Energy: 2.261744983588318
Energy: 2.287585157958192
Energy: 2.0533708674089546
Energy: 2.21621115012355
Energy: 2.2535188965798802
Energy: 2.256977642088819
Energy: 2.2979176604503215
Energy: 2.26674009654122
Energy: 2.2270936714557026
Energy: 2.2942614018224052
Energy: 2.25351889657524
Energy: 2.2569776420965524
Energy: 2.2979176604518683
Energy: 2.266740096537095
Energy: 2.215632348337994
Energy: 2.2435966783146815
Energy: 2.237089199078448
Energy: 2.2740139447353553
Energy: 2.251497293631971
Energy: 2.0651475188486157
Energy: 2.215632348334385
Energy: 2.2435966783154786
Energy: 2.237089199078963
Energy: 2.274013944737652
Energy: 1.9525275795210908
Energy: 1.9260243723779698
Energy: 2.305497802010329
Energy: 2.148679635670968
Energy: 2.2877789979005825
Energy: 2.1583867999719066
Energy: 1.9525275795138732
Energy: 1.9260243723769384
Energy: 2.305497802009298
Energy: 2.148679635672749
Energy: 2.2257876760754263
Energy: 2.3689297786833876
Energy: 2.2333381141428004
Energy: 2.0700737123858093
Energy: 2.150393946809158
Energy: 2.2512309956961283
Energy: 2.225787676075145
Energy: 2.3689297786815597
Energy: 2.2333381141422852
Energy: 2.070073712382435
Energy: 2.251509605318114
Energy: 2.1573854726659656
Energy: 2.286361062811539
Energy: 2.089805706763153
Energy: 2.3393762613683466
Energy: 2.2604247226460843
Energy: 2.2515096053199417
Energy: 2.1573854726656845
Energy: 2.2863610628146325
Energy: 2.089805706762122
Energy: 2.245359198967288
Energy: 2.247741943626324
Energy: 2.269040294761666
Energy: 2.273891736387747
Energy: 2.2888232166325686
Energy: 2.244723098869851
Energy: 2.2453591989690693
Energy: 2.2477419436173256
Energy: 2.2690402947596042
Energy: 2.2738917363908406
Energy: 2.2644539177897083
Energy: 2.2796697168401403
Energy: 2.2373571752290866
Energy: 2.2881149566490704
Energy: 2.049936417698334
Energy: 2.245965588333864
Energy: 2.264453917793598
Energy: 2.2796697168411715
Energy: 2.2373571752288055
Energy: 2.288114956642134
Energy: 2.0310911884533907
Energy: 2.350460226492522
Energy: 2.260116321614374
Energy: 2.3286768665130073
Energy: 2.0599603313583996
Energy: 2.203096876351405
Energy: 2.0310911884513287
Energy: 2.350460226488679
Energy: 2.260116321610531
Energy: 2.3286768665135225
Energy: 2.2583892071128324
Energy: 2.2042490907359693
Energy: 1.8330785622310375
Energy: 2.2724188898245776
Energy: 2.236797027220653
Energy: 2.3034679985990745
Energy: 2.2583892071138636
Energy: 2.204249090727205
Energy: 1.8330785622302408
Energy: 2.272418889826358
Energy: 2.066233263999357
Energy: 2.2514048015356845
Energy: 2.3480484146603566
Energy: 2.3215230350369644
Energy: 2.2300042885237152
Energy: 2.228528578945754
Energy: 2.0662332639926553
Energy: 2.251404801538778
Energy: 2.348048414661388
Energy: 2.3215230350359337
Energy: 2.1595980755257385
Energy: 2.291401876301466
Energy: 2.2627788227317382
Energy: 2.2791578070722482
Energy: 2.2460997643390765
Energy: 2.244692099769646
Energy: 2.15959807551749
Energy: 2.291401876299123
Energy: 2.2627788227366126
Energy: 2.279157807072764
Energy: 2.2363305588961016
Energy: 2.247532546416127
Energy: 2.2756132390237536
Energy: 2.2505610292009917
Energy: 2.2449414934369623
Energy: 2.245781248739798
Energy: 2.2363305588958204
Energy: 2.247532546414815
Energy: 2.275613239026613
Energy: 2.2505610291999605
Energy: 2.362408487798266
Energy: 2.1764462517156176
Energy: 2.4351182097390356
Energy: 2.0534315609624194
Energy: 2.174999694280508
Energy: 2.2884150476106373
Energy: 2.3624084877962037
Energy: 2.176446251714586
Energy: 2.435118209737208
Energy: 2.053431560965279
Energy: 2.2819601490069137
Energy: 2.249289786826659
Energy: 2.2016487928270907
Energy: 2.205825559298915
Energy: 2.2692236790253255
Energy: 2.144763239985035
Energy: 2.281960149008226
Energy: 2.249289786830783
Energy: 2.2016487928250292
Energy: 2.2058255592966183
Energy: 2.315171304120172
Energy: 2.36406374540252
Energy: 2.3520987411953045
Energy: 1.9069423715440603
Energy: 2.3461529380184203
Energy: 2.069921998765573
Energy: 2.3151713041234996
Energy: 2.3640637454058937
Energy: 2.3520987412022407
Energy: 1.9069423715461224
Energy: 2.2513572054160282
Energy: 2.2412490369755043
Energy: 2.2177397414077165
Energy: 2.2433592256084665
Energy: 2.2313843287449884
Energy: 2.171514668553576
Energy: 2.251357205422496
Energy: 2.241249036974192
Energy: 2.2177397414066853
Energy: 2.2433592256074353
Energy: 2.117540357324975
Energy: 2.2996120276267007
Energy: 2.2471437572489896
Energy: 2.3462606251436267
Energy: 2.245580745777447
Energy: 2.2732490599958495
Energy: 2.1175403573242253
Energy: 2.2996120276228114
Energy: 2.247143757246412
Energy: 2.3462606251503284
Energy: 2.2159938841598437
Energy: 2.2516171407851804
Energy: 2.157111521347728
Energy: 2.1992514751098
Energy: 2.2014220837792324
Energy: 2.268828361319952
Energy: 2.2159938841554845
Energy: 2.2516171407823213
Energy: 2.1571115213472125
Energy: 2.1992514751136896
Energy: 1.8903394142847243
Energy: 2.2622176222556205
Energy: 2.3851597805749645
Energy: 2.31321065397009
Energy: 1.9076641330736417
Energy: 2.223519580946541
Energy: 1.890339414283412
Energy: 2.2622176222538393
Energy: 2.3851597805734186
Energy: 2.3132106539736985
Energy: 2.294359787432265
Energy: 2.3653996092979193
Energy: 1.929244116503248
Energy: 2.303759129136071
Energy: 2.0905451250510936
Energy: 2.3835912907270154
Energy: 2.29435978742786
Energy: 2.365399609296888
Energy: 1.92924411650606
Energy: 2.22381630849604
Energy: 2.150296390183946
Energy: 2.210692852770923
Energy: 2.262073028430674
Energy: 2.2977402504596642
Energy: 2.0524920593401355
Energy: 2.2168588016701394
Energy: 2.1502963901883048
Energy: 2.210692852769376
Energy: 2.262073028431424
Energy: 2.29774025046196
Energy: 2.211777366196912
Energy: 2.274689884650188
Energy: 2.2105454623255114
Energy: 2.2580503350396417
Energy: 2.277986311888856
Energy: 2.2971033302118147
Energy: 2.2117773661997244
Energy: 2.2746898846470947
Energy: 2.210545462326308
Energy: 2.258050335039126
Energy: 2.2148716165811146
Energy: 2.0668142549803448
Energy: 2.2150523539689644
Energy: 2.274215438344952
Energy: 2.2366221578821466
Energy: 2.276362691724887
Energy: 2.214871616587301
Energy: 2.0668142549777673
Energy: 2.2150523539722915
Energy: 2.274215438345983
Energy: 2.2645253347757617
Energy: 2.158782476852286
Energy: 2.1721838626546184
Energy: 0.6693707851735319
Energy: 2.141948026974323
Energy: 2.1597839683758244
Energy: 2.2645253347780585
Energy: 2.1587824768548636
Energy: 2.1721838626821763
Energy: 0.6693707031151387
Energy: 2.1352601950644154
Energy: 1.5863633112413094
Energy: 2.2257640982054565
Energy: 2.425219063737126
Energy: 2.2844102560362103
Energy: 2.1826047360079994
Energy: 2.1352601950608068
Energy: 1.5863633110511701
Energy: 2.2257640982083156
Energy: 2.425219063737126
Energy: 2.33157659129869
Energy: 2.2579973031905056
Energy: 2.198618018810559
Energy: 2.1565069732814743
Energy: 2.2794181693214615
Energy: 2.090810954873877
Energy: 2.3315765912989246
Energy: 2.2579973031879277
Energy: 2.1986180188110747
Energy: 2.1565069732830215
Energy: 2.3120058974217526
Energy: 2.244999165432223
Energy: 2.2453545089354927
Energy: 2.2471291866663887
Energy: 2.3279991575797956
Energy: 2.2781927785519582
Energy: 2.3120058974189406
Energy: 2.244999165435597
Energy: 2.245354508939336
Energy: 2.247129186668966
Energy: 2.203682243181709
Energy: 2.2459386233502614
Energy: 2.264027457968071
Energy: 2.2776872367728425
Energy: 2.2351783227884634
Energy: 2.2892647908089017
Energy: 2.203682243183021
Energy: 2.2459386233507765
Energy: 2.264027457967837
Energy: 2.2776872367586884
Energy: 2.172646115985403
Energy: 2.2027433680019013
Energy: 1.5729807702468521
Energy: 2.3286844717759125
Energy: 2.3427507911661176
Energy: 2.3298366545051654
Energy: 2.172646115988215
Energy: 2.202743368007854
Energy: 1.572980770247649
Energy: 2.3286844717751154
Energy: 2.2356155051771966
Energy: 2.3308565368459915
Energy: 2.2631259782723028
Energy: 1.478909258363713
Energy: 2.181932676893898
Energy: 2.172177854946064
Energy: 2.2356155051808053
Energy: 2.3308565368434135
Energy: 2.263125978272818
Energy: 1.478909328547047
Energy: 2.2330503378540674
Energy: 2.2048831846724255
Energy: 2.1563975822917882
Energy: 2.2510489562349867
Energy: 2.3476697790021306
Energy: 2.321826000766575
Energy: 2.2330503378530366
Energy: 2.2048831846711128
Energy: 2.1563975822987245
Energy: 2.251048956235221
Energy: 2.2450186092403714
Energy: 2.2446507239104223
Energy: 2.1586688149950626
Energy: 2.220523916913507
Energy: 2.233956813804319
Energy: 2.185046334405862
Energy: 2.245018609240886
Energy: 2.2446507239122027
Energy: 2.158668814995578
Energy: 2.159821950345764
Energy: 2.24502847663126
Energy: 2.2457900491931526
Energy: 2.235794027977746
Energy: 2.240493528017869
Energy: 2.295865977458985
Energy: 2.250065625130947
Energy: 2.2450284766330877
Energy: 2.2457900491975584
Energy: 2.2357940279741375
Energy: 2.240493528019416
Energy: 2.3224739981417697
Energy: 2.2171707893811328
Energy: 2.311696390599228
Energy: 2.2295448342882995
Energy: 2.195765437620459
Energy: 2.03128936903816
Energy: 2.322473998145144
Energy: 2.2171707893831947
Energy: 2.311696390601806
Energy: 2.2295448342865187
Energy: 2.252374726303843
Energy: 2.3328908705680957
Energy: 2.1596437163181106
Energy: 2.264735907117064
Energy: 2.0793356762986557
Energy: 2.2596264830969566
Energy: 2.2523747263017806
Energy: 2.332890870563456
Energy: 2.1596437162980044
Energy: 2.264735907114486
Energy: 2.348603057827355
Energy: 2.082439218459154
Energy: 2.314889885638929
Energy: 2.344120890447651
Energy: 2.318911669002527
Energy: 1.881406602834968
Energy: 2.348603057826839
Energy: 2.082439218457092
Energy: 2.3148898856384137
Energy: 2.3441208904455886
Energy: 2.2312314423125312
Energy: 2.173868189238724
Energy: 2.2527631009209625
Energy: 2.2398861847773723
Energy: 2.0981571818430225
Energy: 2.2439614663129874
Energy: 2.2312314423097197
Energy: 2.1738681892402703
Energy: 2.2527631009207285
Energy: 2.239886184779716
Energy: 2.253902812536421
Energy: 2.2892091620906374
Energy: 2.22805549906155
Energy: 2.3081528079625175
Energy: 2.2506218399668727
Energy: 2.2751133912570043
Energy: 2.253902812528922
Energy: 2.2892091620937305
Energy: 2.228055499055645
Energy: 2.3081528079599396
Energy: 2.223738185936458
Energy: 2.2895062288575923
Energy: 2.1734685437352383
Energy: 2.2181158622640185
Energy: 2.156978252578178
Energy: 2.252864720411258
Energy: 2.2237381859377234
Energy: 2.289506228858858
Energy: 2.1734685437378163
Energy: 2.2181158622645345

minimum gb energy = 0.6693707031151387 eV
minimum distance =  2.52619971289166 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.4097563058151623
Energy: 2.4571651340756544
Energy: 2.3450434004738003
Energy: 2.1583513809757435
Energy: 2.345210536178738
Energy: 2.457060508270829
Energy: 2.409756305813392
Energy: 2.457165134076539
Energy: 2.3450434004738003
Energy: 2.3883806782801917
Energy: 2.338304131861465
Energy: 2.349251300541581
Energy: 2.341060513544923
Energy: 2.395789724305436
Energy: 2.3385992035424765
Energy: 2.348643584560216
Energy: 2.338304131861465
Energy: 2.3492513005442355
Energy: 2.341060513544923
Energy: 2.3957897243036665
Energy: 2.3997650469458005
Energy: 2.470834980034219
Energy: 2.3908633556300427
Energy: 2.3539451914808245
Energy: 2.351959112758259
Energy: 2.3939293924594316
Energy: 2.3997650469458005
Energy: 2.4708349800306797
Energy: 2.3908633556309273
Energy: 2.35394519147817
Energy: 2.3489961125467302
Energy: 2.350902571535525
Energy: 2.3484907478487416
Energy: 2.3510945390237485
Energy: 2.3979828433665724
Energy: 2.3385574349845806
Energy: 2.348996112545845
Energy: 2.3509025715364107
Energy: 2.348490747849626
Energy: 2.351094539020209
Energy: 2.471656112580468
Energy: 2.5815257861196277
Energy: 2.3628369361088524
Energy: 2.3381926860701334
Energy: 2.35664573805706
Energy: 2.3519182650784
Energy: 2.471656112580468
Energy: 2.581525786121398
Energy: 2.3628369361132773
Energy: 2.3381926860665936
Energy: 2.3502490546787795
Energy: 2.3381901432756185
Energy: 2.3368026780850863
Energy: 2.3413743285034534
Energy: 2.336098142020071
Energy: 2.3416389651011693
Energy: 2.3502490546796646
Energy: 2.3381901432756185
Energy: 2.3368026780850863
Energy: 2.341374328504338
Energy: 2.3521802132811183
Energy: 2.4093588020582533
Energy: 2.3985229862666793
Energy: 2.3515117933745295
Energy: 2.387693821522623
Energy: 2.335571446486491
Energy: 2.352180213279348
Energy: 2.409358802057368
Energy: 2.3985229862666793
Energy: 2.351511793373645
Energy: 2.3518361455729395
Energy: 2.350822369196171
Energy: 2.350824556695372
Energy: 2.3516960179771167
Energy: 2.3484594138868187
Energy: 2.3484242169912757
Energy: 2.3518361455729395
Energy: 2.3508223691952854
Energy: 2.350824556694487
Energy: 2.3516960179771167
Energy: 2.3514659736125507
Energy: 2.398222190256746
Energy: 2.4097626640039245
Energy: 2.3994335821012776
Energy: 2.3362509063687193
Energy: 2.423301354577972
Energy: 2.3514659736116656
Energy: 2.3982221902540912
Energy: 2.4097626640012697
Energy: 2.399433582100393
Energy: 2.3411869395502967
Energy: 2.336625853620847
Energy: 2.338219734736908
Energy: 2.350235083572465
Energy: 2.3416350639503616
Energy: 2.3361668089411523
Energy: 2.3411869395502967
Energy: 2.336625853620847
Energy: 2.338219734737793
Energy: 2.3502350835698103
Energy: 2.338375388446745
Energy: 2.3627477922249414
Energy: 2.581479720474849
Energy: 2.4717284116689764
Energy: 2.351849526220826
Energy: 2.3542390817973278
Energy: 2.338375388448515
Energy: 2.362747792223171
Energy: 2.581479720473079
Energy: 2.471728411670746
Energy: 2.3513013817529793
Energy: 2.348189755571299
Energy: 2.3507737996684104
Energy: 2.34908753538453
Energy: 2.3387283019601774
Energy: 2.3981086789426
Energy: 2.351301381751209
Energy: 2.3481897555704143
Energy: 2.350773799669255
Energy: 2.349087535385415
Energy: 2.3538176970988034
Energy: 2.3908633556309273
Energy: 2.4708089886539035
Energy: 2.3991529574476016
Energy: 2.393929392455007
Energy: 2.3519931692406253
Energy: 2.3538176970979188
Energy: 2.3908633556300427
Energy: 2.470808988654789
Energy: 2.399152957446716
Energy: 2.3957723814048952
Energy: 2.341604346331025
Energy: 2.3489957659649727
Energy: 2.3381397291630757
Energy: 2.3486177508127777
Energy: 2.3386939858723257
Energy: 2.3957723814057794
Energy: 2.3416043463301404
Energy: 2.348995765965858
Energy: 2.338139729160421
Energy: 2.388380676167911
Energy: 2.3452105361751983
Energy: 2.4570605082681736
Energy: 2.4097563058142772
Energy: 2.4571651340756544
Energy: 2.3450434004729153
Energy: 2.3883806760883077
Energy: 2.345210536176968
Energy: 2.4570605082681736
Energy: 2.4097563058142772

minimum gb energy = 2.1583513809757435 eV
minimum distance =  2.5235445172411 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.6936765987323013
Energy: 1.594275421448313
Energy: 1.2501168497020791
Energy: 1.791084419450369
Energy: 1.654690792452263
Energy: 1.5952817336391123
Energy: 1.693676598732988
Energy: 1.5942754214445052
Energy: 1.250116849689032
Energy: 1.8163208948258134
Energy: 1.598837875355017
Energy: 1.8058404862410213
Energy: 1.656096001387438
Energy: 1.7027244142090143
Energy: 1.751486935311454
Energy: 1.7058506961347906
Energy: 1.5988378753522703
Energy: 1.8058404862386492
Energy: 1.6560960013929316
Energy: 1.7027244142145077
Energy: 1.7393813302412346
Energy: 1.693896116353777
Energy: 1.7792134230888974
Energy: 1.7513634256216732
Energy: 1.7483355850310485
Energy: 1.7757589459750005
Energy: 1.7393813302453545
Energy: 1.6938961163437887
Energy: 1.7792134230834036
Energy: 1.7513634256203
Energy: 1.8071573019262592
Energy: 1.6237509828490946
Energy: 1.6967676588214067
Energy: 1.7263505345619476
Energy: 1.7336599318947645
Energy: 1.6598499467044914
Energy: 1.8071573019293183
Energy: 1.6237509828497814
Energy: 1.696767658817661
Energy: 1.7263505345660677
Energy: 1.6168218298061696
Energy: 1.5387506788578644
Energy: 1.5375987388489394
Energy: 1.3083327511385507
Energy: 1.692137193531756
Energy: 1.6555384326200178
Energy: 1.6168218298106642
Energy: 1.5387506788526832
Energy: 1.5375987388403871
Energy: 1.3083327510740017
Energy: 1.7811667683977694
Energy: 1.5413133030732167
Energy: 1.6941222000478406
Energy: 1.6558011703487385
Energy: 1.692843853250976
Energy: 1.7506304612108181
Energy: 1.7811667683963959
Energy: 1.5413133030749646
Energy: 1.6941222000440954
Energy: 1.6558011703572908
Energy: 1.7775468525784313
Energy: 1.6946706714711215
Energy: 1.6923987769120714
Energy: 1.808431197782904
Energy: 1.7449017101319506
Energy: 1.739172253843822
Energy: 1.777546852582177
Energy: 1.6946706714708093
Energy: 1.6923987769209985
Energy: 1.8084311977863374
Energy: 1.63582051256711
Energy: 1.8078391954068942
Energy: 1.65983786685744
Energy: 1.695248537282842
Energy: 1.751942549914807
Energy: 1.7414902084144535
Energy: 1.6358205125722287
Energy: 1.807839195400714
Energy: 1.6598378668543186
Energy: 1.6952485372776607
Energy: 1.6548836107707434
Energy: 1.5372225418346006
Energy: 1.5422992497011434
Energy: 1.6366746713554363
Energy: 1.5415349044298314
Energy: 1.6934597834541985
Energy: 1.6548836107656246
Energy: 1.537222541831854
Energy: 1.5422992497004566
Energy: 1.6366746713561229
Energy: 1.7513078574803835
Energy: 1.6246790524505186
Energy: 1.5403688127661281
Energy: 1.6487228582128706
Energy: 1.6575291007644974
Energy: 1.8584615234872774
Energy: 1.7513078574738912
Energy: 1.6246790524563244
Energy: 1.540368812770935
Energy: 1.648722858225543
Energy: 1.6935342894465761
Energy: 1.855464075839132
Energy: 1.692657884103215
Energy: 1.694089966899838
Energy: 1.692625065028566
Energy: 1.7435930753147444
Energy: 1.6935342894489485
Energy: 1.8554640758446252
Energy: 1.6926578841073352
Energy: 1.6940899668967166
Energy: 1.693771800908054
Energy: 1.3907609709615056
Energy: 1.6925039043334371
Energy: 1.6938105963117158
Energy: 1.7164803097711185
Energy: 1.7520610117830349
Energy: 1.693771800898815
Energy: 1.3907609709615056
Energy: 1.6925039043419898
Energy: 1.6938105963117158
Energy: 1.6938596297498665
Energy: 1.6555629198286668
Energy: 1.6466172460827977
Energy: 1.5333511847417371
Energy: 1.7565136243999484
Energy: 1.541363176215838
Energy: 1.6938596297457464
Energy: 1.6555629198417139
Energy: 1.6466172460817363
Energy: 1.5333511847431105
Energy: 1.693900050425848
Energy: 1.7522773308870467
Energy: 1.76275136706551
Energy: 1.7833057694012489
Energy: 1.648262093990698
Energy: 1.6556944384047332
Energy: 1.693900050425848
Energy: 1.7522773308781197
Energy: 1.7627513670661965
Energy: 1.7833057693967544
Energy: 1.6934254550275032
Energy: 1.6938382647756545
Energy: 1.7158338244387887
Energy: 1.6936220001627202
Energy: 1.6938161907300553
Energy: 1.6920113904100105
Energy: 1.6934254550316232
Energy: 1.6938382647763413
Energy: 1.7158338244425342
Energy: 1.6936220001637188
Energy: 1.6942239757840254
Energy: 1.6954345559752109
Energy: 1.6934916169660885
Energy: 1.6935662942157559
Energy: 1.694691402300513
Energy: 1.738836737062713
Energy: 1.6942239757789064
Energy: 1.6954345559865098
Energy: 1.6934916169650895
Energy: 1.6935662942174414
Energy: 1.5405665789171343
Energy: 1.692940654947776
Energy: 1.6568764802492155
Energy: 1.6459666156097537
Energy: 1.966552467216895
Energy: 1.77398438834003
Energy: 1.5405665789175087
Energy: 1.6929406549443422
Energy: 1.6568764802509013
Energy: 1.645966615615934
Energy: 1.657815782648895
Energy: 1.6933887161980603
Energy: 1.541418256954739
Energy: 1.763671946655802
Energy: 1.5337857266150192
Energy: 1.647817364098353
Energy: 1.6578157826495818
Energy: 1.6933887161873853
Energy: 1.5414182569554256
Energy: 1.7636719466544284
Energy: 1.5912460496487697
Energy: 1.6956860188879281
Energy: 1.750544601100164
Energy: 1.7146719860099413
Energy: 1.694292534203801
Energy: 1.6931739959825298
Energy: 1.5912460496494565
Energy: 1.6956860188851817
Energy: 1.7505446010984158
Energy: 1.7146719860099413
Energy: 1.753812571953561
Energy: 1.6949120719593735
Energy: 1.6933773570512232
Energy: 1.6919066978270545
Energy: 1.6946401729542737
Energy: 1.6935047214256524
Energy: 1.7538125719494408
Energy: 1.6949120719538802
Energy: 1.693377357053283
Energy: 1.6919066978369803
Energy: 1.6245788612995842
Energy: 1.7361678190431782
Energy: 1.6936894789645136
Energy: 1.6573602365865254
Energy: 1.6472699280414458
Energy: 1.5407939404346414
Energy: 1.6245788613037044
Energy: 1.7361678190339391
Energy: 1.69368947902282
Energy: 1.65736023658278
Energy: 1.5991954152318402
Energy: 1.658465323492032
Energy: 1.6946627184788816
Energy: 1.5412774442142485
Energy: 1.6347695931577655
Energy: 1.5371098882832632
Energy: 1.59919541522566
Energy: 1.6584653234950908
Energy: 1.694662718480255
Energy: 1.5412774442101285
Energy: 1.6495552110356544
Energy: 1.5974794720060084
Energy: 1.6976266192862588
Energy: 1.7526511539706229
Energy: 1.729753125083195
Energy: 1.693352159000903
Energy: 1.6495552110438945
Energy: 1.5974794720070074
Energy: 1.6976266192828253
Energy: 1.7526511539713099
Energy: 1.6928803853419114
Energy: 1.777986357126646
Energy: 1.6946569207638444
Energy: 1.7434394939150748
Energy: 1.6924778771726963
Energy: 1.6935693101589218
Energy: 1.6928803853412249
Energy: 1.7779863571269583
Energy: 1.6946569207607232
Energy: 1.7434394939099558
Energy: 1.6202371524333945
Energy: 1.774829156900768
Energy: 1.7376168213521352
Energy: 1.739095060495495
Energy: 1.6571926174969103
Energy: 1.6938963973731134
Energy: 1.620237152414854
Energy: 1.7748291568993946
Energy: 1.7376168213469538
Energy: 1.7390950604968685
Energy: 1.6071005053732517
Energy: 1.6859113476069516
Energy: 1.6582666897110383
Energy: 1.693149135349684
Energy: 1.692519481507714
Energy: 1.6021754352482942
Energy: 1.6071005053670717
Energy: 1.6859113476093863
Energy: 1.6582666897192784
Energy: 1.693149135354803
Energy: 1.6904876654176726
Energy: 1.8066934992736687
Energy: 1.6546084638583274
Energy: 1.7037142910800345
Energy: 1.7518143908709662
Energy: 1.7032298134081967
Energy: 1.690487665423853
Energy: 1.8066934992767276
Energy: 1.6546084638648824
Energy: 1.7037142910756018
Energy: 1.6931505261594286
Energy: 1.6934408377526324
Energy: 1.7781445855897688
Energy: 1.7521086273874844
Energy: 1.7478871743333728
Energy: 1.7735950577915924
Energy: 1.6931505261573685
Energy: 1.693440837758438
Energy: 1.7781445855901432
Energy: 1.7521086273926032
Energy: 1.6923529493701066
Energy: 1.5412874766455142
Energy: 1.7816481885078475
Energy: 1.7245438318999564
Energy: 1.691702484975906
Energy: 1.6605884294202091
Energy: 1.69235294937354
Energy: 1.5412874766379605
Energy: 1.781648188503415
Energy: 1.724543831913316
Energy: 1.5383828521837088
Energy: 1.686246719600383
Energy: 1.5899935501817326
Energy: 1.6594850368493275
Energy: 1.8086061703655807
Energy: 1.2332722400329554
Energy: 1.5383828521782152
Energy: 1.6862467196079367
Energy: 1.5899935501834805
Energy: 1.659485036841774
Energy: 1.7050001539437563
Energy: 1.5413149160857662
Energy: 1.8066890193532397
Energy: 1.6554399087903637
Energy: 1.7026561548060055
Energy: 1.7513145729712432
Energy: 1.7050001539406974
Energy: 1.5413149160881385
Energy: 1.8066890193549874
Energy: 1.655439908794796
Energy: 1.7783494555520498
Energy: 1.7406304129799757
Energy: 1.6939517845292906
Energy: 1.7768149465618759
Energy: 1.7495144468011592
Energy: 1.7475921157628498
Energy: 1.778349455548991
Energy: 1.7406304129837213
Energy: 1.6939517845241718
Energy: 1.7768149465595038
Energy: 1.661673656880752
Energy: 1.8071730111972037
Energy: 1.5413491564497228
Energy: 1.6955490419472037
Energy: 1.7366701807811724
Energy: 1.7396010682853051
Energy: 1.6616736568759451
Energy: 1.8071730112026974
Energy: 1.541349156451471
Energy: 1.695549041940337
Energy: 1.6551320023272442
Energy: 1.5354041346342788
Energy: 1.686202104370862
Energy: 1.5345182607780423
Energy: 1.319280785341358
Energy: 1.756084727226306
Energy: 1.655132002321376
Energy: 1.535404134631844
Energy: 1.6862021043694884
Energy: 1.5345182607790413
Energy: 1.7524247623035578
Energy: 1.8435863634852054
Energy: 1.5412818025424158
Energy: 1.8906794508339089
Energy: 1.656590410597769
Energy: 1.6923099200385352
Energy: 1.7524247623083646
Energy: 1.843586363484893
Energy: 1.5412818025502815
Energy: 1.8906794508304756
Energy: 1.7487485974715484
Energy: 1.8642486254063988
Energy: 1.9031201440418861
Energy: 1.6928014403407212
Energy: 1.8625722695595723
Energy: 1.7460081075450469
Energy: 1.748748597466367
Energy: 1.8642486254067732
Energy: 1.9031201440408247
Energy: 1.6928014403342289
Energy: 1.76920221513062
Energy: 1.6601311603296052
Energy: 1.8078033049214055
Energy: 1.6529042401978278
Energy: 1.6948367705302403
Energy: 1.7531071628040986
Energy: 1.7692022151223794
Energy: 1.6601311603254851
Energy: 1.8078033049220918
Energy: 1.6529042402105005
Energy: 1.6928562651678807
Energy: 1.6545723308180713
Energy: 1.6119901031399306
Energy: 1.5401362254686308
Energy: 1.5375922592676332
Energy: 1.692741253445542
Energy: 1.692856265158267
Energy: 1.654572330824626
Energy: 1.6119901031399306
Energy: 1.540136225470379
Energy: 1.7561416622619617
Energy: 1.751155169940908
Energy: 1.8545120554014842
Energy: 1.5406261111025323
Energy: 1.6937874756126996
Energy: 1.6572797471570304
Energy: 1.7561416622685164
Energy: 1.7511551699309198
Energy: 1.854512055397364
Energy: 1.540626111105966

minimum gb energy = 1.2332722400329554 eV
minimum distance =  2.573996814072 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 2.653835936742926
Energy: 2.6387477317481323
Energy: 2.576460516490009
Energy: 2.3657571837770717
Energy: 2.577007246624919
Energy: 2.3380086004670293
Energy: 2.6538243949456213
Energy: 2.638747731745279
Energy: 2.5764605164912315
Energy: 2.3499690762307415
Energy: 2.815232786317113
Energy: 2.628823864693931
Energy: 2.6547098199879784
Energy: 2.729949119534975
Energy: 2.6728297371814898
Energy: 2.2400062656547934
Energy: 2.815232786317521
Energy: 2.628823864693523
Energy: 2.6547098199875707
Energy: 2.7299491195321592
Energy: 2.7291581887131846
Energy: 2.6663046308420326
Energy: 2.262863151635167
Energy: 2.569488250137218
Energy: 2.672903527561008
Energy: 2.689659654510366
Energy: 2.729158188710332
Energy: 2.6663037007850274
Energy: 2.262863151633944
Energy: 2.56948825013681
Energy: 2.727381494251303
Energy: 2.672970863101537
Energy: 2.6730948472330476
Energy: 2.6581359194419045
Energy: 2.6862032570441428
Energy: 2.650238032801708
Energy: 2.7273814942508956
Energy: 2.6729708630917557
Energy: 2.67309508849757
Energy: 2.6581359194439425
Energy: 2.6909049850176543
Energy: 2.6541438057142717
Energy: 2.6708730953581408
Energy: 2.8161413474271018
Energy: 2.6033538449550373
Energy: 2.6535596874017444
Energy: 2.690904985019285
Energy: 2.6541438057142717
Energy: 2.6708730953561037
Energy: 2.816141347428325
Energy: 2.5247239394871173
Energy: 2.578686559738795
Energy: 2.536163291909108
Energy: 2.7338228294716114
Energy: 2.6876640212391436
Energy: 2.5769989459630156
Energy: 2.5035098722686637
Energy: 2.5786865597392024
Energy: 2.498878364468659
Energy: 2.7338228294679427
Energy: 2.733803887769379
Energy: 2.575762836794581
Energy: 2.575374627839314
Energy: 2.5286399811754676
Energy: 2.576968585853139
Energy: 2.6874828952403127
Energy: 2.733803887753076
Energy: 2.4389641501802624
Energy: 2.5753746278389067
Energy: 2.430551368875337
Energy: 2.815980370957964
Energy: 2.6709011643353104
Energy: 2.654095532861651
Energy: 2.6909732400659343
Energy: 2.6533778043287164
Energy: 2.603648426527388
Energy: 2.8159803709705984
Energy: 2.6709011643397935
Energy: 2.654095532861651
Energy: 2.690973240067157
Energy: 2.6581641159962666
Energy: 2.6730713590893624
Energy: 2.673013776635103
Energy: 2.7273468216698133
Energy: 2.6519914585790083
Energy: 2.686109550437881
Energy: 2.65816411600075
Energy: 2.673071358962645
Energy: 2.6730137766404014
Energy: 2.727346821668999
Energy: 2.5699140031444108
Energy: 2.262863151630276
Energy: 2.6658836920893942
Energy: 2.7291813113341625
Energy: 2.689801679341517
Energy: 2.6728759087223435
Energy: 2.569914003145633
Energy: 2.262863151631499
Energy: 2.6662461087722726
Energy: 2.7291813113321255
Energy: 2.729767031263408
Energy: 2.654717145081664
Energy: 2.62855936116109
Energy: 2.815144515321211
Energy: 2.240006265643789
Energy: 2.672827933987062
Energy: 2.729767031271967
Energy: 2.6547171450837017
Energy: 2.628559361161905
Energy: 2.8151445153195804
Energy: 2.4237883812100995
Energy: 2.57700724662655
Energy: 2.3321394348547186
Energy: 2.6538027974935883
Energy: 2.638747731757469
Energy: 2.576460516493677
Energy: 2.3948594928637803
Energy: 2.5770072466241043
Energy: 2.3450689033232313
Energy: 2.653426540360743
Energy: 2.7299491195370127
Energy: 2.6727307749217872
Energy: 2.240006265656424
Energy: 2.815232786316706
Energy: 2.628823864693523
Energy: 2.654709819990424
Energy: 2.7299491195317516
Energy: 2.672822456536488
Energy: 2.240006265654386
Energy: 2.8152327863162987
Energy: 2.569488250139256
Energy: 2.672903527562638
Energy: 2.689659654507513
Energy: 2.729158188714
Energy: 2.6662917081696547
Energy: 2.2628631516343525
Energy: 2.5694882501380327
Energy: 2.6729035275614157
Energy: 2.6896596545071056
Energy: 2.7291581887144076
Energy: 2.658135919440682
Energy: 2.6862032570429206
Energy: 2.6502380328143427
Energy: 2.7273814942480423
Energy: 2.672970863092164
Energy: 2.6730948379691117
Energy: 2.658135919442312
Energy: 2.686203257043735
Energy: 2.650238032805784
Energy: 2.7273814942484504
Energy: 2.816141347427509
Energy: 2.603353844955852
Energy: 2.653559687417195
Energy: 2.6909049850188773
Energy: 2.65414380571794
Energy: 2.6708730953561037
Energy: 2.816141347427917
Energy: 2.603353844954222
Energy: 2.653559687429015
Energy: 2.6909049850188773
Energy: 2.733822829473241
Energy: 2.6876640212407743
Energy: 2.576998945962201
Energy: 2.3706669452713025
Energy: 2.5786865597392024
Energy: 2.6397100097229558
Energy: 2.7338228294712033
Energy: 2.687664021241182
Energy: 2.5769989459601628
Energy: 2.370666945268042
Energy: 2.6276653504833947
Energy: 2.576968585853139
Energy: 2.6874828952354215
Energy: 2.7338038877636732
Energy: 2.575762836794173
Energy: 2.575374627839721
Energy: 2.6276653504825798
Energy: 2.5769685858523235
Energy: 2.687482895236645
Energy: 2.733803887751446
Energy: 2.690973240065119
Energy: 2.653377805404658
Energy: 2.6036484265253494
Energy: 2.8159803709705984
Energy: 2.670901164336533
Energy: 2.654095532861244
Energy: 2.690973240065119
Energy: 2.6533778213705226
Energy: 2.6036484265241273
Energy: 2.815980370958779
Energy: 2.727346821670629
Energy: 2.651991456420271
Energy: 2.6861095504460324
Energy: 2.658164115998712
Energy: 2.6730713591545356
Energy: 2.6730137766505906
Energy: 2.727346821671444
Energy: 2.651991453872048
Energy: 2.686109550443587
Energy: 2.658164115997897
Energy: 2.72918131133294
Energy: 2.6898016793382564
Energy: 2.672875908723566
Energy: 2.5699140031476713
Energy: 2.262863151631499
Energy: 2.6658787047379127
Energy: 2.7291813113337553
Energy: 2.6898016793321426
Energy: 2.6728759087203056
Energy: 2.5699140031476713
Energy: 2.8151445153195804
Energy: 2.2400062656433817
Energy: 2.6728157762208835
Energy: 2.7297670312650384
Energy: 2.654717145086962
Energy: 2.62855936116109
Energy: 2.815144515322026
Energy: 2.240006265645012
Energy: 2.672827940122324
Energy: 2.729767031265446
Energy: 2.65381789313618
Energy: 2.6387477317448713
Energy: 2.5764605164912315
Energy: 2.4139990873489467
Energy: 2.5770072466232894
Energy: 2.6873618285259187
Energy: 2.6538331096801198
Energy: 2.6387477317481323
Energy: 2.5764605164904166
Energy: 2.413999087346909
Energy: 2.8152327863179285
Energy: 2.6288238646943385
Energy: 2.6547098199875707
Energy: 2.7299491195317516
Energy: 2.672814733813148
Energy: 2.2400062656547934
Energy: 2.815232786316706
Energy: 2.6288238646931155
Energy: 2.6547098199900163
Energy: 2.7299491195321592
Energy: 2.729158188711555
Energy: 2.6659321874867374
Energy: 2.2628631516343525
Energy: 2.56948825013681
Energy: 2.6729035275606
Energy: 2.6896596545066975
Energy: 2.7291581887144076
Energy: 2.6663041456609093
Energy: 2.2628631516359823
Energy: 2.569488250138441
Energy: 2.7273814942500807
Energy: 2.6729708630852347
Energy: 2.6730950604824155
Energy: 2.6581359194443497
Energy: 2.6862032570323233
Energy: 2.6502380328086366
Energy: 2.7273814942500807
Energy: 2.6729708631072433
Energy: 2.6730951809502974
Energy: 2.6581359194419045
Energy: 2.6909049850201
Energy: 2.6541438057146793
Energy: 2.6708730953556956
Energy: 2.816141347427509
Energy: 2.6033538449550373
Energy: 2.6535596874094884
Energy: 2.690904985018062
Energy: 2.654143805718347
Energy: 2.670873095363032
Energy: 2.8161413474266945
Energy: 2.6913881013609506
Energy: 2.578686559738795
Energy: 2.6397100097245856
Energy: 2.733822829467535
Energy: 2.6876640212387364
Energy: 2.576998945961793
Energy: 2.691388101358098
Energy: 2.578686559738795
Energy: 2.639710009729069
Energy: 2.733822829468758
Energy: 2.7338038877551143
Energy: 2.5757628367900978
Energy: 2.575374627839314
Energy: 2.6276653504858403
Energy: 2.5769685858535465
Energy: 2.6874828952378675
Energy: 2.7338038877677486
Energy: 2.575762836794581
Energy: 2.575374627839314
Energy: 2.6276653504833947
Energy: 2.8159803709726363
Energy: 2.670901164339386
Energy: 2.6540955328596136
Energy: 2.6909732400638964
Energy: 2.6533778038215545
Energy: 2.603648426524942
Energy: 2.815980370960409
Energy: 2.670901164336126
Energy: 2.654095532862467
Energy: 2.6909732400659343
Energy: 2.6581641160003424
Energy: 2.6730713596079734
Energy: 2.6730137766477378
Energy: 2.727346821671037
Energy: 2.6519914531061914
Energy: 2.6861095504403263
Energy: 2.6581641159962666
Energy: 2.6730713594710673
Energy: 2.6730137766505906
Energy: 2.7273468216698133
Energy: 2.569914003144818
Energy: 2.2628631516306834
Energy: 2.665877467028267
Energy: 2.729181311330087
Energy: 2.689801679335403
Energy: 2.672875908726012
Energy: 2.569914003144818
Energy: 2.262863151631092
Energy: 2.6662428890984136
Energy: 2.7291813113309025
Energy: 2.7297670312621856
Energy: 2.6547171450832945
Energy: 2.62855936116109
Energy: 2.8151445153183583
Energy: 2.240006265642974
Energy: 2.672838210925648
Energy: 2.7297670312670763
Energy: 2.65471714508737
Energy: 2.628559361160274
Energy: 2.8151445153195804

minimum gb energy = 2.240006265642974 eV
minimum distance =  2.48341861876042 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.8558249117219972
Energy: 1.5704005142710258
Energy: 1.63277323826843
Energy: 1.4771919371926447
Energy: 1.6243325951457035
Energy: 1.6978990208490645
Energy: 1.8558249117219972
Energy: 1.570400514277738
Energy: 1.6327732382729048
Energy: 1.5218923074759407
Energy: 1.8830427645133574
Energy: 1.7121596897967786
Energy: 1.6949624053552712
Energy: 2.210209448330065
Energy: 2.214746708211763
Energy: 1.6868851094562596
Energy: 1.8830427644976953
Energy: 1.7121596897945413
Energy: 1.6949624053552712
Energy: 2.210209448330065
Energy: 1.7768769914329314
Energy: 2.212766206264025
Energy: 1.6797630806662027
Energy: 1.3249840766603806
Energy: 2.212131768698162
Energy: 2.248007722564852
Energy: 1.7768769511658609
Energy: 2.2127662062685003
Energy: 1.6797630806639656
Energy: 1.3249840766626177
Energy: 2.183291879144119
Energy: 2.2135756965778466
Energy: 2.229270809984203
Energy: 1.5929930217692354
Energy: 2.227329168985347
Energy: 1.9476314302526092
Energy: 2.1832918791329723
Energy: 2.213575696586756
Energy: 2.229270809981965
Energy: 1.592993021766998
Energy: 1.6398523628376473
Energy: 2.2132961215005356
Energy: 1.6782672939445238
Energy: 1.5521148029478116
Energy: 2.227078107454556
Energy: 1.5933141350607323
Energy: 1.6398523628354098
Energy: 2.213296121498298
Energy: 1.6782672939445238
Energy: 1.5521148029522862
Energy: 1.6728357917034447
Energy: 2.212982305941435
Energy: 1.9543919936780945
Energy: 2.203005858724665
Energy: 2.2137174113378526
Energy: 1.55406522327815
Energy: 1.67283579169897
Energy: 2.212982305943673
Energy: 1.9543919936780945
Energy: 2.20300585872914
Energy: 1.6822938649944776
Energy: 1.529326700052867
Energy: 1.7354300250051358
Energy: 1.8622909229890954
Energy: 2.210274699776117
Energy: 2.252198605663268
Energy: 1.6822938649922399
Energy: 1.529326700079675
Energy: 1.7354300250073729
Energy: 1.8622909229958078
Energy: 1.6210234077634644
Energy: 2.4556738381320136
Energy: 2.175108602375134
Energy: 2.2141227438848703
Energy: 1.6323097251492662
Energy: 1.7819362214865209
Energy: 1.621023407767939
Energy: 2.4556738381342513
Energy: 2.175108602377371
Energy: 2.2141227438915823
Energy: 2.21561230598237
Energy: 1.7733529772613894
Energy: 2.0360065212500076
Energy: 1.865952292469829
Energy: 1.6958278101102267
Energy: 2.2089646264424108
Energy: 2.2156123059778947
Energy: 1.7733529772703391
Energy: 2.036006521252245
Energy: 1.865952292469829
Energy: 2.2126621333219814
Energy: 2.2119523597180755
Energy: 2.412706750760325
Energy: 2.213165629019031
Energy: 1.9179069051460775
Energy: 1.4624349379291666
Energy: 2.2126621333286933
Energy: 2.2119523597158386
Energy: 2.412706750762562
Energy: 2.2131656290078436
Energy: 1.8055245772191522
Energy: 1.6155777575758345
Energy: 1.6087858590256254
Energy: 2.213257890835351
Energy: 2.229180774003918
Energy: 1.7368469482425775
Energy: 1.8055245772191522
Energy: 1.6155777575780716
Energy: 1.6087858587706805
Energy: 2.2132578908375877
Energy: 1.752898419671735
Energy: 1.5933674040029848
Energy: 1.639654933388247
Energy: 2.2130980235623023
Energy: 1.6437025762602315
Energy: 1.5308303881279572
Energy: 1.7528984196739725
Energy: 1.5933674040052224
Energy: 1.639654933388247
Energy: 2.2130980235690147
Energy: 2.213313967881067
Energy: 1.6875502876543027
Energy: 1.6726841554658398
Energy: 2.2130709969308815
Energy: 2.3296067126471787
Energy: 1.731113042755887
Energy: 2.213313967883305
Energy: 1.6875502876498276
Energy: 1.6726841554658398
Energy: 2.2130709969308815
Energy: 2.210834100852221
Energy: 2.251365067763632
Energy: 2.2042616683424456
Energy: 2.2243718734617604
Energy: 2.1991230946540283
Energy: 1.6459671773441529
Energy: 2.2108341008499837
Energy: 2.2513650677591572
Energy: 2.2042616683357332
Energy: 2.2243718734617604
Energy: 1.6327689547719002
Energy: 1.6211592067099643
Energy: 1.632216104427042
Energy: 2.4554850645114117
Energy: 2.220647492081737
Energy: 1.5329728156992615
Energy: 1.6327689547719002
Energy: 1.6211592067166767
Energy: 1.6322161044203296
Energy: 2.455485064513649
Energy: 1.631117002965602
Energy: 2.211300616893136
Energy: 2.218130053640467
Energy: 1.838491255139543
Energy: 2.2028356928432125
Energy: 1.7716372347936393
Energy: 1.631117035682444
Energy: 2.211300616893136
Energy: 2.2181300536449426
Energy: 1.8384912551373052
Energy: 1.6753708901209161
Energy: 1.3622811896556888
Energy: 2.212423917637868
Energy: 2.2411018313508535
Energy: 2.20142529320065
Energy: 2.21290275226989
Energy: 1.6753708901231532
Energy: 1.3622811896445017
Energy: 2.212423917637868
Energy: 2.2411018313508535
Energy: 2.2275595521267477
Energy: 1.9066253261789066
Energy: 1.8930019257160426
Energy: 1.6154541288954214
Energy: 1.4296537083983738
Energy: 2.2133111010532396
Energy: 2.227559552131223
Energy: 1.9066253261833814
Energy: 1.8930019257115678
Energy: 1.6154541288976587
Energy: 1.8082328549924025
Energy: 1.6723429883077139
Energy: 1.6403598711047198
Energy: 1.5929909118432268
Energy: 1.534064374312548
Energy: 2.2126448472113207
Energy: 1.8082328549968776
Energy: 1.6723429883457097
Energy: 1.6403598711024823
Energy: 1.5929909118454644
Energy: 1.9112941054253452
Energy: 2.2548304591445256
Energy: 2.2131575356384245
Energy: 1.6373424380764567
Energy: 1.7186180202988228
Energy: 2.2132752611165865
Energy: 1.9112941054275825
Energy: 2.2548304591445256
Energy: 2.2131575356451365
Energy: 1.637342438083169
Energy: 2.1992245372310464
Energy: 2.2343133561731436
Energy: 1.5451866473819542
Energy: 2.2522519803442305
Energy: 2.203999357308917
Energy: 2.225432522774727
Energy: 2.1992245372310464
Energy: 2.2343133561664317
Energy: 1.5451866473774791
Energy: 2.252251980339756
Energy: 2.1873632787374278
Energy: 1.395071051701462
Energy: 1.632017611827047
Energy: 1.5821795028478576
Energy: 1.6321061661143137
Energy: 2.0230338206134104
Energy: 2.1873632787374278
Energy: 1.395071051701462
Energy: 1.6320176118248093
Energy: 1.5821795028478576
Energy: 2.2030046155851024
Energy: 1.8943652100408126
Energy: 1.6133598545100725
Energy: 2.211566365182337
Energy: 2.2192199467412888
Energy: 2.216940131717139
Energy: 2.2030046155962903
Energy: 1.8943652100408126
Energy: 1.6133598545145473
Energy: 2.211566365182337
Energy: 2.249358463631853
Energy: 2.212908634138815
Energy: 1.8764267551071088
Energy: 1.5312717255297132
Energy: 2.2119965607993777
Energy: 2.2163395958531953
Energy: 2.24935846363409
Energy: 2.212908634136577
Energy: 1.8764267551071088
Energy: 1.5312717255207637
Energy: 1.502670943785085
Energy: 2.2130635192145216
Energy: 2.227496567888603
Energy: 1.970123077239984
Energy: 1.9831535335854824
Energy: 1.6156526559410191
Energy: 1.502670943993044
Energy: 2.2130635192167594
Energy: 2.2274965678908405
Energy: 1.9701230772422214
Energy: 1.5343596113733518
Energy: 2.212196407671437
Energy: 1.794419304538141
Energy: 1.459925903540475
Energy: 1.770980899984866
Energy: 1.5931922027489391
Energy: 1.534359611364402
Energy: 2.212196407673675
Energy: 1.794419304540378
Energy: 1.4599259035382377
Energy: 1.863266491621018
Energy: 2.2133976947302103
Energy: 1.599285595930599
Energy: 2.255199443624097
Energy: 2.2137294448950477
Energy: 1.6391440256746137
Energy: 1.8632664916232557
Energy: 2.2133976947324476
Energy: 1.5992855959373111
Energy: 2.255199443626335
Energy: 1.9710218229046497
Energy: 1.9475614123291285
Energy: 2.1992305494551716
Energy: 2.2283284136123593
Energy: 1.6765009494222578
Energy: 2.2525838032469854
Energy: 1.9710218228934624
Energy: 1.9475614123291285
Energy: 2.1992305494529343
Energy: 2.228328413623547
Energy: 1.6968890283391451
Energy: 1.1705630778953533
Energy: 2.201047894362694
Energy: 1.5822102296069533
Energy: 1.631243991621624
Energy: 1.582518935394394
Energy: 1.6968890283391451
Energy: 1.1705630799103828
Energy: 2.201047894362694
Energy: 1.5822102296136655
Energy: 2.2347303784201875
Energy: 1.7350973365436735
Energy: 2.2024639273411353
Energy: 1.8318169522289787
Energy: 1.6216696949373448
Energy: 2.212004378782888
Energy: 2.234730378422425
Energy: 1.735097336545911
Energy: 2.202463927336661
Energy: 1.8318169522245038
Energy: 2.2121292579557092
Energy: 2.240209558539041
Energy: 1.7949309529058641
Energy: 2.210943717431205
Energy: 1.9253590006160437
Energy: 1.9398585745770227
Energy: 2.212129257953472
Energy: 2.2402095585368036
Energy: 1.7949309529081015
Energy: 2.2109437174289677
Energy: 2.2179948356716612
Energy: 1.615819857114155
Energy: 1.5256129324665635
Energy: 2.2134263745177876
Energy: 2.2278663352954964
Energy: 1.889019652074208
Energy: 2.2179948356716612
Energy: 1.6158198571119178
Energy: 1.52561293295412
Energy: 2.213426374520025
Energy: 2.2783630582763843
Energy: 1.5935096697942277
Energy: 1.6102495112677218
Energy: 1.6284673877573879
Energy: 1.7909026048320433
Energy: 1.6387534226993525
Energy: 2.2783630582719097
Energy: 1.5935096697942277
Energy: 1.6102495112677218
Energy: 1.6284673877551508
Energy: 2.2096920921396475
Energy: 1.6387966153802183
Energy: 1.8149385485738865
Energy: 2.213401510384253
Energy: 1.7884333073021874
Energy: 2.2535010097320263
Energy: 2.2096920921351724
Energy: 1.6387966153779807
Energy: 1.8149385484330096
Energy: 2.213401510384253
Energy: 1.8593646375414303
Energy: 2.24948886858082
Energy: 1.7244814135321433
Energy: 2.330633599393712
Energy: 2.199146034919612
Energy: 2.2292870917082954
Energy: 1.859364637548102
Energy: 2.2494888685852947
Energy: 1.7244814135299062
Energy: 2.33063359939595
Energy: 1.6956110425679831
Energy: 1.582202941205983
Energy: 1.632315276955918
Energy: 1.7022434253585954
Energy: 2.2009536728932515
Energy: 1.581182134285532
Energy: 1.695611042561271
Energy: 1.582202941205983
Energy: 1.6323152769939135
Energy: 1.7022434253563985
Energy: 1.6231050686119406
Energy: 2.2125726834938746
Energy: 2.2234846605836656
Energy: 2.2527680751753674
Energy: 1.5119520004565854
Energy: 1.801392801790355
Energy: 1.6231050686164155
Energy: 2.2125726834983492
Energy: 2.2234846605769536
Energy: 2.252768075173171
Energy: 1.9295155519815244
Energy: 1.9669317978469043
Energy: 2.2123194578191394
Energy: 1.698762784536821
Energy: 1.8112112415749149
Energy: 1.6263094848388817
Energy: 1.9295155519837617
Energy: 1.9669317978513792
Energy: 2.2123194578191394
Energy: 1.6987627845301088
Energy: 2.227801467876945
Energy: 1.643440501241978
Energy: 2.217510283799358
Energy: 1.4898407933744173
Energy: 1.6424284659583657
Energy: 2.2136716110500014
Energy: 2.2278014678747073
Energy: 1.6434405016803109
Energy: 2.217510283799358
Energy: 1.4898407933140472
Energy: 1.7903402368899675
Energy: 1.479645611143682
Energy: 1.4232578530208397
Energy: 1.5934932608386307
Energy: 2.2420899404523817
Energy: 1.6278154477950442
Energy: 1.7903402368854924
Energy: 1.4796456111369696
Energy: 1.4232578528374518
Energy: 1.593493260834156
Energy: 2.176650560873403
Energy: 2.246930014423565
Energy: 2.21297257613768
Energy: 1.8776782942135906
Energy: 1.8197938373139604
Energy: 2.2134804199731786
Energy: 2.1766505608689286
Energy: 2.246930014425802
Energy: 2.2129725761332053
Energy: 1.8776782942135906
Energy: 1.9356321648870023
Energy: 1.9557977919951859
Energy: 1.488222829260905
Energy: 2.21469404114834
Energy: 1.5214526604956748
Energy: 2.349183420510427
Energy: 1.9356321648825277
Energy: 1.9557977920041356
Energy: 1.488222829269814
Energy: 2.2146940411528147
Energy: 1.4373784760657273
Energy: 1.5836958726163755
Energy: 1.6836653876282506
Energy: 1.7372178681053392
Energy: 1.752049560274456
Energy: 1.5833870666833527
Energy: 1.4373784760590151
Energy: 1.5836958726230876
Energy: 1.6836653876372003
Energy: 1.7372178681053392
Energy: 2.2380854189183226
Energy: 2.7210649755932277
Energy: 1.6252240935219744
Energy: 2.2135280627651195
Energy: 2.2257594100629072
Energy: 2.250292547417546
Energy: 2.2380854189205595
Energy: 2.7210649755909904
Energy: 1.6252240935219744
Energy: 2.213528062771832
Energy: 1.8291847517019704
Energy: 1.6284821703963084
Energy: 1.7219157316854306
Energy: 1.8089397008479775
Energy: 2.213094652990387
Energy: 2.2479912661565344
Energy: 1.8291847517019704
Energy: 1.6284821703918337
Energy: 1.721915731676481
Energy: 1.8089397008479775
Energy: 1.450559468354862
Energy: 2.7022577829451553
Energy: 2.227428874383345
Energy: 1.5930742039961077
Energy: 2.216900627102248
Energy: 1.4900370641125011
Energy: 1.4505594683638114
Energy: 2.7022577829541055
Energy: 2.227428874372158
Energy: 1.593074203991633
Energy: 2.2431896332947514
Energy: 1.628738138040914
Energy: 1.7904576607040918
Energy: 1.9798781962517693
Energy: 1.5514589554138092
Energy: 1.5935254360426145
Energy: 2.2431896332969887
Energy: 1.6287381380364394
Energy: 1.790457660710804
Energy: 1.9798781962428196
Energy: 2.020127912860557
Energy: 1.7822835942199564
Energy: 1.7097926637121708
Energy: 2.247367847825441
Energy: 2.2099112704309882
Energy: 1.3427702517820408
Energy: 2.0201279128583196
Energy: 1.7822835942199564
Energy: 1.709792663698746
Energy: 2.247367847825441
Energy: 1.9009440164916591
Energy: 2.3298997086485542
Energy: 2.199449489429573
Energy: 1.5793867115196518
Energy: 2.213218459118657
Energy: 2.2542732677126223
Energy: 1.9009440164983717
Energy: 2.3298997086463165
Energy: 2.1994494894273355
Energy: 1.5793867115196518
Energy: 2.059615800299232
Energy: 1.4957587631266853
Energy: 2.200434929628945
Energy: 1.5808730714273518
Energy: 1.8093839465836392
Energy: 1.5819619764222452
Energy: 2.059615800305944
Energy: 1.4957587631311602
Energy: 2.200434929628945
Energy: 1.5808730714273518
Energy: 2.2258187322812466
Energy: 2.214188589360888
Energy: 2.2271617265626924
Energy: 2.5313793249889387
Energy: 1.6497798724683825
Energy: 2.2310934406439347
Energy: 2.2258187322767715
Energy: 2.214188589365363
Energy: 2.227161726558258
Energy: 2.5313793249911765
Energy: 2.2141370364074833
Energy: 2.201442608734412
Energy: 1.8148152235881612
Energy: 1.6170296056865756
Energy: 1.811570304840904
Energy: 1.7115789302890134
Energy: 2.2141370364074833
Energy: 2.2014426087366488
Energy: 1.814815223583727
Energy: 1.6170296056865756
Energy: 2.2169134127753582
Energy: 1.489753884447083
Energy: 1.5376277879210536
Energy: 2.703231877499621
Energy: 2.2271870302125234
Energy: 1.5930846317425105
Energy: 2.2169134127775956
Energy: 1.4897538844515579
Energy: 1.5376277879210536
Energy: 2.7032318775085713
Energy: 1.6716289005702698
Energy: 1.5945356888547464
Energy: 2.244651248229034
Energy: 2.2114258803014986
Energy: 1.7921878243869607
Energy: 1.8288935157003439
Energy: 1.671628904897785
Energy: 1.5945356888547464
Energy: 2.2446512482312713
Energy: 2.2114258803014986
Energy: 2.208453766780884
Energy: 1.9505285952586469
Energy: 1.828812925341998
Energy: 1.7781725629078666
Energy: 1.7850670797034858
Energy: 2.2480530679704684
Energy: 2.208453766780884
Energy: 1.950528595265359
Energy: 1.828812925341998
Energy: 1.778172562914579
Energy: 2.2027389317723736
Energy: 2.2167636403209015
Energy: 1.6503862682261081
Energy: 1.6895046121927508
Energy: 2.1993591313800107
Energy: 1.7485436918439063
Energy: 2.202738931774611
Energy: 2.216763640318664
Energy: 1.6503862682238704
Energy: 1.6895046121949884
Energy: 1.6689985578736664
Energy: 2.2238833287961612
Energy: 2.059024109178041
Energy: 1.7572465489790483
Energy: 2.200296594784566
Energy: 1.5619580241434767
Energy: 1.6689985588867748
Energy: 2.2238833287961612
Energy: 2.0590241091735657
Energy: 1.7572465489745734
Energy: 1.6529005260923324
Energy: 1.8561012321199675
Energy: 2.226037816736192
Energy: 2.2036500641583796
Energy: 2.226641919407568
Energy: 2.2403327747981514
Energy: 1.6529005260878575
Energy: 1.856101232124442
Energy: 2.2260378167339545
Energy: 2.2036500641516676
Energy: 1.7219604006902958
Energy: 1.615549560310686
Energy: 2.2381793570597526
Energy: 2.2154825028512115
Energy: 1.7959938241143036
Energy: 1.6300177024143758
Energy: 1.7219604006925333
Energy: 1.6155495603173982
Energy: 2.2381793570575153
Energy: 2.215482502848974
Energy: 2.2280018497739515
Energy: 1.5934026988059007
Energy: 2.217098448388756
Energy: 1.7089633910190494
Energy: 1.642153187489779
Energy: 2.1732906326227006
Energy: 2.2280018497739515
Energy: 1.5934026988059007
Energy: 2.217098448393231
Energy: 1.7089633910257618

minimum gb energy = 1.1705630778953533 eV
minimum distance =  2.52216997517679 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.5988490250819838
Energy: 1.734324073513276
Energy: 1.73235838687544
Energy: 3.2068094604540875
Energy: 1.7324410493689093
Energy: 2.063844761691306
Energy: 1.598849025080503
Energy: 1.734324073513276
Energy: 1.7323583868739592
Energy: 2.0355657210378655
Energy: 1.542463345611462
Energy: 1.8539239553721252
Energy: 1.7322438241376783
Energy: 1.7325044040250661
Energy: 1.7333846636605
Energy: 1.733656391939902
Energy: 1.542463345611462
Energy: 1.8539239553721252
Energy: 1.732243824139159
Energy: 1.7325044040235853
Energy: 2.0961255078811663
Energy: 1.7327574630512408
Energy: 2.065666082001237
Energy: 1.7321327853275879
Energy: 1.7338500367772642
Energy: 1.8518224913615897
Energy: 2.0961255078811663
Energy: 1.7327574630512408
Energy: 2.065666082001237
Energy: 1.7321327853275879
Energy: 1.735916864702803
Energy: 1.7323951628990013
Energy: 1.6881632499586872
Energy: 1.5398779522520416
Energy: 1.8251191949675762
Energy: 1.541578507040031
Energy: 1.7359168647042835
Energy: 1.7323951628990013
Energy: 1.6881632499586872
Energy: 1.5398779522535224
Energy: 1.73213012613283
Energy: 1.538951129338785
Energy: 1.7399987607527365
Energy: 1.5395752561348066
Energy: 1.6833342321219298
Energy: 1.8137262584217257
Energy: 1.73213012613283
Energy: 1.538951129338785
Energy: 1.739998760742371
Energy: 1.5395752561348066
Energy: 2.101981716120907
Energy: 1.7340349609357644
Energy: 1.7328669131405279
Energy: 2.101981716120907
Energy: 1.7383173950751567
Energy: 1.7384235322884467
Energy: 2.101981716120907
Energy: 1.7340349609357644
Energy: 1.7328669131405279
Energy: 2.101981716120907
Energy: 1.5396404800797001
Energy: 1.7400257269429746
Energy: 1.5389238258287625
Energy: 1.732225888612957
Energy: 1.8137350280493048
Energy: 1.6833045472217711
Energy: 1.5396404800797001
Energy: 1.7400257269429746
Energy: 1.5389238258287625
Energy: 1.7322258886144377
Energy: 1.539954859426338
Energy: 1.6881517220830096
Energy: 1.7324467416132245
Energy: 1.7359160529207813
Energy: 1.5421798586037996
Energy: 1.822333072882146
Energy: 1.539954859426338
Energy: 1.688151722081529
Energy: 1.7324467416117437
Energy: 1.7359160529222621
Energy: 1.7321018414660205
Energy: 1.7517460767427206
Energy: 1.7326273825155878
Energy: 1.9536732627585298
Energy: 1.8518186404822918
Energy: 1.730400279542376
Energy: 1.7321018414660205
Energy: 1.7517460767412398
Energy: 1.7326273825155878
Energy: 1.9536732627585298

minimum gb energy = 1.5389238258287625 eV
minimum distance =  2.55061711450695 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.744078698747787
Energy: 2.587498263672995
Energy: 2.584894910911965
Energy: 1.2672058562939372
Energy: 2.5852036837905055
Energy: 2.5998996362062523
Energy: 2.7440786987423254
Energy: 2.587498263670264
Energy: 2.5848949109228885
Energy: 0.8886486332444709
Energy: 2.5849324660597497
Energy: 2.615183762551423
Energy: 2.5857308363643305
Energy: 2.6141800539090254
Energy: 2.849033974575698
Energy: 2.611564607807462
Energy: 2.5849324660570185
Energy: 2.6151837625486927
Energy: 2.5857308363670617
Energy: 2.6141800539090254
Energy: 2.8455875487883655
Energy: 2.590004089753956
Energy: 2.6527747813096103
Energy: 2.6137295596672856
Energy: 2.6241157248113525
Energy: 2.612906800594032
Energy: 2.845587548791096
Energy: 2.590004089756687
Energy: 2.652774781312341
Energy: 2.613729559661824
Energy: 2.7529100003331175
Energy: 2.589187660454203
Energy: 2.627117604795214
Energy: 2.5864970072853093
Energy: 2.7519882372761804
Energy: 2.5916917278371168
Energy: 2.7529099331053084
Energy: 2.58918766044601
Energy: 2.6271176047870215
Energy: 2.5864970072853093
Energy: 2.610165310681681
Energy: 2.738043969997923
Energy: 2.6065052084591316
Energy: 2.588964252270525
Energy: 2.588872477206628
Energy: 2.613918150569795
Energy: 2.610165310687143
Energy: 2.7380439699951924
Energy: 2.6065052084700553
Energy: 2.5889642522596015
Energy: 2.6178810355497637
Energy: 2.6133014324100414
Energy: 2.5889629173032898
Energy: 2.7302349285851837
Energy: 2.524593215535535
Energy: 2.738569116254249
Energy: 2.617881035563418
Energy: 2.6133014324100414
Energy: 2.5889629173087516
Energy: 2.730234928582452
Energy: 2.5866324870889823
Energy: 2.6112260991256546
Energy: 2.586478810460511
Energy: 2.60663096552805
Energy: 2.5256610567771607
Energy: 2.5835817541385424
Energy: 2.5866324870835204
Energy: 2.6112260991256546
Energy: 2.586478810465973
Energy: 2.6066309655253193
Energy: 2.5844241458305475
Energy: 2.6157113069454696
Energy: 2.84585968899656
Energy: 2.614295166658172
Energy: 2.5843307908716304
Energy: 2.6133328608327275
Energy: 2.584424145827816
Energy: 2.6157113069454696
Energy: 2.845859689010215
Energy: 2.6142951666609036
Energy: 2.6364063941056095
Energy: 2.6549088856093004
Energy: 2.6066399478420412
Energy: 2.613286368959998
Energy: 2.610283825383891
Energy: 2.588713821945737
Energy: 2.636406394111072
Energy: 2.6549088856147627
Energy: 2.6066399324818192
Energy: 2.6132863689654604
Energy: 2.626089801097817
Energy: 2.5888709926065756
Energy: 2.610496253231546
Energy: 2.613903396881547
Energy: 2.6130587831672027
Energy: 2.590975009639036
Energy: 2.626089801097817
Energy: 2.5888709925956515
Energy: 2.61049625324247
Energy: 2.613903396884278
Energy: 2.610998309763095
Energy: 2.5902480339107075
Energy: 2.6034693926327934
Energy: 2.6135465555926314
Energy: 2.6239579628687624
Energy: 2.6166980760803686
Energy: 2.610998309760364
Energy: 2.5902480339134386
Energy: 2.6034693926382557
Energy: 2.6135465555953625
Energy: 2.5840438608007497
Energy: 2.6956143792078326
Energy: 2.525607354683174
Energy: 2.6030427184911886
Energy: 2.5842315311339052
Energy: 2.616923180052801
Energy: 2.5840438608007497
Energy: 2.695614379202371
Energy: 2.525607354683174
Energy: 2.603042718742336
Energy: 2.584777792312063
Energy: 2.805531956270723
Energy: 2.524615550216383
Energy: 2.5768834871607735
Energy: 2.5860214295226243
Energy: 2.6146954809108616
Energy: 2.584777792312063
Energy: 2.8055319562734535
Energy: 2.5246155502054597
Energy: 2.5768834871635047
Energy: 2.6261342815537283
Energy: 2.6140092442050524
Energy: 2.616219907796545
Energy: 2.593219476836751
Energy: 2.606863936230313
Energy: 2.8315573040313273
Energy: 2.6261342815564594
Energy: 2.6140092441941785
Energy: 2.6162199077910833
Energy: 2.59321947683402
Energy: 2.613748464125972
Energy: 2.6138685140649107
Energy: 2.6099323609191085
Energy: 2.5872122822303827
Energy: 2.6266581027409033
Energy: 2.5906067246776407
Energy: 2.6137484641177795
Energy: 2.613868514070373
Energy: 2.609932360927302
Energy: 2.587212282235844
Energy: 2.6079839161364657
Energy: 2.613569097905102
Energy: 2.606800215907917
Energy: 2.5920691028934475
Energy: 2.631689591193627
Energy: 2.588498242046547
Energy: 2.6079839161419267
Energy: 2.6135690979078325
Energy: 2.606802241909567
Energy: 2.5920691028825233
Energy: 2.5841264702952453
Energy: 2.6123369386661928
Energy: 2.8478085962531297
Energy: 2.62062415522125
Energy: 2.5850585685078875
Energy: 2.613329377708349
Energy: 2.5841264703089
Energy: 2.612336938663462
Energy: 2.847808596250399
Energy: 2.6206241552239815
Energy: 2.525607612137849
Energy: 2.6035280568937904
Energy: 2.6130185309595677
Energy: 2.610813814902649
Energy: 2.5867166564860966
Energy: 2.584487037705149
Energy: 2.525607612146042
Energy: 2.6035280568937904
Energy: 2.613018530954106
Energy: 2.6108138149053803
Energy: 2.5250518579563046
Energy: 2.7446253447211837
Energy: 2.585718923917636
Energy: 2.6135380358315645
Energy: 2.5844633059406403
Energy: 2.739491721428052
Energy: 2.525051857953574
Energy: 2.744625344718453
Energy: 2.585718923912174
Energy: 2.613538035815179
Energy: 2.597062696046443
Energy: 2.5892507102506332
Energy: 2.606822697549378
Energy: 2.6108750916971406
Energy: 2.6097985191020627
Energy: 2.614238738252543
Energy: 2.597062696046443
Energy: 2.5892507102506332
Energy: 2.6068226975466473
Energy: 2.6108750916971406
Energy: 2.751454456694724
Energy: 2.586815805653293
Energy: 2.6289041786706235
Energy: 2.5893357086810065
Energy: 2.6787301335773193
Energy: 2.5911775935872288
Energy: 2.751454458455389
Energy: 2.5868158056560238
Energy: 2.628904178667893
Energy: 2.589335708694662
Energy: 2.5988428030120883
Energy: 2.5900117702152503
Energy: 2.6708849426990073
Energy: 2.590144010766048
Energy: 2.619315949405104
Energy: 2.6126605545525914
Energy: 2.5988428030775816
Energy: 2.590011770217981
Energy: 2.6708849427072003
Energy: 2.5901440107687788
Energy: 2.84737703627054
Energy: 2.6136696516559255
Energy: 2.5842623669863305
Energy: 2.6143124889504885
Energy: 2.584609977091378
Energy: 2.6146759964005146
Energy: 2.847377036273271
Energy: 2.6136696516613878
Energy: 2.584262366991793
Energy: 2.6143124889423452
Energy: 2.5852124510891454
Energy: 2.6188394205082366
Energy: 2.5846365256076207
Energy: 2.5794996303758326
Energy: 2.529825616912
Energy: 2.716366828094877
Energy: 2.5852124510864147
Energy: 2.618839420505506
Energy: 2.584636525602159
Energy: 2.5794996303649587
Energy: 2.5870047352691334
Energy: 2.612795358785799
Energy: 2.849332318423062
Energy: 2.6114262108483843
Energy: 2.585883180703381
Energy: 2.6176930337425626
Energy: 2.5870047352664023
Energy: 2.6127953587885306
Energy: 2.849332318433986
Energy: 2.6114262108456536
Energy: 2.653445240797737
Energy: 2.613485692625504
Energy: 2.6136848578463785
Energy: 2.6129669931581376
Energy: 2.8495115231939714
Energy: 2.5905559042470583
Energy: 2.65344524080593
Energy: 2.613485692622773
Energy: 2.613684857840916
Energy: 2.6129669931581376
Energy: 2.6260497788810397
Energy: 2.5867440109911937
Energy: 2.75189993831595
Energy: 2.655975757834271
Energy: 2.7518602997766113
Energy: 2.588657673864457
Energy: 2.6260497788755774
Energy: 2.5867440109802695
Energy: 2.7519018125854315
Energy: 2.6559757578397325
Energy: 2.7163984406925574
Energy: 2.589681952058381
Energy: 2.8467707312768145
Energy: 2.6134922754751813
Energy: 2.610508492814751
Energy: 2.613870154238031
Energy: 2.71639844070075
Energy: 2.589681952066574
Energy: 2.8467707312740838
Energy: 2.613492275477912
Energy: 2.5922416610699175
Energy: 2.5723582443748914
Energy: 2.5247860273134157
Energy: 0.8882291092548149
Energy: 2.638520658576584
Energy: 2.6129968894777793
Energy: 2.592241661072648
Energy: 2.565487920390572
Energy: 2.5247860273134157
Energy: 0.8882291092575458
Energy: 2.5858824279388473
Energy: 2.7402898530777295
Energy: 2.5270263238109045
Energy: 2.583362745769663
Energy: 2.5855435715383437
Energy: 2.6115002742781015
Energy: 2.5858824279443087
Energy: 2.7402898530777295
Energy: 2.527026323816367
Energy: 2.5833627457723933
Energy: 2.8754270985768167
Energy: 2.616624249020946
Energy: 2.584418209910978
Energy: 2.629752578246011
Energy: 2.584849824788431
Energy: 2.632540627526433
Energy: 2.8754270985795474
Energy: 2.616624249020946
Energy: 2.5844182099055155
Energy: 2.6297525781450153
Energy: 2.6061846374222344
Energy: 2.6128993714155286
Energy: 2.613864379883073
Energy: 2.5889198170652707
Energy: 2.73366097557324
Energy: 2.6575304190460107
Energy: 2.606184632702517
Energy: 2.61289937142099
Energy: 2.613864379883073
Energy: 2.588919817057078
Energy: 2.6240688271175943
Energy: 2.614224223298445
Energy: 2.616017248401394
Energy: 2.5905061171947397
Energy: 2.6342729930478535
Energy: 2.807107338785224
Energy: 2.624068827123056
Energy: 2.6142242232957145
Energy: 2.616017249130208
Energy: 2.5905061171947397
Energy: 2.593368505370183
Energy: 2.6138244931893153
Energy: 2.615981289993938
Energy: 2.6195770843165933
Energy: 2.608776767788291
Energy: 2.5895159636289145
Energy: 2.593368505364721
Energy: 2.613824493194777
Energy: 2.615981289996669
Energy: 2.6195770843356603
Energy: 2.5252532704372683
Energy: 2.644189018479804
Energy: 2.584921801791224
Energy: 2.6159310207481394
Energy: 2.5834534747796427
Energy: 2.6370233331635657
Energy: 2.52525327044273
Energy: 2.644189018315997
Energy: 2.584921801802098
Energy: 2.61593102075087
Energy: 2.5250058577519927
Energy: 2.584547748497943
Energy: 2.588845148576784
Energy: 2.6122264589383146
Energy: 2.585642979879965
Energy: 2.8052294609349797
Energy: 2.5250058577519927
Energy: 2.584547748497943
Energy: 2.588845148576784
Energy: 2.6122264589383146
Energy: 2.6393324611443845
Energy: 2.6128740443533256
Energy: 2.5865789511373642
Energy: 2.8337434993152404
Energy: 2.8459922559004847
Energy: 2.6127761590765637
Energy: 2.6393324611443845
Energy: 2.6128740443505944
Energy: 2.586578951131903
Energy: 2.833743499307048
Energy: 2.609092993031749
Energy: 2.5865105144741745
Energy: 2.6280404678986784
Energy: 2.5907982288046822
Energy: 2.753263282851287
Energy: 2.6133013385864583
Energy: 2.60909299303448
Energy: 2.586510514471443
Energy: 2.6280404678959473
Energy: 2.5907982288019507
Energy: 2.6070560741328492
Energy: 2.5907877060590603
Energy: 2.6317454154413
Energy: 2.586396700053862
Energy: 2.6076446922239764
Energy: 2.6136880133264895
Energy: 2.607056082635968
Energy: 2.5907877060617914
Energy: 2.631745415433157
Energy: 2.5863967000456696
Energy: 2.8493434667359034
Energy: 2.8302866486159393
Energy: 2.5856173768555255
Energy: 2.6134042933931405
Energy: 2.6114216480221706
Energy: 2.612973627171215
Energy: 2.8493434667304416
Energy: 2.830286648624132
Energy: 2.5856173768500637
Energy: 2.613404293382217
Energy: 2.587439980698322
Energy: 2.6111832563477733
Energy: 2.592314012922197
Energy: 2.5847559343421005
Energy: 2.525364735003306
Energy: 2.806980659129778
Energy: 2.5874399806956405
Energy: 2.6111832563450426
Energy: 2.592314012924928
Energy: 2.5847559343421005
Energy: 2.5841650015679365
Energy: 2.6145262036511525
Energy: 2.5850088123015866
Energy: 2.726622872840844
Energy: 2.5251291792310675
Energy: 2.6271451130947394
Energy: 2.5841650015706676
Energy: 2.6145262036566144
Energy: 2.585008812307049
Energy: 2.7266228728435746
Energy: 2.6080515854446786
Energy: 2.727941206882628
Energy: 2.6118185445166797
Energy: 2.6138518174353487
Energy: 2.5897281248389192
Energy: 2.589372565481454
Energy: 2.6080515854446786
Energy: 2.7279412068798963
Energy: 2.6118185445166797
Energy: 2.6138518174298864
Energy: 2.6313177998915473
Energy: 2.5894036257888646
Energy: 2.6848028474512997
Energy: 2.5908388746287554
Energy: 2.7317567085439562
Energy: 2.5883040611360744
Energy: 2.6313177998970096
Energy: 2.5894036257915953
Energy: 2.6848028474458383
Energy: 2.5908388746260242
Energy: 2.752646852825738
Energy: 2.5894088124188532
Energy: 2.6245035772669643
Energy: 2.6131218102058296
Energy: 2.6068490683545735
Energy: 2.6561290775066015
Energy: 2.752646852839343
Energy: 2.589408812413391
Energy: 2.6245035772669643
Energy: 2.613121810203098
Energy: 2.5849050908414326
Energy: 2.7845036910084353
Energy: 2.584138821551835
Energy: 2.6168810603672448
Energy: 2.8756899116648023
Energy: 2.613471484823561
Energy: 2.5849050908387015
Energy: 2.7845036910057046
Energy: 2.5841388215436423
Energy: 2.6168810603645136
Energy: 2.5845598615840486
Energy: 2.580960857450035
Energy: 2.5272867871810147
Energy: 2.713825876057322
Energy: 2.5856515598753385
Energy: 2.613806514440066
Energy: 2.5845598615758556
Energy: 2.5809608574527667
Energy: 2.5272867871810147
Energy: 2.713825876062784
Energy: 2.6256744363803275
Energy: 2.612234108802057
Energy: 2.586891833185271
Energy: 2.6118487279222413
Energy: 2.586981301999437
Energy: 2.612962978554973
Energy: 2.6256744363748656
Energy: 2.6122341088075194
Energy: 2.5868918331798088
Energy: 2.6118487279249223
Energy: 2.611688629490073
Energy: 2.613274259789719
Energy: 2.848118212796336
Energy: 2.5902241842613574
Energy: 2.7045681572524782
Energy: 2.6132129297599347
Energy: 2.6116886294818804
Energy: 2.6132742597951815
Energy: 2.8481182127826816
Energy: 2.5902241842613574

minimum gb energy = 0.8882291092548149 eV
minimum distance =  2.51482821478812 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 2.4583693267070448
Energy: 2.6094868506562023
Energy: 2.526337079995965
Energy: 3.6521466495198913
Energy: 2.5272363067795314
Energy: 2.6094442118552683
Energy: 2.458369326705707
Energy: 2.6094868506558675
Energy: 2.5263370799966336
Energy: 2.335751770130043
Energy: 2.4057912788619054
Energy: 2.6010626538767694
Energy: 2.527285609280679
Energy: 2.596106190448179
Energy: 2.7041482087823216
Energy: 2.7105319157390904
Energy: 2.4057912788619054
Energy: 2.6010626538784423
Energy: 2.527285609282017
Energy: 2.59610619044751
Energy: 2.8177538936233626
Energy: 2.405868090808281
Energy: 2.703234959645777
Energy: 2.537630906095608
Energy: 2.1189687316251655
Energy: 2.477613366234167
Energy: 2.632143848565795
Energy: 2.405868090807946
Energy: 2.7032349596441048
Energy: 2.5376309060946043
Energy: 2.7971168792867744
Energy: 2.405909441261284
Energy: 2.49240415784736
Energy: 2.6879328082269334
Energy: 2.62317270529581
Energy: 2.536828442376088
Energy: 2.7971168792867744
Energy: 2.405909441262622
Energy: 2.492404157848029
Energy: 2.6879328082259297
Energy: 2.52704108042242
Energy: 2.868599884329205
Energy: 2.7434962883093426
Energy: 2.4457247955670165
Energy: 2.6342923414973334
Energy: 2.5208857299373473
Energy: 2.52704108042242
Energy: 2.8685998843271983
Energy: 2.7434962883086738
Energy: 2.4457247955670165
Energy: 2.55503293382371
Energy: 2.5259402643488476
Energy: 2.488092557257796
Energy: 2.7062982965942655
Energy: 2.539268605216492
Energy: 2.6190958003161406
Energy: 2.5550329338247137
Energy: 2.5259402643465068
Energy: 2.488092557256458
Energy: 2.7062982965949347
Energy: 2.537399910889759
Energy: 2.560388592219274
Energy: 2.479624324209971
Energy: 2.6950071232602304
Energy: 2.378989254953649
Energy: 2.724646306795601
Energy: 2.537399910889759
Energy: 2.5603885922195784
Energy: 2.4796243242109743
Energy: 2.6950071232619024
Energy: 2.5376608006559196
Energy: 2.7314387493591377
Energy: 2.7314271707022315
Energy: 2.537296098570047
Energy: 2.524244664390136
Energy: 2.5242918770669225
Energy: 2.537660800657257
Energy: 2.731438749358469
Energy: 2.731427170701897
Energy: 2.5372960985707156
Energy: 2.694528805262489
Energy: 2.4795034702210783
Energy: 2.560521662069102
Energy: 2.537487416449692
Energy: 2.72451521157129
Energy: 2.3791640843385324
Energy: 2.6945288052621548
Energy: 2.479503470222082
Energy: 2.560521662067095
Energy: 2.537487416451364
Energy: 2.7063251015470393
Energy: 2.488108630461173
Energy: 2.5259546922119704
Energy: 2.5550443612625267
Energy: 2.61922303116755
Energy: 2.5424339720133253
Energy: 2.7063251015487118
Energy: 2.4881086304595006
Energy: 2.5259546922139773
Energy: 2.555044361261189
Energy: 2.4456687164295072
Energy: 2.743393066448689
Energy: 2.8685998843195057
Energy: 2.527065253842688
Energy: 2.5209027645804167
Energy: 2.6342923414990054
Energy: 2.445668716427166
Energy: 2.7433930664480206
Energy: 2.8685998843181673
Energy: 2.52706525384503
Energy: 2.687936972061866
Energy: 2.492359619875839
Energy: 2.4059226570781957
Energy: 2.685670855403951
Energy: 2.5376030973568295
Energy: 2.6232342988052304
Energy: 2.687936972062535
Energy: 2.492359619874501
Energy: 2.405922657079199
Energy: 2.6856708554036164
Energy: 2.537483931806669
Energy: 2.703327515842883
Energy: 2.405891465481918
Energy: 2.8177403775533643
Energy: 2.4775934533249138
Energy: 2.5770288786029942
Energy: 2.5374839318086755
Energy: 2.7033275158422136
Energy: 2.4058914654825867
Energy: 2.817740377554033
Energy: 2.5961099340404012
Energy: 2.527322684196891
Energy: 2.600849843498812
Energy: 2.4056654549928043
Energy: 2.7103390101242835
Energy: 2.7041461795562345
Energy: 2.5961099340414044
Energy: 2.5273226841948846
Energy: 2.60084984350015
Energy: 2.40566545499247
Energy: 2.3357517700424717
Energy: 2.5272363067812043
Energy: 2.580961884543851
Energy: 2.458369326700356
Energy: 2.609486850654529
Energy: 2.52633707999262
Energy: 2.3357517700986326
Energy: 2.5272363067812043
Energy: 2.580961884542513
Energy: 2.4583693266993527
Energy: 2.5961061904485137
Energy: 2.7041482087816533
Energy: 2.710531915740428
Energy: 2.4057912788632434
Energy: 2.601062653881452
Energy: 2.5272856092776688
Energy: 2.5961061904491824
Energy: 2.7041482087823216
Energy: 2.7105319157407624
Energy: 2.405791278863912
Energy: 2.5376309060925974
Energy: 2.1189687316268375
Energy: 2.477613366233498
Energy: 2.7259872762285933
Energy: 2.405868090807308
Energy: 2.703234959648118
Energy: 2.5376309060932662
Energy: 2.118968731627172
Energy: 2.4776133662331636
Energy: 2.7259872762326065
Energy: 2.687932808224926
Energy: 2.6231727052948064
Energy: 2.5368284423754193
Energy: 2.7971168792851024
Energy: 2.4059094412656323
Energy: 2.492404157845019
Energy: 2.6879328082255953
Energy: 2.6231727052961444
Energy: 2.5368284423740812
Energy: 2.7971168792854364
Energy: 2.4457247955643413
Energy: 2.6342923414916477
Energy: 2.5208857299390193
Energy: 2.5270410804180723
Energy: 2.868599884327867
Energy: 2.743496288309677
Energy: 2.4457247955633377
Energy: 2.6342923414973334
Energy: 2.5208857299406917
Energy: 2.5270410804184067
Energy: 2.706298296592593
Energy: 2.539268605220505
Energy: 2.619095800316475
Energy: 2.5550329338210345
Energy: 2.525940264349182
Energy: 2.4880925572551194
Energy: 2.706298296592593
Energy: 2.5392686052195024
Energy: 2.6190958003158062
Energy: 2.5550329338203657
Energy: 2.6950071232588924
Energy: 2.3789892549549867
Energy: 2.7246463067962696
Energy: 2.5373999108900938
Energy: 2.5603885922205816
Energy: 2.4796243242109743
Energy: 2.6950071232612336
Energy: 2.3789892549533147
Energy: 2.7246463067972733
Energy: 2.5373999108917658
Energy: 2.53729609857105
Energy: 2.5242446643918086
Energy: 2.524291877070267
Energy: 2.537660800654916
Energy: 2.7314387493601413
Energy: 2.731427170707218
Energy: 2.5372960985707156
Energy: 2.524244664393816
Energy: 2.5242918770692633
Energy: 2.537660800655585
Energy: 2.5374874164493573
Energy: 2.7245152115686144
Energy: 2.3791640843345188
Energy: 2.6945288052641616
Energy: 2.47950347022342
Energy: 2.5605216620644193
Energy: 2.537487416449023
Energy: 2.72451521156828
Energy: 2.379164084337195
Energy: 2.6945288052648304
Energy: 2.5550443612591818
Energy: 2.6192230311685534
Energy: 2.5424339720133253
Energy: 2.7063251015487118
Energy: 2.4881086304605033
Energy: 2.5259546922113016
Energy: 2.5550443612585125
Energy: 2.61922303116755
Energy: 2.5424339720146327
Energy: 2.706325101548377
Energy: 2.5270652538443605
Energy: 2.520902764582423
Energy: 2.634292341498671
Energy: 2.4456687164275004
Energy: 2.743393066448355
Energy: 2.8685998843185025
Energy: 2.5270652538443605
Energy: 2.520902764582423
Energy: 2.63429234149633
Energy: 2.445668716428169
Energy: 2.6856708554056232
Energy: 2.537603097357833
Energy: 2.6232342988022204
Energy: 2.6879369720608626
Energy: 2.4923596198711566
Energy: 2.405922657079199
Energy: 2.6856708554036164
Energy: 2.5376030973581676
Energy: 2.623234298802889
Energy: 2.6879369720605286
Energy: 2.8177403775580467
Energy: 2.4775934533229074
Energy: 2.5770288786003186
Energy: 2.537483931803993
Energy: 2.7033275158445553
Energy: 2.4058914654855665
Energy: 2.8177403775580467
Energy: 2.4775934533245794
Energy: 2.57702887860266
Energy: 2.5374839318003137
Energy: 2.4056654549931387
Energy: 2.7103390101216074
Energy: 2.704146179555231
Energy: 2.5961099340444145
Energy: 2.5273226841945498
Energy: 2.6008498434998155
Energy: 2.405665454993473
Energy: 2.7103390101206344
Energy: 2.7041461795548964
Energy: 2.596109934045418
Energy: 2.4583693267501614
Energy: 2.6094868506555327
Energy: 2.526337079995965
Energy: 2.652755152398454
Energy: 2.5272363067781933
Energy: 2.6094442118542647
Energy: 2.4583693267668854
Energy: 2.6094868506555327
Energy: 2.5263370799969684
Energy: 2.6527551523647026
Energy: 2.4057912788619054
Energy: 2.601062653877773
Energy: 2.5272856092823512
Energy: 2.5961061904478444
Energy: 2.704148208780984
Energy: 2.7105319157390904
Energy: 2.4057912788622398
Energy: 2.601062653879111
Energy: 2.527285609281013
Energy: 2.596106190448179
Energy: 2.8177538936233626
Energy: 2.4058680908089496
Energy: 2.7032349596434355
Energy: 2.5376309060952726
Energy: 2.1189687316275063
Energy: 2.477613366234167
Energy: 2.6321438485654607
Energy: 2.4058680908089496
Energy: 2.7032349596454424
Energy: 2.53763090609427
Energy: 2.797116879285771
Energy: 2.4059094412622875
Energy: 2.4924041578483633
Energy: 2.687932808226264
Energy: 2.623172705294472
Energy: 2.536828442372409
Energy: 2.7971168792867744
Energy: 2.405909441261618
Energy: 2.49240415784736
Energy: 2.6879328082259297
Energy: 2.527041080423423
Energy: 2.8685998843271983
Energy: 2.7434962883086738
Energy: 2.4457247955663477
Energy: 2.634292341494323
Energy: 2.5208857299390193
Energy: 2.527041080423089
Energy: 2.8685998843285363
Energy: 2.7434962883090077
Energy: 2.445724795567351
Energy: 2.5550329338247137
Energy: 2.5259402643458375
Energy: 2.4880925572571266
Energy: 2.706298296595269
Energy: 2.5392686052195024
Energy: 2.6190958003158062
Energy: 2.55503293382371
Energy: 2.5259402643488476
Energy: 2.488092557257796
Energy: 2.706298296593931
Energy: 2.5373999108890897
Energy: 2.5603885922186054
Energy: 2.4796243242109743
Energy: 2.6950071232639092
Energy: 2.378989254955321
Energy: 2.7246463067949316
Energy: 2.5373999108900938
Energy: 2.5603885922205816
Energy: 2.479624324209302
Energy: 2.6950071232602304
Energy: 2.5376608006562535
Energy: 2.7314387493591377
Energy: 2.731427170701897
Energy: 2.537296098570047
Energy: 2.524244664391474
Energy: 2.524291877068929
Energy: 2.537660800656588
Energy: 2.731438749359472
Energy: 2.7314271707032045
Energy: 2.537296098570047
Energy: 2.694528805262489
Energy: 2.4795034702214127
Energy: 2.5605216620680986
Energy: 2.5374874164510293
Energy: 2.724515211570287
Energy: 2.3791640843361908
Energy: 2.6945288052618204
Energy: 2.4795034702210783
Energy: 2.560521662070075
Energy: 2.537487416449692
Energy: 2.706325101548377
Energy: 2.4881086304595006
Energy: 2.5259546922139773
Energy: 2.555044361261189
Energy: 2.6192230311648745
Energy: 2.5424339720133253
Energy: 2.7063251015470393
Energy: 2.488108630460838
Energy: 2.5259546922119704
Energy: 2.5550443612621923
Energy: 2.4456687164275004
Energy: 2.743393066448689
Energy: 2.8685998843181673
Energy: 2.5270652538446954
Energy: 2.5209027645817548
Energy: 2.6342923414996746
Energy: 2.4456687164301765
Energy: 2.743393066448355
Energy: 2.8685998843191713
Energy: 2.527065253842688
Energy: 2.6879369720628694
Energy: 2.4923596198748355
Energy: 2.405922657079199
Energy: 2.685670855403282
Energy: 2.5376030973585024
Energy: 2.623234298805899
Energy: 2.6879369720615314
Energy: 2.4923596198761735
Energy: 2.405922657077192
Energy: 2.685670855403282

minimum gb energy = 2.1189687316251655 eV
minimum distance =  2.5042294960915 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.5626487684665769
Energy: 1.82976920670728
Energy: 1.8282242175001469
Energy: 2.185000405377604
Energy: 1.8282069600998951
Energy: 2.3792437623450824
Energy: 1.5626487684647632
Energy: 1.8297692067078843
Energy: 1.8282242175007513
Energy: 2.6167790995829097
Energy: 1.8286610096954876
Energy: 2.6655140622241422
Energy: 1.8281693291129795
Energy: 2.3779564561644047
Energy: 2.7715673685725726
Energy: 1.8288094812198923
Energy: 1.8286610096954876
Energy: 2.6655140622211198
Energy: 1.828169329113584
Energy: 2.0361293768694964
Energy: 1.884003244663437
Energy: 1.560021358739742
Energy: 2.8281112054079616
Energy: 1.558096524465728
Energy: 1.8891288337689165
Energy: 1.8287410017311188
Energy: 1.8840032446622277
Energy: 1.5600213587403466
Energy: 2.8281112054079616
Energy: 1.558096524464519
Energy: 2.8280697758184545
Energy: 1.559112163912316
Energy: 1.8839750059909384
Energy: 1.8287153892783397
Energy: 1.8891096877955855
Energy: 1.5578928095549793
Energy: 2.8280697758184545
Energy: 1.5591121639129206
Energy: 1.883975005989125
Energy: 1.8287153892783397
Energy: 1.828154852937586
Energy: 2.71800011590041
Energy: 1.8288450398812848
Energy: 1.828741900577638
Energy: 2.7714772964647767
Energy: 2.738617624853165
Energy: 1.828154852937586
Energy: 2.7180001159010145
Energy: 1.8288450398812848
Energy: 1.8287419005764287
Energy: 1.8282069600998951
Energy: 1.8845466488424145
Energy: 1.5626487684665769
Energy: 1.82976920670728
Energy: 1.8282242175013559
Energy: 2.655129908064024
Energy: 1.8282069601004998
Energy: 1.9234324323236967
Energy: 1.5626487684647632
Energy: 1.8297692067078843
Energy: 2.771567368573177
Energy: 1.8288094812192877
Energy: 1.828661009694883
Energy: 2.613370458195452
Energy: 1.8281693291129795
Energy: 1.995206157729215
Energy: 2.771567368573177
Energy: 1.8288094812198923
Energy: 1.828661009694883
Energy: 2.5621536278839283
Energy: 1.889128833768312
Energy: 1.82874100172991
Energy: 1.884003244663437
Energy: 1.5600213587403466
Energy: 2.8281112054073567
Energy: 1.5580965244639147
Energy: 1.889128833768312
Energy: 1.8287410017317234
Energy: 1.8840032446628323
Energy: 1.560021358739742
Energy: 1.8891096877967946
Energy: 1.5578928095549793
Energy: 2.8280697758184545
Energy: 1.559112163912316
Energy: 1.8839750059897293
Energy: 1.8287153892783397
Energy: 1.8891096877955855
Energy: 1.5578928095543747
Energy: 2.8280697758184545
Energy: 1.5591121639129206
Energy: 2.771477296465985
Energy: 2.512353502104231
Energy: 1.8281548529381904
Energy: 3.062157603436479
Energy: 1.8288450398812848
Energy: 1.828741900577638
Energy: 2.7714772964647767
Energy: 2.5123535021024175
Energy: 1.8281548529381904
Energy: 2.7180001158998057
Energy: 1.8282242175007513
Energy: 2.6551299080634196
Energy: 1.8282069600998951
Energy: 1.8845466488436236
Energy: 1.5626487684665769
Energy: 1.82976920670728
Energy: 1.8282242175007513
Energy: 2.377079611731945
Energy: 1.8282069600998951
Energy: 1.8845466488424145
Energy: 1.828169329113584
Energy: 2.0361293768725197
Energy: 2.7715673685725726
Energy: 1.8288094812198923
Energy: 1.828661009694883
Energy: 2.528045828078909
Energy: 1.828169329113584
Energy: 2.036129376871915
Energy: 2.771567368573177
Energy: 1.8288094812192877
Energy: 2.8281112054079616
Energy: 1.5580965244639147
Energy: 1.889128833768312
Energy: 1.82874100172991
Energy: 1.8840032446628323
Energy: 1.5600213587403466
Energy: 2.8281112054079616
Energy: 1.5580965244633103
Energy: 1.889128833768312
Energy: 1.8287410017317234
Energy: 1.8839750059903337
Energy: 1.8287153892783397
Energy: 1.88910968779619
Energy: 1.5578928095561884
Energy: 2.8280697758184545
Energy: 1.5591121639117116
Energy: 1.8839750059897293
Energy: 1.8287153892789438
Energy: 1.88910968779619
Energy: 1.557892809555584
Energy: 1.8288450398806801
Energy: 1.828741900575824
Energy: 2.771477296465985
Energy: 2.512353502104231
Energy: 1.8281548529381904
Energy: 3.0621576034316424
Energy: 1.8288450398800757
Energy: 1.828741900577638
Energy: 2.7714772964647767
Energy: 2.5123535021024175
Energy: 1.5626487684647632
Energy: 1.82976920670728
Energy: 1.8282242175007513
Energy: 2.655129908064024
Energy: 1.8282069600998951
Energy: 1.8845466488430191
Energy: 1.5626487684671815
Energy: 1.82976920670728
Energy: 1.8282242175007513
Energy: 2.6551299080646285
Energy: 1.828661009694883
Energy: 2.4561406602235585
Energy: 1.828169329113584
Energy: 1.8841356071055515
Energy: 2.771567368573177
Energy: 1.8288094812192877
Energy: 1.828661009694883
Energy: 2.4561406602247677
Energy: 1.8281693291141883
Energy: 1.884135607104947
Energy: 1.8840032446610189
Energy: 1.5600213587403466
Energy: 2.8281112054085655
Energy: 1.558096524465728
Energy: 1.8891288337677075
Energy: 1.8287410017293053
Energy: 1.884003244663437
Energy: 1.560021358740951
Energy: 2.8281112054079616
Energy: 1.558096524465728
Energy: 2.8280697758184545
Energy: 1.559112163913525
Energy: 1.883975005989125
Energy: 1.828715389277735
Energy: 1.88910968779619
Energy: 1.5578928095549793
Energy: 2.8280697758184545
Energy: 1.559112163912316
Energy: 1.8839750059903337
Energy: 1.8287153892783397
Energy: 1.828154852937586
Energy: 3.0621576034334566
Energy: 1.8288450398806801
Energy: 1.8287419005764287
Energy: 2.771477296465381
Energy: 2.512353502104231
Energy: 1.828154852937586
Energy: 3.062157603434061
Energy: 1.8288450398812848
Energy: 1.828741900577638
Energy: 1.8282069600998951
Energy: 1.8845466488424145
Energy: 1.5626487684647632
Energy: 1.82976920670728
Energy: 1.8282242175007513
Energy: 2.655129908065233
Energy: 1.8282069601004998
Energy: 1.8845466488436236
Energy: 1.5626487684665769
Energy: 1.82976920670728
Energy: 2.771567368573782
Energy: 1.8288094812198923
Energy: 1.828661009694883
Energy: 2.4561406602241633
Energy: 1.828169329113584
Energy: 1.8841356071079696
Energy: 2.7715673685725726
Energy: 1.8288094812198923
Energy: 1.828661009694883
Energy: 2.4561406602223776

minimum gb energy = 1.5578928095543747 eV
minimum distance =  2.59482233840305 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.991743683476373
Energy: 0.5785259090299693
Energy: 2.0210359799237034
Energy: 3.0931969035319256
Energy: 2.0215811676074362
Energy: 1.1266770387754854
Energy: 1.9917436834736328
Energy: 0.5785259091860656
Energy: 2.0210359799264435
Energy: 0.7334033619243648
Energy: 1.9957899043285945
Energy: 1.0465673017627664
Energy: 2.0200371270884236
Energy: 2.028631393961316
Energy: 2.0842467540104224
Energy: 1.9521173209199796
Energy: 1.995789904331335
Energy: 1.0465673017627664
Energy: 2.0200371270856836
Energy: 2.0286313939585754
Energy: 2.2431157701708404
Energy: 1.7553672637130622
Energy: 0.7350598371698146
Energy: 2.2043355140177603
Energy: 0.6148475258150161
Energy: 0.9152714526147023
Energy: 2.2431157701818014
Energy: 1.7553672637212827
Energy: 0.7350598372026482
Energy: 2.2043355140232417
Energy: 2.313738307268214
Energy: 1.760285901145195
Energy: 2.1780411393091974
Energy: 1.8489828109941986
Energy: 1.0849205599094376
Energy: 1.950796984756985
Energy: 2.3137383072654734
Energy: 1.7602859011424548
Energy: 2.178041139306457
Energy: 1.8489828109914583
Energy: 1.6314257457023082
Energy: 0.7370024880175533
Energy: 1.8973094790275737
Energy: 0.8155504968915722
Energy: 1.957795330368046
Energy: 1.891703612844516
Energy: 1.6314257457023082
Energy: 0.7370024849142098
Energy: 1.8973094790275737
Energy: 0.815550496899793
Energy: 1.633761233418681
Energy: 2.2798654805361283
Energy: 1.6806710640579587
Energy: 0.7709654912338487
Energy: 1.9924112283348838
Energy: 1.3039152347418836
Energy: 1.6337612334268523
Energy: 2.2798654805333873
Energy: 1.6806710640552185
Energy: 0.7709654319714845
Energy: 0.7789875762287631
Energy: 1.684126545713822
Energy: 1.8454455572509836
Energy: 2.1694806141527887
Energy: 1.139766767786453
Energy: 2.0914765308619403
Energy: 0.7789875765464862
Energy: 1.6841265457193024
Energy: 1.8454455572537238
Energy: 2.169480614147308
Energy: 0.5520523657007653
Energy: 1.6958883527941584
Energy: 2.285481398871954
Energy: 1.7667636215699078
Energy: 1.218679589119124
Energy: 2.200608634153831
Energy: 0.5520701549081019
Energy: 1.6958883527968986
Energy: 2.2854813988609926
Energy: 1.7667636215672171
Energy: 0.7731670214950146
Energy: 2.1336843586367933
Energy: 0.7868829205664802
Energy: 1.8760055782349119
Energy: 1.9243440808179353
Energy: 1.926294748277388
Energy: 0.7731670394742479
Energy: 2.1336843586422747
Energy: 0.7868829205637401
Energy: 1.8760055782321716
Energy: 1.7726921708018335
Energy: 2.089765862743893
Energy: 1.6872850377066841
Energy: 0.5871612410251497
Energy: 1.9402792024163256
Energy: 1.2332531378359313
Energy: 1.7726921708018335
Energy: 2.089765862746634
Energy: 1.687285037703944
Energy: 0.5871612409868355
Energy: 1.9998568571129516
Energy: 2.1171763870573836
Energy: 1.6637883328464986
Energy: 0.5175286574323776
Energy: 1.7775990798667716
Energy: 2.2938878632623405
Energy: 1.9998568571129516
Energy: 2.1171763870546436
Energy: 1.6637883328519794
Energy: 0.5175286069651197
Energy: 1.9985135495614428
Energy: 1.693105235172603
Energy: 0.5534479385405765
Energy: 1.824643330096254
Energy: 0.79158764241594
Energy: 1.0088463584766045
Energy: 1.9985135495532218
Energy: 1.6931052351698628
Energy: 0.5534479444953069
Energy: 1.8246433300935136
Energy: 0.7638217073816899
Energy: 1.6720852962691475
Energy: 2.350424198557125
Energy: 1.625101924713307
Energy: 1.9486659998098743
Energy: 1.9396770353972825
Energy: 0.763821707986993
Energy: 1.6720852962664075
Energy: 2.3504241985626053
Energy: 1.6251019247187874
Energy: 1.8502999826913913
Energy: 0.9853582523593903
Energy: 1.7615339176884572
Energy: 2.1879942233464638
Energy: 2.2251456097685214
Energy: 1.9232206229972792
Energy: 1.8502999826832205
Energy: 0.9853582724202904
Energy: 1.7615339176884572
Energy: 2.1879942233382423
Energy: 2.0124643210496584
Energy: 0.8770697206522448
Energy: 1.5450720937997329
Energy: 1.9415227057757796
Energy: 1.7599623978697714
Energy: 1.110203105155376
Energy: 2.0124643210496584
Energy: 0.877069720778248
Energy: 1.5450720937915121
Energy: 1.9415227057675588
Energy: 1.8788890768461957
Energy: 1.9559045899161556
Energy: 2.2560562054453306
Energy: 2.201933152360836
Energy: 1.768182953775069
Energy: 2.079254473346706
Energy: 1.8788890768407152
Energy: 1.9559045899188958
Energy: 2.256056205456292
Energy: 2.2019331523663164
Energy: 1.7211213503260838
Energy: 2.0230051577204637
Energy: 1.734152595671444
Energy: 1.6347763058096254
Energy: 2.280805621719598
Energy: 1.9567513136196437
Energy: 1.721121350309642
Energy: 2.0230051577259442
Energy: 1.734152595671444
Energy: 1.6347763058205864
Energy: 1.8311021489486503
Energy: 2.082491550908831
Energy: 2.0498019539909507
Energy: 1.5664705061005912
Energy: 0.979371599448709
Energy: 2.022950959537402
Energy: 1.8311021489541313
Energy: 2.082491550906091
Energy: 2.0498019539882106
Energy: 1.5664705061005912
Energy: 1.8792690621667665
Energy: 0.8031918309991954
Energy: 1.760692630088412
Energy: 2.3505314772069497
Energy: 1.7597500192904638
Energy: 0.8756873592076289
Energy: 1.879269062161286
Energy: 0.8031918309800135
Energy: 1.7606926300911523
Energy: 2.3505314772179102
Energy: 1.84852058177146
Energy: 0.6980328355650028
Energy: 1.7697843684059393
Energy: 2.3713325239516343
Energy: 1.5469348869745738
Energy: 1.8448290522451234
Energy: 1.84852058177146
Energy: 0.6980328351020946
Energy: 1.7697843684059393
Energy: 2.3713325239571152
Energy: 2.269148585468065
Energy: 1.9401129318625612
Energy: 2.217197063872068
Energy: 1.8271147451591288
Energy: 0.4666182684663252
Energy: 1.844458486268601
Energy: 2.2691485854653246
Energy: 1.9401129318570802
Energy: 2.2171970638802896
Energy: 1.8271147451591288
Energy: 1.3405208938763693
Energy: 1.939782977100849
Energy: 1.1823220256822293
Energy: 1.625669566250295
Energy: 2.24720765314195
Energy: 1.687575780820946
Energy: 1.3405208938763693
Energy: 1.939782977100849
Energy: 1.1823220256877096
Energy: 1.6256695662530352
Energy: 0.9182786834283089
Energy: 1.9934056642014095
Energy: 1.4194332505514395
Energy: 1.2055508296429576
Energy: 0.994330592767475
Energy: 1.8967896458937061
Energy: 0.9182786841952388
Energy: 1.99340566420415
Energy: 1.4194332534274394
Energy: 1.2055508296456976
Energy: 1.9979664983990524
Energy: 0.9431532092133045
Energy: 1.777875208549382
Energy: 1.7950616578562875
Energy: 1.6931606204224001
Energy: 0.7782439619924234
Energy: 1.9979664984045329
Energy: 0.9431532092215253
Energy: 1.7778752085521226
Energy: 1.7950616578617682
Energy: 0.932539275192839
Energy: 1.1888184510985198
Energy: 1.92446010359405
Energy: 2.0084841046417776
Energy: 1.6646899982055279
Energy: 0.841002034727689
Energy: 0.9325385880684105
Energy: 1.1888184510985198
Energy: 1.9244601035913098
Energy: 2.0084841046472586
Energy: 0.8365802179056036
Energy: 2.0721931072526507
Energy: 0.7712391592751564
Energy: 1.9465573540616128
Energy: 2.300872422139109
Energy: 1.6920567198888885
Energy: 0.8365802179056036
Energy: 2.0721931072553907
Energy: 0.7712377750807232
Energy: 1.9465573540588725
Energy: 1.9941201742696408
Energy: 1.7944290123790752
Energy: 1.0066636083122413
Energy: 0.773200423484706
Energy: 2.327331797989506
Energy: 1.690061998319429
Energy: 1.99412017426147
Energy: 1.7944290123818156
Energy: 1.0066636083286333
Energy: 0.773200423438171
Energy: 1.7938400742873466
Energy: 1.18632943535267
Energy: 1.007250059719634
Energy: 1.9370251534828484
Energy: 1.6720721548652144
Energy: 0.8536718327623896
Energy: 1.7938400742873466
Energy: 1.1863294354046856
Energy: 1.0072500600455778
Energy: 1.937025153480108
Energy: 1.5522751587578707
Energy: 1.9506336420048975
Energy: 2.2040123485785346
Energy: 0.7430672092464797
Energy: 1.6735792612065834
Energy: 2.242687662884461
Energy: 1.5522751587304677
Energy: 1.950633642010378
Energy: 2.2040123485730545
Energy: 0.7430672092519601
Energy: 1.7773220606075162
Energy: 2.4122302388701313
Energy: 1.9209891160286865
Energy: 1.8521781097050152
Energy: 0.6763667194500352
Energy: 2.0688192609260776
Energy: 1.7773220605992952
Energy: 2.4122302388728714
Energy: 1.9209891160259462
Energy: 1.8521781097050152
Energy: 1.6818131084241847
Energy: 1.7654623721720564
Energy: 1.1012535273993305
Energy: 1.8509039043694917
Energy: 1.892633969035332
Energy: 1.2806306018968456
Energy: 1.681813108416014
Energy: 1.7654623721720564
Energy: 1.101253527404811
Energy: 1.8509039043831932
Energy: 0.9346825161521981
Energy: 1.7706223492157152
Energy: 2.0447459492614346
Energy: 1.8788068200266423
Energy: 0.7576720955885521
Energy: 2.0896221444949057
Energy: 0.9346825161521981
Energy: 1.770622349212975
Energy: 2.044745949272395
Energy: 1.878806820034863
Energy: 1.6399457777332296
Energy: 0.7035872690223615
Energy: 1.9536890009931418
Energy: 1.0368828485828185
Energy: 2.2787289103818353
Energy: 2.142384669518755
Energy: 1.6399457777250086
Energy: 0.7035872690251019
Energy: 1.9536890009904015
Energy: 1.0368828485719073
Energy: 1.6101404730486966
Energy: 0.8216533693473884
Energy: 1.8677999740852798
Energy: 1.0902288315364164
Energy: 2.020923371251051
Energy: 2.1575660838589377
Energy: 1.6101404730486966
Energy: 0.821653369092642
Energy: 1.8677999740852798
Energy: 1.0902288314981021
Energy: 0.7720736910467225
Energy: 1.7310274686443856
Energy: 2.1350680330601226
Energy: 1.8797926757683139
Energy: 2.044825671786261
Energy: 1.7653317741794063
Energy: 0.7720736910467225
Energy: 1.7310274686361646
Energy: 2.1350680330546425
Energy: 1.8797926757683139
Energy: 2.279920335141459
Energy: 1.542954376549383
Energy: 1.892780081110894
Energy: 1.8500162730234826
Energy: 2.069264733869996
Energy: 1.7736238135366191
Energy: 2.2799203351359787
Energy: 1.5429543765027982
Energy: 1.8927800811218551
Energy: 1.8500162730207423
Energy: 1.8227531559130803
Energy: 1.9194566558112125
Energy: 1.0705758165823815
Energy: 1.3510792187880973
Energy: 1.9194769054790433
Energy: 2.411774408449835
Energy: 1.822753155902119
Energy: 1.9194566558112125
Energy: 1.0705758165631998
Energy: 1.3510792188099698
Energy: 1.6224398289563189
Energy: 2.0589152298866322
Energy: 1.6914735040505657
Energy: 0.509705652926606
Energy: 2.20569900242092
Energy: 0.8378335366421972
Energy: 1.6224398289563189
Energy: 2.058915229883892
Energy: 1.6914735040587865
Energy: 0.5097508691860221
Energy: 2.136764499631042
Energy: 0.6193849991969244
Energy: 1.6724806614968108
Energy: 1.9364991159900564
Energy: 1.020084696210863
Energy: 0.8537383734053964
Energy: 2.136764499628302
Energy: 0.6193849691439133
Energy: 1.672480661507772
Energy: 1.9364991159845761
Energy: 1.856902890575223
Energy: 1.6881331300522147
Energy: 0.8467110070559768
Energy: 1.8752916920078055
Energy: 1.1473692610374961
Energy: 1.78443952586045
Energy: 1.856902890575223
Energy: 1.6881331300467344
Energy: 0.846711007077899
Energy: 1.8752916920050655
Energy: 1.4566846299118263
Energy: 1.6638662746315684
Energy: 0.6704495199898176
Energy: 1.7679246053595534
Energy: 0.7463419341482298
Energy: 2.0726134344894014
Energy: 1.4566846299145164
Energy: 1.6638662746343087
Energy: 0.6704495206197832
Energy: 1.7679246053568132
Energy: 1.7665800066459045
Energy: 0.6633719590231048
Energy: 1.6853664861995565
Energy: 1.939974912856839
Energy: 1.9259247053142463
Energy: 1.202427009428382
Energy: 1.7665800066459045
Energy: 0.6633719590614687
Energy: 1.6853664862022968
Energy: 1.9399749128540988
Energy: 1.8734392747158608
Energy: 0.7779528747776316
Energy: 1.6896316503962079
Energy: 1.9155971213425607
Energy: 1.7782600870579517
Energy: 1.9614258702667609
Energy: 1.8734392747131206
Energy: 0.7779528979337041
Energy: 1.6896316503934676
Energy: 1.9155971213425607
Energy: 2.1620685396563784
Energy: 1.6736307760350888
Energy: 2.1243736293370934
Energy: 1.2214665563231795
Energy: 1.998302719399968
Energy: 1.9923177487630226
Energy: 2.1620685396673403
Energy: 1.6736307760323483
Energy: 2.124373629345314
Energy: 1.221466556287556
Energy: 2.235213171793398
Energy: 1.695685418941774
Energy: 1.934248845651536
Energy: 1.628906102893744
Energy: 0.7060667851394584
Energy: 2.012507005961595
Energy: 2.2352131717879673
Energy: 1.6956854189362938
Energy: 1.9342488456542763
Energy: 1.628906102882783
Energy: 2.276669901531927
Energy: 2.185643454923713
Energy: 1.1805495676497355
Energy: 1.8260360309585966
Energy: 0.689022632657649
Energy: 1.9398523595320962
Energy: 2.2766699015291865
Energy: 2.185643454923713
Energy: 1.1805495676442548
Energy: 1.826036030953116
Energy: 1.849171329479061
Energy: 1.8932348728670167
Energy: 1.5541594577246018
Energy: 0.9109515420030015
Energy: 1.7716670925611986
Energy: 1.089541452989622
Energy: 1.8491713294763208
Energy: 1.893234872861536
Energy: 1.5541594577218618
Energy: 0.9109515419975209
Energy: 1.878867644989928
Energy: 2.0215339850647296
Energy: 1.7644833218633316
Energy: 0.7533809094909272
Energy: 1.7636883761850204
Energy: 0.7594554648102729
Energy: 1.8788676449954087
Energy: 2.0215339850565086
Energy: 1.764483321866072
Energy: 0.753380909499148
Energy: 1.0882640510309995
Energy: 2.02280672805141
Energy: 2.346319887399567
Energy: 1.5681417152844384
Energy: 2.247964061813266
Energy: 1.8302556299299575
Energy: 1.088264051066623
Energy: 2.02280672805141
Energy: 2.346319887394086
Energy: 1.5681417152816979

minimum gb energy = 0.4666182684663252 eV
minimum distance =  2.58050983003738 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.6944556783719928
Energy: 1.91654895940141
Energy: 1.9205285291296537
Energy: 3.4197544418234957
Energy: 1.9213792919707802
Energy: 1.9166098908011395
Energy: 1.6944556783749878
Energy: 1.9165489593964185
Energy: 1.9205285291256602
Energy: 2.405156100919086
Energy: 1.7415138096051952
Energy: 2.1407710580239647
Energy: 1.9100143399671685
Energy: 1.9457549947937363
Energy: 2.0811864608687216
Energy: 1.9496714414352998
Energy: 1.7415138096041969
Energy: 2.140771058028956
Energy: 1.9100143399611784
Energy: 1.945754994790741
Energy: 1.7462594690742061
Energy: 1.7343898343115558
Energy: 1.9112541008447712
Energy: 1.7355204693520556
Energy: 1.8902222093300043
Energy: 1.572678256504177
Energy: 1.7462594690742061
Energy: 1.734389834312554
Energy: 1.9112540999766305
Energy: 1.735520469357002
Energy: 1.9027527654752376
Energy: 1.742030291927394
Energy: 1.8709635014241044
Energy: 1.9485492721846613
Energy: 1.8535619720021044
Energy: 1.9482618202402644
Energy: 1.9027527654712444
Energy: 1.742030291926396
Energy: 1.8709635014171162
Energy: 1.9485492721826647
Energy: 1.741899442755251
Energy: 2.1972184563904937
Energy: 1.9251960568557243
Energy: 2.310054590098952
Energy: 1.7369504973289265
Energy: 2.024690163577585
Energy: 1.741899442757202
Energy: 2.3071256303868846
Energy: 1.9251960568497344
Energy: 2.310054590100948
Energy: 1.7425197204806828
Energy: 1.9541255634397745
Energy: 1.763577686515657
Energy: 2.3099187064648437
Energy: 1.77227732963258
Energy: 2.3060194285553823
Energy: 1.7425197204786862
Energy: 1.9541255634387762
Energy: 1.7635776865166553
Energy: 2.30991870646085
Energy: 1.8914826222646628
Energy: 1.7788670513095732
Energy: 2.136053543649454
Energy: 1.9481183776251776
Energy: 1.8561823878371795
Energy: 1.739500978562153
Energy: 1.8914826222636643
Energy: 1.7788670513145648
Energy: 2.1360535436564416
Energy: 1.9481183776221829
Energy: 2.022848250855043
Energy: 1.7436725773996773
Energy: 1.864263214119513
Energy: 1.9475810227653327
Energy: 1.914260087301118
Energy: 1.7360919068350895
Energy: 2.0228482508560415
Energy: 1.743672577398679
Energy: 1.864263214123506
Energy: 1.9475810227653327
Energy: 1.7395716711326776
Energy: 1.9507767314534608
Energy: 2.128225883764549
Energy: 1.947367605341465
Energy: 1.9182778128030331
Energy: 2.1458339019112103
Energy: 1.7395716711336757
Energy: 1.9507767314574542
Energy: 2.128225883769541
Energy: 1.947367605341465
Energy: 1.39491444901598
Energy: 1.6493572740385207
Energy: 1.7623177989257761
Energy: 2.649218471320063
Energy: 1.8833442217783212
Energy: 1.896760959933863
Energy: 1.3949144490189749
Energy: 1.6493572740375222
Energy: 1.7623177989247778
Energy: 2.6492184713230587
Energy: 2.0309109261618907
Energy: 1.9488855283287048
Energy: 1.8730406925733782
Energy: 1.9474569490544436
Energy: 2.135666544361107
Energy: 1.809918453380678
Energy: 2.030910926164886
Energy: 1.9488855283267081
Energy: 1.8730406925723797
Energy: 1.9474569490514484
Energy: 1.9880665286041126
Energy: 1.744944587332935
Energy: 1.9937648852959424
Energy: 1.7890922363868271
Energy: 1.9933590746650451
Energy: 1.7443417298076636
Energy: 1.9880665285991208
Energy: 1.744944587331937
Energy: 1.9937648852949443
Energy: 1.7890922363878252
Energy: 2.0290752576113906
Energy: 1.8087145334041017
Energy: 2.135666544367097
Energy: 1.9481521339954957
Energy: 1.873117160960703
Energy: 1.9488791582039993
Energy: 2.029075257619377
Energy: 1.8087145334041017
Energy: 2.1356665443641014
Energy: 1.9481521339865109
Energy: 1.5962816984818684
Energy: 1.8967088856213117
Energy: 1.8868304627412487
Energy: 2.6491679152859984
Energy: 1.768063707019283
Energy: 1.4861623336215872
Energy: 1.5962816984818684
Energy: 1.8967088856233083
Energy: 1.8868304627442436
Energy: 2.6491679152840013

minimum gb energy = 1.39491444901598 eV
minimum distance =  2.59857511238131 Angstroms
sigma value = 33