Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000
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=3.170121654868126
cohesive_energy=6.626793453681482
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: -4.22544605584842 eV

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

Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: 2.603038671637289
Energy: 0.020996353677210196
Energy: 0.02054208727729539
Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: 2.0603584894364015
Energy: 1.447988554207189
Energy: 0.02035983193616449
Energy: 0.019808635733059316
Energy: 1.4324620198993434
Energy: 0.019808635733059316
Energy: 0.02035983193616449
Energy: 1.447988554207189
Energy: 0.02035983193616449
Energy: 0.019808635733059316
Energy: 1.4324620198974636
Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: 2.9417852814505925
Energy: 0.020996353677210196
Energy: 0.02054208727729539
Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: 2.0603584894364015
Energy: 1.447988554207189
Energy: 0.02035983193616449
Energy: 0.019808635733059316
Energy: 1.4324620198993434
Energy: 0.019808635733059316
Energy: 0.02035983193616449
Energy: 1.447988554207189
Energy: 0.02035983193616449
Energy: 0.019808635733059316
Energy: 1.4324620198993434
Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: 2.9406121266784666
Energy: 0.020996353677210196
Energy: 0.02054208727729539
Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: 2.603038671637289
Energy: 1.447988554207189
Energy: 0.02035983193616449
Energy: 0.019808635733059316
Energy: 1.4324620198993434
Energy: 0.019808635733059316
Energy: 0.02035983193616449
Energy: 1.447988554207189
Energy: 0.02035983193616449
Energy: 0.019808635733059316
Energy: 1.4324620198993434
Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: 2.9406121266784666
Energy: 0.020996353677210196
Energy: 0.02054208727729539
Energy: 0.018848420705159095
Energy: 0.02054208727729539
Energy: 0.020996353677210196
Energy: -22697.498945770447

minimum gb energy = -22697.498945770447 eV
minimum distance =  1.00000438490204e-10 Angstroms
sigma value = 3


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

Energy: 2.3660144492458577
Energy: 2.2383926279172566
Energy: 2.101575151930402
Energy: 2.2250640607273833
Energy: 2.0978920746795233
Energy: 2.1715155213723083
Energy: 2.3660144492458577
Energy: 2.2383926279172566
Energy: 2.1015751519396106
Energy: 2.2250640607273833
Energy: 2.1616950174906613
Energy: 2.108288499063257
Energy: 2.111239699228745
Energy: 2.220022049990668
Energy: 2.099018111715881
Energy: 2.111554778029836
Energy: 2.1616950174906613
Energy: 2.108288499063257
Energy: 2.1112396992333493
Energy: 2.22002204998146
Energy: 2.131373240103355
Energy: 2.1507734687065754
Energy: 2.067144499027325
Energy: 2.17539000134089
Energy: 2.075586047244626
Energy: 2.11208648012032
Energy: 2.131373240103355
Energy: 2.1507734687065754
Energy: 2.067144499027325
Energy: 2.1753900013362855
Energy: 2.082380912516143
Energy: 2.1045097920111684
Energy: 2.0713237652664667
Energy: 2.117549956664977
Energy: 2.0679089887425888
Energy: 2.139711828287236
Energy: 2.082380912525352
Energy: 2.1045097920111684
Energy: 2.0713237652664667
Energy: 2.1175499566879985
Energy: 2.0953577001355335
Energy: 2.088075024086566
Energy: 2.115905494810548
Energy: 2.092781319123555
Energy: 2.0850138898108717
Energy: 2.1069865377928148
Energy: 2.0953577001355335
Energy: 2.088075024086566
Energy: 2.115905494810548
Energy: 2.092781319118951
Energy: 2.116329976217709
Energy: 2.0674274097476353
Energy: 2.097171628603773
Energy: 2.0941758230050915
Energy: 2.1168042052072913
Energy: 2.103674901131451
Energy: 2.116329976217709
Energy: 2.0674274097476353
Energy: 2.097171628603773
Energy: 2.0941758230050915
Energy: 2.099571526430501
Energy: 2.071444628398497
Energy: 2.1390143675329933
Energy: 2.077130411529113
Energy: 2.106259964786318
Energy: 2.0695998150578347
Energy: 2.099571526430501
Energy: 2.071444628398497
Energy: 2.1390143674777837
Energy: 2.077130411529113
Energy: 2.2125669438625515
Energy: 2.1009233663851177
Energy: 2.1568772527063613
Energy: 2.0745585285210817
Energy: 2.1265233686413234
Energy: 2.1520614604462356
Energy: 2.2125669438625515
Energy: 2.1009233663851177
Energy: 2.1568772527063613
Energy: 2.074558528525686
Energy: 2.1128554376643383
Energy: 2.112119194328302
Energy: 2.134949647784462
Energy: 2.127733803861806
Energy: 2.1071613773497178
Energy: 2.2547197464207906
Energy: 2.1128554376643383
Energy: 2.112119194328302
Energy: 2.1349496479040897
Energy: 2.127733803861806
Energy: 2.2319901049070876
Energy: 2.0772000287795205
Energy: 2.20161279208715
Energy: 2.081633310697289
Energy: 2.28923332866764
Energy: 2.2053573089786327
Energy: 2.2319901049070876
Energy: 2.0772000287795205
Energy: 2.2016127920825457
Energy: 2.081633310697289
Energy: 2.1142021000009943
Energy: 2.0982949498993877
Energy: 2.1369469295609056
Energy: 2.0764492193147697
Energy: 2.147208260865826
Energy: 2.2643229776768563
Energy: 2.11420209999639
Energy: 2.0982949498947834
Energy: 2.1369469295609056
Energy: 2.076449219319374
Energy: 2.1014120942972574
Energy: 2.0845020753261445
Energy: 2.1335875341702057
Energy: 2.074752244445281
Energy: 2.10046038698191
Energy: 2.1069168757981864
Energy: 2.1014120942972574
Energy: 2.084502075330749
Energy: 2.1335875341702057
Energy: 2.074752244445281
Energy: 2.0956902179884835
Energy: 2.0674963233346633
Energy: 2.144626657300881
Energy: 2.0926051032729878
Energy: 2.136305633573905
Energy: 2.07933462803979
Energy: 2.095690217993088
Energy: 2.0674963233346633
Energy: 2.144626657300881
Energy: 2.0926051032729878
Energy: 2.084692947851304
Energy: 2.1464513585469787
Energy: 2.0678511261351233
Energy: 2.0963382949052543
Energy: 2.0791773490668812
Energy: 2.1076121922978364
Energy: 2.084692947851304
Energy: 2.146451358542374
Energy: 2.0678511261351233
Energy: 2.0963382949052543
Energy: 2.0753064363178355
Energy: 2.1413667048341964
Energy: 2.08452790508684
Energy: 2.100177124678437
Energy: 2.107103544908488
Energy: 2.099378105109203
Energy: 2.0753064363178355
Energy: 2.1413667048341964
Energy: 2.08452790508684
Energy: 2.100177124678437
Energy: 2.075888272851811
Energy: 2.1379488726177858
Energy: 2.098980437660726
Energy: 2.1110594706496415
Energy: 2.1805878504042577
Energy: 2.1643923605829816
Energy: 2.075888272851811
Energy: 2.1379488726177858
Energy: 2.098980437660726
Energy: 2.1110594706496415
Energy: 2.0942053668217837
Energy: 2.14662597946138
Energy: 2.079731142568003
Energy: 2.1558080371408668
Energy: 2.20478501077034
Energy: 2.2823615471719187
Energy: 2.0942053668217837
Energy: 2.14662597946138
Energy: 2.079731142563399
Energy: 2.1461654139519326
Energy: 2.1517635264084913
Energy: 2.156479284680051
Energy: 2.111841760847519
Energy: 2.1072085289991866
Energy: 2.3271523860641055
Energy: 2.1266258333840615
Energy: 2.1517635264084913
Energy: 2.156479284680051
Energy: 2.111841760847519
Energy: 2.1072085290037914
Energy: 2.0748594147811423
Energy: 2.157084744116576
Energy: 2.0978492288949884
Energy: 2.123987409481367
Energy: 2.1525992034827546
Energy: 2.1402950937542626
Energy: 2.0748594147811423
Energy: 2.157084744116576
Energy: 2.0978492288949884
Energy: 2.123987409481367
Energy: 2.07714155977697
Energy: 2.143530959486413
Energy: 2.0719791686478066
Energy: 2.100538033241551
Energy: 2.0701471416608492
Energy: 2.1244612584847387
Energy: 2.077141559781574
Energy: 2.143530959486413
Energy: 2.0719791686478066
Energy: 2.100538033241551
Energy: 2.094598071822548
Energy: 2.112387096825764
Energy: 2.0666006227615736
Energy: 2.115670233609537
Energy: 2.1036714921590782
Energy: 2.1319177151172375
Energy: 2.094598071822548
Energy: 2.112387096825764
Energy: 2.066600622766178
Energy: 2.099910884163696
Energy: 2.0843579905386616
Energy: 2.114152132888492
Energy: 2.0886689790794213
Energy: 2.0954782306962247
Energy: 2.102488709837239
Energy: 2.0852935028086246
Energy: 2.0843579905386616
Energy: 2.1141521328838877
Energy: 2.0886689790794213
Energy: 2.0954782306962247
Energy: 2.1170029013407134
Energy: 2.071581544090663
Energy: 2.098768319582106
Energy: 2.0852415467020635
Energy: 2.138931488565438
Energy: 2.067583636801389
Energy: 2.1170029013315053
Energy: 2.071581544090663
Energy: 2.098768319582106
Energy: 2.085241547272743
Energy: 2.1701134513538634
Energy: 2.0661538236785106
Energy: 2.1400741924346884
Energy: 2.131601143281939
Energy: 2.124617918199251
Energy: 2.078469345069585
Energy: 2.1701134513538634
Energy: 2.0661538236785106
Energy: 2.1136547247644395
Energy: 2.131601143281939
Energy: 2.197809652787269
Energy: 2.1120729804475595
Energy: 2.107821908209628
Energy: 2.1082106786542765
Energy: 2.112817979269911
Energy: 2.0986699566654017
Energy: 2.197809652768852
Energy: 2.1120729804475595
Energy: 2.107821908209628
Energy: 2.108210678571441
Energy: 2.2248747996933687
Energy: 2.1040397475359605
Energy: 2.1471634006174876
Energy: 2.126925891365582
Energy: 2.2383926279172566
Energy: 2.101575151930402
Energy: 2.2248747996933687
Energy: 2.1040397475359605
Energy: 2.1471634006174876
Energy: 2.126925891416187
Energy: 2.220022049949732
Energy: 2.099018111715881
Energy: 2.111554778029836
Energy: 2.1616950176057266
Energy: 2.108288499063257
Energy: 2.1112396992333493
Energy: 2.2200220499451278
Energy: 2.099018111715881
Energy: 2.111554778029836
Energy: 2.1616950176057266
Energy: 2.1701134513538634
Energy: 2.075586047244626
Energy: 2.1241264329234304
Energy: 2.131373240103355
Energy: 2.1507734687065754
Energy: 2.067144499027325
Energy: 2.1701134513538634
Energy: 2.075586047244626
Energy: 2.11208648012032
Energy: 2.131373240103355
Energy: 2.1175499566879985
Energy: 2.0679089887425888
Energy: 2.139582545825833
Energy: 2.082380912511539
Energy: 2.1045097920111684
Energy: 2.0713237652664667
Energy: 2.1175499566419553
Energy: 2.0679089887379845
Energy: 2.139582545825833
Energy: 2.082380912488518

minimum gb energy = 2.0661538236785106 eV
minimum distance =  2.39489086250088 Angstroms
sigma value = 75


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

Energy: 2.8463989250365205
Energy: 2.340306715055665
Energy: 2.1851047140633995
Energy: 2.3683597810256063
Energy: 2.182178489571551
Energy: 2.3924845087478945
Energy: 2.8463989250365205
Energy: 2.340306715055665
Energy: 2.185104714065646
Energy: 2.2922471396815007
Energy: 2.3003421970948983
Energy: 2.199448178127513
Energy: 2.202480724884003
Energy: 2.340710524782102
Energy: 2.1812095949074157
Energy: 2.321651715857567
Energy: 2.3003421970948983
Energy: 2.172083366680936
Energy: 2.202480724884003
Energy: 2.340710524782102
Energy: 2.1985218068602403
Energy: 2.208832771736468
Energy: 2.193479488292853
Energy: 2.270025757734769
Energy: 2.1850727322004926
Energy: 2.2095613327512655
Energy: 2.1985218068579937
Energy: 2.2088327717342215
Energy: 2.193479488292853
Energy: 2.270025757734769
Energy: 2.2909436618555277
Energy: 2.2814247212805983
Energy: 2.192014718265246
Energy: 2.2698547626074723
Energy: 2.2702273488310274
Energy: 2.1918545420832345
Energy: 2.2909436618555277
Energy: 2.2814247212783516
Energy: 2.192014718265246
Energy: 2.2698547626074723
Energy: 2.2502932369855717
Energy: 2.1616959335515706
Energy: 2.312657005175398
Energy: 2.1810930582452763
Energy: 2.289307083555793
Energy: 2.355446107896877
Energy: 2.2502932369855717
Energy: 2.1616959335515706
Energy: 2.312657005175398
Energy: 2.18109305824303
Energy: 2.297562153161276
Energy: 2.1651500509439567
Energy: 2.342776564858223
Energy: 2.1814232045742976
Energy: 2.298613659245419
Energy: 2.2023024963638926
Energy: 2.297562153161276
Energy: 2.165150050946203
Energy: 2.342776564858223
Energy: 2.1814232045742976
Energy: 2.3790365332058325
Energy: 2.2669054910797035
Energy: 2.4645299791763247
Energy: 2.202804853998274
Energy: 2.366335367259498
Energy: 2.1816888179474327
Energy: 2.3790365332035863
Energy: 2.2669054910819497
Energy: 2.4645299791763247
Energy: 2.202804853998274
Energy: 2.3197736921671637
Energy: 2.2470654774278525
Energy: 2.2106983646270333
Energy: 2.2031786021896194
Energy: 2.427694620361866
Energy: 2.1797297316715394
Energy: 2.3197736921671637
Energy: 2.2470654774278525
Energy: 2.21069836462928
Energy: 2.2031786021896194
Energy: 2.2100146739540945
Energy: 2.161721067403965
Energy: 2.209361207676351
Energy: 2.192054000241777
Energy: 2.2700733520880636
Energy: 2.257363146590888
Energy: 2.2100146739540945
Energy: 2.161721067403965
Energy: 2.209361207680844
Energy: 2.192054000241777
Energy: 2.272803568996119
Energy: 2.3011750666896154
Energy: 2.3038630032929617
Energy: 2.1927424357558993
Energy: 2.277919817348104
Energy: 2.269718372045951
Energy: 2.272803568996119
Energy: 2.3011750666896154
Energy: 2.3038630032929617
Energy: 2.1927424357558993
Energy: 2.183124888466702
Energy: 2.365583464461417
Energy: 2.161294899481934
Energy: 2.3202570227567554
Energy: 2.180536593668037
Energy: 2.341245914287289
Energy: 2.183124888466702
Energy: 2.3340771584758415
Energy: 2.161294899481934
Energy: 2.3202570227567554
Energy: 2.2869933690260917
Energy: 2.3630431819889046
Energy: 2.191840868189385
Energy: 2.3103251069490773
Energy: 2.1809195088448936
Energy: 2.307989989067807
Energy: 2.286993369028339
Energy: 2.3630431819911513
Energy: 2.191840868182645
Energy: 2.3103251069468302
Energy: 2.2948919829463748
Energy: 2.396381382200249
Energy: 2.2692294171228062
Energy: 2.4638631696350277
Energy: 2.202863483062208
Energy: 2.3149846111997405
Energy: 2.2948919829441286
Energy: 2.396381382200249
Energy: 2.2692294171228062
Energy: 2.4638631696350277
Energy: 2.2681530965393613
Energy: 2.3211948985041526
Energy: 2.211542126259247
Energy: 2.36267801644083
Energy: 2.182485589495513
Energy: 2.3368603558594354
Energy: 2.2681530965393613
Energy: 2.321194898501906
Energy: 2.2115421262614943
Energy: 2.3538594254289915
Energy: 2.2128150296187408
Energy: 2.191388470089462
Energy: 2.161631678280617
Energy: 2.3631683752614565
Energy: 2.1914806619503
Energy: 2.2699940625058073
Energy: 2.2128150296187408
Energy: 2.1819433401457657
Energy: 2.16163167827837
Energy: 2.36316837525921
Energy: 2.2701460953845976
Energy: 2.191586462808259
Energy: 2.283653598463263
Energy: 2.1618530220598453
Energy: 2.191636488179326
Energy: 2.3020660348382878
Energy: 2.2701460953845976
Energy: 2.191586462808259
Energy: 2.283653598463263
Energy: 2.1618530220598453
Energy: 2.3205886789535994
Energy: 2.181836073074843
Energy: 2.374991664357688
Energy: 2.161326977551164
Energy: 2.3203427688117477
Energy: 2.1795498946720926
Energy: 2.3205886789535994
Energy: 2.181836073074843
Energy: 2.374991664357688
Energy: 2.161326977551164
Energy: 2.3142292493579073
Energy: 2.2025483186083403
Energy: 2.3807171803600977
Energy: 2.165722659597711
Energy: 2.1524190296130428
Energy: 2.224658208228138
Energy: 2.3142292493579073
Energy: 2.2025483186083403
Energy: 2.3807171803600977
Energy: 2.165722659597711
Energy: 2.2973307324727714
Energy: 2.2104546596418118
Energy: 2.3807112789987404
Energy: 2.1645773095738416
Energy: 2.43578692169756
Energy: 2.202115349223903
Energy: 2.2973307324705243
Energy: 2.210454659644058
Energy: 2.3807112789987404
Energy: 2.1645773095738416
Energy: 2.3366907495005402
Energy: 2.1799560441551598
Energy: 2.3203682140340405
Energy: 2.1618807909325968
Energy: 2.374991664357688
Energy: 2.181787035340966
Energy: 2.3366907495027873
Energy: 2.1799560441551598
Energy: 2.3203682140340405
Energy: 2.16188079093035
Energy: 2.270261379531588
Energy: 2.302066034844987
Energy: 2.192722735100431
Energy: 2.1619107068435417
Energy: 2.2836535984610165
Energy: 2.1910404916946957
Energy: 2.270261379531588
Energy: 2.302066034844987
Energy: 2.192722735100431
Energy: 2.1619107068435417
Energy: 2.212607324434438
Energy: 2.270243368691067
Energy: 2.1915014049450448
Energy: 2.311265400080584
Energy: 2.161047511879326
Energy: 2.2765794808501445
Energy: 2.2126073244388906
Energy: 2.270243368691067
Energy: 2.1915014049450448
Energy: 2.292451437670474
Energy: 2.2680458332464197
Energy: 2.3433935079932584
Energy: 2.181581575429054
Energy: 2.3135231812993178
Energy: 2.210835970706386
Energy: 2.3212679640687575
Energy: 2.2680458332464197
Energy: 2.3433935079932584
Energy: 2.181581575429054
Energy: 2.3135231812993178
Energy: 2.293409718973229
Energy: 2.4581642875145544
Energy: 2.202555925182833
Energy: 2.5993767856459553
Energy: 2.268354889891162
Energy: 2.3691016668296445
Energy: 2.2934097189709823
Energy: 2.4581642875123078
Energy: 2.202555925180586
Energy: 2.5993767856459553
Energy: 2.286857626699325
Energy: 2.2986431178275653
Energy: 2.1814813313287993
Energy: 2.312081726819498
Energy: 2.1859134877102586
Energy: 2.4500583736318156
Energy: 2.286857626699325
Energy: 2.2986431178275653
Energy: 2.1814813313287993
Energy: 2.3120817268217446
Energy: 2.1811705364190646
Energy: 2.324555289946449
Energy: 2.181060924012079
Energy: 2.3202304325415657
Energy: 2.1611395621984397
Energy: 2.342799601176888
Energy: 2.1811705364190646
Energy: 2.324555289946449
Energy: 2.181060924009832
Energy: 2.3202304325460585
Energy: 2.272355242464149
Energy: 2.2699573395923607
Energy: 2.2779198173458575
Energy: 2.192044479411983
Energy: 2.2672425991438168
Energy: 2.3011750666896154
Energy: 2.272355242464149
Energy: 2.2699573395923607
Energy: 2.2779198173458575
Energy: 2.192044479411983
Energy: 2.2089367302811302
Energy: 2.261336481476505
Energy: 2.269872562681537
Energy: 2.191934238938577
Energy: 2.209606861817363
Energy: 2.1607404350834445
Energy: 2.2089367302811302
Energy: 2.261336481476505
Energy: 2.26987256267929
Energy: 2.191934238938577
Energy: 2.319844987935375
Energy: 2.180103671676041
Energy: 2.3143870614372317
Energy: 2.2029444679455046
Energy: 2.206500200615621
Energy: 2.248893881213064
Energy: 2.319844987935375
Energy: 2.1801036716737947
Energy: 2.3143870614372317
Energy: 2.2029444679455046
Energy: 2.3796223187106627
Energy: 2.188411521873664
Energy: 2.4365092538837523
Energy: 2.2033140794857777
Energy: 2.5015649730927896
Energy: 2.2666389047964697
Energy: 2.3796223187084165
Energy: 2.188411521869171
Energy: 2.4365092538837523
Energy: 2.2033140794857777
Energy: 2.312909446818653
Energy: 2.2021009638456976
Energy: 2.29845992539302
Energy: 2.1807772970182855
Energy: 2.3239197575414887
Energy: 2.165960899276029
Energy: 2.312909446818653
Energy: 2.2021009638456976
Energy: 2.29845992539302
Energy: 2.1807772970182855
Energy: 2.2098118046546005
Energy: 2.441930619968636
Energy: 2.2878081051329193
Energy: 2.181036242078734
Energy: 2.254698476563364
Energy: 2.160774529385638
Energy: 2.2098118046546005
Energy: 2.441930619968636
Energy: 2.2878081051329193
Energy: 2.181036242078734
Energy: 2.291166338243602
Energy: 2.192047679552908
Energy: 2.269735633359001
Energy: 2.270234620355148
Energy: 2.1916651908832288
Energy: 2.2892423169433918
Energy: 2.291166338243602
Energy: 2.192047679552908
Energy: 2.269735633359001
Energy: 2.270234620355148
Energy: 2.1985517546012283
Energy: 2.2089791562997303
Energy: 2.1813424080772266
Energy: 2.270071659526679
Energy: 2.1937873620445933
Energy: 2.209452497030787
Energy: 2.1985517546012283
Energy: 2.2089791562997303
Energy: 2.1813424080772266
Energy: 2.270071659526679
Energy: 2.304222189125506
Energy: 2.322342465098617
Energy: 2.1812736098544674
Energy: 2.4308445724872696
Energy: 2.2040584772786262
Energy: 2.17166114691824
Energy: 2.304222189125506
Energy: 2.322342465098617
Energy: 2.1812736098544674
Energy: 2.4308445724895162
Energy: 2.8463989250365205
Energy: 2.340306715055665
Energy: 2.185104714011726
Energy: 2.369061406252147
Energy: 2.1821784895693046
Energy: 2.3924845087478945
Energy: 2.8463989250365205
Energy: 2.340306715055665
Energy: 2.185104714011726
Energy: 2.3690614062543935
Energy: 2.3003421970948983
Energy: 2.2108841056711244
Energy: 2.202480724884003
Energy: 2.340710524782102
Energy: 2.181209594905169
Energy: 2.321651715857567
Energy: 2.3003421970948983
Energy: 2.2108841056711244
Energy: 2.202480724884003
Energy: 2.340710524782102
Energy: 2.1985218068579937
Energy: 2.208832771736468
Energy: 2.193479488292853
Energy: 2.270025757734769
Energy: 2.185072732207233
Energy: 2.209561332755759
Energy: 2.1985218068579937
Energy: 2.2088327717342215
Energy: 2.193479488292853
Energy: 2.270025757734769
Energy: 2.2909436618555277
Energy: 2.2814247212783516
Energy: 2.192014718265246
Energy: 2.2698547626074723
Energy: 2.2702273488310274
Energy: 2.1918545420832345
Energy: 2.2909436618555277
Energy: 2.2814247212783516
Energy: 2.192014718265246
Energy: 2.2698547626074723
Energy: 2.2502932369855717
Energy: 2.1616959335515706
Energy: 2.3126570051933713
Energy: 2.1810930582452763
Energy: 2.289307083555793
Energy: 2.3554461078990823
Energy: 2.2502932369855717
Energy: 2.1616959335515706
Energy: 2.3126570051866313
Energy: 2.1810930582452763
Energy: 2.297562153161276
Energy: 2.1651500509439567
Energy: 2.342776564858223
Energy: 2.1814232045742976
Energy: 2.298613659245419
Energy: 2.2023024963638926
Energy: 2.297562153161276
Energy: 2.1651500509439567
Energy: 2.342776564858223
Energy: 2.1814232045742976
Energy: 2.3790365332058325
Energy: 2.2669054910797035
Energy: 2.4645299791763247
Energy: 2.202804854000521
Energy: 2.366335367259498
Energy: 2.181688817949679
Energy: 2.3790365332035863
Energy: 2.2669054910797035
Energy: 2.4645299791763247
Energy: 2.202804853998274
Energy: 2.3197736921671637
Energy: 2.2470654774278525
Energy: 2.2106983646270333
Energy: 2.2031786021896194
Energy: 2.427694620361866
Energy: 2.1797297316715394
Energy: 2.3197736921671637
Energy: 2.2470654774278525
Energy: 2.21069836462928
Energy: 2.2031786021873723
Energy: 2.2100146739540945
Energy: 2.161721067403965
Energy: 2.209361207676351
Energy: 2.192054000241777
Energy: 2.2700733520880636
Energy: 2.2573631465931348
Energy: 2.2100146739540945
Energy: 2.161721067403965
Energy: 2.209361207680844
Energy: 2.1920540002372837
Energy: 2.272803568996119
Energy: 2.3011750666873683
Energy: 2.3038630032929617
Energy: 2.1927424357558993
Energy: 2.2779198173458575
Energy: 2.269718372045951
Energy: 2.272803568996119
Energy: 2.3011750666873683
Energy: 2.3038630032929617
Energy: 2.1927424357558993
Energy: 2.183124888466702
Energy: 2.365583464461417
Energy: 2.161294899481934
Energy: 2.3202570227567554
Energy: 2.180536593668037
Energy: 2.341245914287289
Energy: 2.183124888466702
Energy: 2.365583464461417
Energy: 2.161294899484181
Energy: 2.3202570227567554
Energy: 2.286993369028339
Energy: 2.3630431819889046
Energy: 2.191840868200618
Energy: 2.3103251069490773
Energy: 2.1809195088448936
Energy: 2.307989989067807
Energy: 2.286993369028339
Energy: 2.3630431819911513
Energy: 2.1918408682028647
Energy: 2.3103251069490773
Energy: 2.2948919829463748
Energy: 2.396381382200249
Energy: 2.269229417120559
Energy: 2.463863169664234
Energy: 2.202863483062208
Energy: 2.3061552466197637
Energy: 2.2948919829463748
Energy: 2.396381382200249
Energy: 2.269229417120559
Energy: 2.463863169659741
Energy: 2.2681530965393613
Energy: 2.3211948985041526
Energy: 2.2115421262614943
Energy: 2.3739204164011682
Energy: 2.1824855894551147
Energy: 2.3368603558594354
Energy: 2.2681530965393613
Energy: 2.321194898501906
Energy: 2.2115421262614943
Energy: 2.3739204163989216
Energy: 2.2128150296187408
Energy: 2.191388470089462
Energy: 2.161631678280617
Energy: 2.3631683752614565
Energy: 2.1914806619503
Energy: 2.2699940625058073
Energy: 2.2128150296187408
Energy: 2.191388470089462
Energy: 2.16163167827837
Energy: 2.36316837525921
Energy: 2.2701460953845976
Energy: 2.191586462808259
Energy: 2.283653598463263
Energy: 2.1618530220598453
Energy: 2.191636488179326
Energy: 2.302066034836041
Energy: 2.2701460953845976
Energy: 2.191586462808259
Energy: 2.283653598463263
Energy: 2.1618530220598453
Energy: 2.3205886789535994
Energy: 2.181836073074843
Energy: 2.374991664357688
Energy: 2.161326977551164
Energy: 2.3203427688117477
Energy: 2.1795498946720926
Energy: 2.3205886789535994
Energy: 2.1818360730725965
Energy: 2.374991664357688
Energy: 2.161326977551164
Energy: 2.3142292493579073
Energy: 2.202548318610587
Energy: 2.3807171803600977
Energy: 2.165722659597711
Energy: 2.1524190295254635
Energy: 2.2246582082258914
Energy: 2.3142292493579073
Energy: 2.2025483186083403
Energy: 2.3807171803600977
Energy: 2.165722659597711
Energy: 2.2973307324727714
Energy: 2.210454659511587
Energy: 2.3807112789987404
Energy: 2.164577309571595
Energy: 2.43578692169756
Energy: 2.202115349223903
Energy: 2.2973307324705243
Energy: 2.210454659504847
Energy: 2.3807112789987404
Energy: 2.1645773095738416
Energy: 2.3366907495005402
Energy: 2.1799560441551598
Energy: 2.3203682140340405
Energy: 2.1618807909325968
Energy: 2.374991664357688
Energy: 2.181787035340966
Energy: 2.3366907495027873
Energy: 2.179956044157407
Energy: 2.3203682140340405
Energy: 2.16188079093035
Energy: 2.270261379531588
Energy: 2.3020660348472335
Energy: 2.192722735100431
Energy: 2.1619107068435417
Energy: 2.2836535984610165
Energy: 2.1910404916946957
Energy: 2.270261379531588
Energy: 2.3020660348494797
Energy: 2.192722735100431
Energy: 2.1619107068435417
Energy: 2.2126073244299445
Energy: 2.270243368691067
Energy: 2.1915014049450448
Energy: 2.292451437670474
Energy: 2.161047511879326
Energy: 2.2607707996570268
Energy: 2.2126073244299445
Energy: 2.2702433686933134
Energy: 2.1915014049450448
Energy: 2.292451437670474
Energy: 2.2680458332464197
Energy: 2.359848365708244
Energy: 2.1815815754245618
Energy: 2.294513421180438
Energy: 2.210835970706386
Energy: 2.3212679640687575
Energy: 2.2680458332464197
Energy: 2.3598483657262177
Energy: 2.1815815754245618
Energy: 2.2945134211826845

minimum gb energy = 2.1524190295254635 eV
minimum distance =  2.38893929995089 Angstroms
sigma value = 105


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

Energy: 2.4673425547360797
Energy: 2.310672854403744
Energy: 2.176976288081177
Energy: 2.2709825624375357
Energy: 2.2202146868419996
Energy: 2.4097975251380475
Energy: 2.4673425547360797
Energy: 2.310672854403744
Energy: 2.176976288081177
Energy: 2.248254658016469
Energy: 2.198466749934795
Energy: 2.1784523426862
Energy: 2.2642898846214807
Energy: 2.2616372304158814
Energy: 2.1529332970916735
Energy: 2.285115771783031
Energy: 2.198466749934795
Energy: 2.1784523426862
Energy: 2.264289884618946
Energy: 2.2616372304158814
Energy: 2.188935942582249
Energy: 2.178638760956394
Energy: 2.2063727768605554
Energy: 2.209364918981967
Energy: 2.1547536997093784
Energy: 2.177799513318374
Energy: 2.188935942582249
Energy: 2.178638760956394
Energy: 2.2063727768605554
Energy: 2.209364918981967
Energy: 2.340747231846889
Energy: 2.263920197975921
Energy: 2.214251663008214
Energy: 2.2161831228733098
Energy: 2.424012393796457
Energy: 2.1855987875612244
Energy: 2.340747231846889
Energy: 2.263920197975921
Energy: 2.214251663008214
Energy: 2.216183122870775
Energy: 2.284849650900104
Energy: 2.2910941088812655
Energy: 2.2662431892292236
Energy: 2.1771314008224882
Energy: 2.1791545107758834
Energy: 2.2511098411118753
Energy: 2.284849650900104
Energy: 2.291094108878731
Energy: 2.2662431892292236
Energy: 2.1771314008199534
Energy: 2.3558067160174043
Energy: 2.159436346076563
Energy: 2.4511272514274745
Energy: 2.176811760454738
Energy: 2.4522317546209087
Energy: 2.2430517705918396
Energy: 2.3558067160174043
Energy: 2.159436346076563
Energy: 2.4511272514274745
Energy: 2.176811760409162
Energy: 2.4649770752551112
Energy: 2.263881448571459
Energy: 2.425018283586759
Energy: 2.1518417956707028
Energy: 2.386164516022475
Energy: 2.324102510515191
Energy: 2.429790515947526
Energy: 2.2638814485739935
Energy: 2.425018283586759
Energy: 2.1518417956707028
Energy: 2.4251884000154127
Energy: 2.256591460682894
Energy: 2.3112429247760464
Energy: 2.152852957465808
Energy: 2.2880818518467914
Energy: 2.1860636430545393
Energy: 2.4251884000154127
Energy: 2.2565914606854283
Energy: 2.311242924773511
Energy: 2.152852957465808
Energy: 2.258304740561858
Energy: 2.2187530364249795
Energy: 2.213724922932011
Energy: 2.3326328945175887
Energy: 2.179319940225928
Energy: 2.178081111405124
Energy: 2.258304740561858
Energy: 2.2187530364249795
Energy: 2.2137249229294764
Energy: 2.3326328945198465
Energy: 2.1521997296779354
Energy: 2.3088006099159815
Energy: 2.228659259559463
Energy: 2.3364729670003346
Energy: 2.1806969219602443
Energy: 2.2851880576436123
Energy: 2.1521997296779354
Energy: 2.3088006099159815
Energy: 2.228659259559463
Energy: 2.3364729670003346
Energy: 2.2235321065319593
Energy: 2.425926173584847
Energy: 2.264006136983308
Energy: 2.2062448815021725
Energy: 2.2139793015314
Energy: 2.3475023026022694
Energy: 2.2235321065319593
Energy: 2.425926173584847
Energy: 2.264006136983308
Energy: 2.2062448815021725
Energy: 2.198920639945183
Energy: 2.424094676586458
Energy: 2.2235066229945772
Energy: 2.38699289392579
Energy: 2.3360906557833334
Energy: 2.262118353100688
Energy: 2.198920639945183
Energy: 2.424094676586458
Energy: 2.2235066229945772
Energy: 2.38699289392579
Energy: 2.2084857318243425
Energy: 2.3048117448826315
Energy: 2.2226246328505805
Energy: 2.2851811580180703
Energy: 2.1792029825267645
Energy: 2.333685779780858
Energy: 2.2084857318243425
Energy: 2.3048117448826315
Energy: 2.2226246328505805
Energy: 2.2851811580180703
Energy: 2.2208253300796503
Energy: 2.2174383954029557
Energy: 2.3450203538118104
Energy: 2.17895756483495
Energy: 2.1797979649425216
Energy: 2.331600614656372
Energy: 2.2208253300796503
Energy: 2.2174383954029557
Energy: 2.3450203538118104
Energy: 2.17895756483495
Energy: 2.334795029337981
Energy: 2.2429844747193437
Energy: 2.4241616884914907
Energy: 2.1858139413085578
Energy: 2.2859816352997466
Energy: 2.1520165244857288
Energy: 2.334795029337981
Energy: 2.2429844747193437
Energy: 2.4241616884914907
Energy: 2.1858139413085578
Energy: 2.4127709574018557
Energy: 2.1994164071778135
Energy: 2.31390090275887
Energy: 2.30526547475062
Energy: 2.373206460656725
Energy: 2.2226351859121602
Energy: 2.412770957399321
Energy: 2.1994164071778135
Energy: 2.31390090275887
Energy: 2.30526547475062
Energy: 2.331980318842218
Energy: 2.160155088185524
Energy: 2.3954511061067776
Energy: 2.424926476963447
Energy: 2.409341773726574
Energy: 2.1770593890124634
Energy: 2.331980318842218
Energy: 2.160155088185524
Energy: 2.3954511061067776
Energy: 2.424926476963447
Energy: 2.3039344992747584
Energy: 2.15198174752173
Energy: 2.285483346258563
Energy: 2.1785279002100753
Energy: 2.1794496067728653
Energy: 2.2203016035070315
Energy: 2.3039344992747584
Energy: 2.15198174752173
Energy: 2.2854833462560284
Energy: 2.1785279002100753
Energy: 2.21432865716892
Energy: 2.229036436880561
Energy: 2.324416416905621
Energy: 2.1861715362924365
Energy: 2.3256107784098696
Energy: 2.215601173457422
Energy: 2.214328657166386
Energy: 2.229036436880561
Energy: 2.324416416905621
Energy: 2.1861715362924365
Energy: 2.204405402627731
Energy: 2.334379467962794
Energy: 2.189879644644979
Energy: 2.249562343628946
Energy: 2.152007394727424
Energy: 2.20775651537707
Energy: 2.204405402627731
Energy: 2.334379467962794
Energy: 2.189879644644979
Energy: 2.249562343626412
Energy: 2.1987472243779624
Energy: 2.1791669818166115
Energy: 2.1638739048778777
Energy: 2.286368696660913
Energy: 2.152950527408033
Energy: 2.4474410217450906
Energy: 2.1987472243779624
Energy: 2.179166983372148
Energy: 2.1638739048778777
Energy: 2.286368696660913
Energy: 2.30529526256732
Energy: 2.5344104678309787
Energy: 2.384009621203887
Energy: 2.4099115239861977
Energy: 2.1772389115123842
Energy: 2.3244733792488548
Energy: 2.3052952625698087
Energy: 2.5344104678309787
Energy: 2.384009621203887
Energy: 2.4099115239861977
Energy: 2.1528887677975406
Energy: 2.2850980322361765
Energy: 2.2483350517183602
Energy: 2.1783326475036486
Energy: 2.177864790370483
Energy: 2.3553028926384196
Energy: 2.1528887677975406
Energy: 2.2850980322361765
Energy: 2.2483350517183602
Energy: 2.1783326475036486
Energy: 2.151870155106412
Energy: 2.2527876608196036
Energy: 2.1893324298693253
Energy: 2.336425247144434
Energy: 2.2079995074807215
Energy: 2.2132359970860223
Energy: 2.151870155108946
Energy: 2.2527876608196036
Energy: 2.1893324298693253
Energy: 2.336425247144434
Energy: 2.424085870929512
Energy: 2.185091332989472
Energy: 2.364064194520278
Energy: 2.26347183272583
Energy: 2.2141997096827284
Energy: 2.2169180796902777
Energy: 2.424085870929512
Energy: 2.185091332989472
Energy: 2.364064194520278
Energy: 2.26347183272583
Energy: 2.178046172987061
Energy: 2.2562186773378365
Energy: 2.2852822989782577
Energy: 2.291433516607491
Energy: 2.264889753201078
Energy: 2.1768783555646727
Energy: 2.1780461730048026
Energy: 2.2562186773378365
Energy: 2.2852822989782577
Energy: 2.291433516607491
Energy: 2.4524783614092427
Energy: 2.242575389352822
Energy: 2.355499777046339
Energy: 2.2023926926751565
Energy: 2.476891653473844
Energy: 2.176573471062479
Energy: 2.4524783614092427
Energy: 2.242575389352822
Energy: 2.355499777046339
Energy: 2.202392692677691
Energy: 2.2856758888959985
Energy: 2.1619079028210706
Energy: 2.444884730478027
Energy: 2.2639538489337023
Energy: 2.2611076430414667
Energy: 2.153346507243054
Energy: 2.2856758888959985
Energy: 2.1619079028210706
Energy: 2.444884730480562
Energy: 2.2639538489337023
Energy: 2.289625144006978
Energy: 2.1823612544403646
Energy: 2.4248509724264227
Energy: 2.256734196105837
Energy: 2.124347576898315
Energy: 2.153065163339592
Energy: 2.289625144006978
Energy: 2.18236125443783
Energy: 2.4248509724264227
Energy: 2.256734196105837
Energy: 2.179271279986541
Energy: 2.178467175743313
Energy: 2.230555551107776
Energy: 2.2211082276297724
Energy: 2.2138805969129676
Energy: 2.310919637986711
Energy: 2.179271279984007
Energy: 2.178467175743313
Energy: 2.230555551107776
Energy: 2.2211082276297724
Energy: 2.1791090308538448
Energy: 2.2851153978766323
Energy: 2.1519954364640257
Energy: 2.285578461011768
Energy: 2.209895595012679
Energy: 2.311069460408904
Energy: 2.1791090308563796
Energy: 2.2851153978766323
Energy: 2.1519954364665606
Energy: 2.2855784610143024
Energy: 2.2551331760778432
Energy: 2.3093956731016054
Energy: 2.222308158060165
Energy: 2.4444178463344697
Energy: 2.264530109557291
Energy: 2.263804111347981
Energy: 2.2551331760778432
Energy: 2.3093956731016054
Energy: 2.222308158060165
Energy: 2.4444178463319353
Energy: 2.3308508206102
Energy: 2.267038274786901
Energy: 2.198857114420673
Energy: 2.4238457287183683
Energy: 2.1515616740744474
Energy: 2.2120878292334765
Energy: 2.3308508206025964
Energy: 2.2627626065344337
Energy: 2.198857114420673
Energy: 2.4238457287183683
Energy: 2.1794552550249526
Energy: 2.4236043310827857
Energy: 2.208430298905413
Energy: 2.3057360505316598
Energy: 2.248399349019037
Energy: 2.285427381163699
Energy: 2.1794552550249526
Energy: 2.4236043310827857
Energy: 2.208430298905413
Energy: 2.3057360505316598
Energy: 2.179970775704943
Energy: 2.325521699898572
Energy: 2.2187254857644345
Energy: 2.2169290695713677
Energy: 2.334968825177202
Energy: 2.179339816446641
Energy: 2.179970775704943
Energy: 2.325521699898572
Energy: 2.2187254857644345
Energy: 2.2169290695713677
Energy: 2.2864722181392647
Energy: 2.153248807063943
Energy: 2.3184755082833206
Energy: 2.227501347065247
Energy: 2.4238026329145548
Energy: 2.1851934890968567
Energy: 2.28647221813673
Energy: 2.1532488070614084
Energy: 2.3184755082833206
Energy: 2.227501347065247
Energy: 2.265995562319708
Energy: 2.223755941668501
Energy: 2.2620658931034736
Energy: 2.1989415486976354
Energy: 2.289064424265718
Energy: 2.2146531451241334
Energy: 2.265995562319708
Energy: 2.2237559416710355
Energy: 2.2620658931034736
Energy: 2.1989415486951005
Energy: 2.4089570405830836
Energy: 2.198719866565987
Energy: 2.3317380270188677
Energy: 2.1437706200227624
Energy: 2.387103372397335
Energy: 2.3811553556526572
Energy: 2.4089570405830836
Energy: 2.1987198665685215
Energy: 2.3317380270188677
Energy: 2.1437706200227624
Energy: 2.348252239514319
Energy: 2.3058375953877217
Energy: 2.2868466978189783
Energy: 2.1520759764982142
Energy: 2.2868141707461174
Energy: 2.178925763072814
Energy: 2.348252239516623
Energy: 2.3058375953877217
Energy: 2.2868466978215127
Energy: 2.1520759764982142
Energy: 2.3367622390480656
Energy: 2.2144712459863394
Energy: 2.2145513428091483
Energy: 2.232965789106295
Energy: 2.3099184492464584
Energy: 2.1861365118588174
Energy: 2.3367622390480656
Energy: 2.2144712459863394
Energy: 2.2145513428091483
Energy: 2.232965789106295
Energy: 2.1522207417747694
Energy: 2.208463002730741
Energy: 2.2049124877848536
Energy: 2.3650707802554716
Energy: 2.190238535786041
Energy: 2.3332869842019006
Energy: 2.152220741772234
Energy: 2.208463002730741
Energy: 2.2049124877848536
Energy: 2.3341204668670374
Energy: 2.153289236037095
Energy: 2.448106298334194
Energy: 2.199275289429347
Energy: 2.295968208808434
Energy: 2.1636716061962384
Energy: 2.324980722774581
Energy: 2.153289236037095
Energy: 2.448106298334194
Energy: 2.199275289431881
Energy: 2.2959682088058995
Energy: 2.177184815549283
Energy: 2.350177301937012
Energy: 2.306571961898843
Energy: 2.5061533927637676
Energy: 2.3821979403860616
Energy: 2.410168919973427
Energy: 2.1771848155467484
Energy: 2.350177301937012
Energy: 2.306571961898843
Energy: 2.5061533927637676
Energy: 2.176402702182473
Energy: 2.3033665391185125
Energy: 2.152641834622953
Energy: 2.2871939580382445
Energy: 2.25134893393029
Energy: 2.178826048268586
Energy: 2.1764027021951464
Energy: 2.3033665391185125
Energy: 2.152641834622953
Energy: 2.2871939580382445
Energy: 2.21008695757188
Energy: 2.21430825228367
Energy: 2.1517590600979464
Energy: 2.2739404568878285
Energy: 2.1904417856402887
Energy: 2.424205808370418
Energy: 2.21008695757188
Energy: 2.21430825228367
Energy: 2.1517590600979464
Energy: 2.2530956821474484
Energy: 2.214327099544779
Energy: 2.21846094255785
Energy: 2.424023586784038
Energy: 2.1911000395720155
Energy: 2.323018326698643
Energy: 2.263822386259261
Energy: 2.214327099544779
Energy: 2.218460942555315
Energy: 2.424023586784038
Energy: 2.191100039569481
Energy: 2.2977150011276133
Energy: 2.1768395804739313
Energy: 2.1825799639532484
Energy: 2.2579310385279197
Energy: 2.2861487731596113
Energy: 2.2921621971333312
Energy: 2.2977150011301486
Energy: 2.1768395804536547
Energy: 2.182579963958317
Energy: 2.2579310385253852
Energy: 2.495121972411594
Energy: 2.1769173160758424
Energy: 2.432726900208876
Energy: 2.2787955588909736
Energy: 2.333887876828225
Energy: 2.2569843457562135
Energy: 2.495121972411594
Energy: 2.1769173160758424
Energy: 2.432726900208876
Energy: 2.2787955588909736
Energy: 2.2613563385883513
Energy: 2.153313591336729
Energy: 2.2859769531042433
Energy: 2.18243871972685
Energy: 2.4212621430211985
Energy: 2.264360653443753
Energy: 2.261356338585817
Energy: 2.153313591336729
Energy: 2.2859769531042433
Energy: 2.18243871972685
Energy: 2.1226846268935162
Energy: 2.1537203881425553
Energy: 2.2517523806635653
Energy: 2.1912996998077183
Energy: 2.424530861192204
Energy: 2.2702339076234885
Energy: 2.1226846268935162
Energy: 2.1537203881425553
Energy: 2.2517523806635653
Energy: 2.1912996998077183
Energy: 2.2136329133008723
Energy: 2.3351037924027462
Energy: 2.179155613557584
Energy: 2.178774465393909
Energy: 2.2343255477015167
Energy: 2.21533347206828
Energy: 2.2136329133008723
Energy: 2.3351037924027462
Energy: 2.179155613557584
Energy: 2.178774465396444
Energy: 2.2892894817884075
Energy: 2.3641437375368346
Energy: 2.178317160110291
Energy: 2.285759090625573
Energy: 2.1523424075358992
Energy: 2.28650424204419
Energy: 2.2892894817884075
Energy: 2.3641437375368346
Energy: 2.178317160112826
Energy: 2.285759090625573

minimum gb energy = 2.1226846268935162 eV
minimum distance =  2.41105653755301 Angstroms
sigma value = 165


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

Energy: 2.309180483060606
Energy: 2.325193444935066
Energy: 2.0846465822718527
Energy: 2.1673954663871715
Energy: 2.0844403568882646
Energy: 2.325536227843164
Energy: 2.309180483060606
Energy: 2.325193444935066
Energy: 2.0846465822718527
Energy: 2.167395466293237
Energy: 2.2093986655605713
Energy: 2.141812669855891
Energy: 2.0847301378587257
Energy: 2.346339989783037
Energy: 2.0923301772668306
Energy: 2.1285808613931207
Energy: 2.2093986655605713
Energy: 2.141812669855891
Energy: 2.0847301378578558
Energy: 2.346339989783037
Energy: 2.134648361003333
Energy: 2.3600899566330544
Energy: 2.233087921138863
Energy: 2.1206055187899038
Energy: 2.118854733588836
Energy: 2.23472686670441
Energy: 2.134648361003333
Energy: 2.3600899566330544
Energy: 2.2330879211397328
Energy: 2.1206055187899038
Energy: 2.120591869081447
Energy: 2.253413464167354
Energy: 2.373178671333205
Energy: 2.129644444353826
Energy: 2.1333944049858657
Energy: 2.093876783201549
Energy: 2.120591869080576
Energy: 2.253413464167354
Energy: 2.373178671333205
Energy: 2.129644444353826
Energy: 2.3604054832607857
Energy: 2.2780899366792307
Energy: 2.219485587014783
Energy: 2.0865696051029192
Energy: 2.1195962074343506
Energy: 2.1187701459928414
Energy: 2.3604054832607857
Energy: 2.2780899366792307
Energy: 2.219485587014783
Energy: 2.0865696051029192
Energy: 2.1421043611066337
Energy: 2.171825119261534
Energy: 2.1077040068184103
Energy: 2.1268288643578086
Energy: 2.2220895102011604
Energy: 2.084297510249359
Energy: 2.1421043611066337
Energy: 2.171825119261534
Energy: 2.1077040068184103
Energy: 2.1268288643578086
Energy: 2.2553737164339753
Energy: 2.096177188613442
Energy: 2.134831701857479
Energy: 2.118250368046822
Energy: 2.2213936215339833
Energy: 2.0843220136707385
Energy: 2.2553737164339753
Energy: 2.096177188613442
Energy: 2.134831701857479
Energy: 2.118250368046822
Energy: 2.131720346902381
Energy: 2.120068495181077
Energy: 2.1201406172980777
Energy: 2.132085260061629
Energy: 2.37846592282103
Energy: 2.378478466334956
Energy: 2.1317203469032515
Energy: 2.120068495181077
Energy: 2.1201406172980777
Energy: 2.1320852600607583
Energy: 2.1183409116473846
Energy: 2.134767841804315
Energy: 2.0962068907378018
Energy: 2.2553978400039236
Energy: 2.0842725851594284
Energy: 2.233899989377398
Energy: 2.1183409116473846
Energy: 2.134767841803445
Energy: 2.0962068907378018
Energy: 2.2553978400039236
Energy: 2.1269062925411832
Energy: 2.1073508028212355
Energy: 2.1726790998110737
Energy: 2.143190658981729
Energy: 2.0863096152321723
Energy: 2.2223880412061083
Energy: 2.1269062925411832
Energy: 2.1073508028212355
Energy: 2.1726790998110737
Energy: 2.143190658981729
Energy: 2.086317473938926
Energy: 2.2195671785235564
Energy: 2.2780857633465805
Energy: 2.3604060015210324
Energy: 2.119028553362499
Energy: 2.119272801575704
Energy: 2.086317473938926
Energy: 2.2195671785235564
Energy: 2.2780857633465805
Energy: 2.3604060015201624
Energy: 2.1296081571892524
Energy: 2.3727260135565107
Energy: 2.253634800952603
Energy: 2.120869764005465
Energy: 2.0938310486678815
Energy: 2.133402399933158
Energy: 2.1296081571892524
Energy: 2.3727260135565107
Energy: 2.253634800952603
Energy: 2.120869764005465
Energy: 2.1205833839926176
Energy: 2.2330879211397328
Energy: 2.3602891283436414
Energy: 2.134646165304572
Energy: 2.2347268667052798
Energy: 2.118272911752721
Energy: 2.120583383991747
Energy: 2.2330879211397328
Energy: 2.3602891283436414
Energy: 2.134646165304572
Energy: 2.3463699446914847
Energy: 2.0842853158519996
Energy: 2.14323330250289
Energy: 2.2108747641120075
Energy: 2.128468671505162
Energy: 2.0923454993066715
Energy: 2.3463699446906148
Energy: 2.0842853158519996
Energy: 2.14323330250289
Energy: 2.2108747641111375
Energy: 2.167395467122982
Energy: 2.0844403568882646
Energy: 2.325536227843164
Energy: 2.309180483060606
Energy: 2.325193444935066
Energy: 2.084646582270982
Energy: 2.167395467025568
Energy: 2.0844403568882646
Energy: 2.325536227844034
Energy: 2.309180483060606

minimum gb energy = 2.0842725851594284 eV
minimum distance =  2.3982532126369 Angstroms
sigma value = 41


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

Energy: 2.5839925178234675
Energy: 2.0807437821357775
Energy: 1.9704784570118894
Energy: 2.6457031760443677
Energy: 1.9706177858977505
Energy: 2.0806968416881966
Energy: 2.5839925178234675
Energy: 2.0807437821357775
Energy: 1.9704784570118894
Energy: 2.2455461506775194
Energy: 2.081581428873322
Energy: 2.194298674546916
Energy: 1.9677804695154602
Energy: 2.085874999814989
Energy: 1.998517996419591
Energy: 1.99867784572061
Energy: 2.081581428873322
Energy: 2.194298674546916
Energy: 1.9677804695154602
Energy: 2.085874999814989
Energy: 2.104692185663225
Energy: 2.107563417638623
Energy: 2.229637834078725
Energy: 2.0008025365854003
Energy: 1.9996940976262554
Energy: 2.2266199543772065
Energy: 2.104692185663225
Energy: 2.107563417638623
Energy: 2.229637834078725
Energy: 2.0008025365854003
Energy: 2.190774900049338
Energy: 2.1082959804267185
Energy: 1.9986846648885617
Energy: 1.9995834915808814
Energy: 2.087899627486929
Energy: 1.9689203907972856
Energy: 2.190774900049338
Energy: 2.1082959804267185
Energy: 1.9986846648885617
Energy: 1.9995834915808814
Energy: 2.0794200279259725
Energy: 2.080112194758378
Energy: 2.0821720573775027
Energy: 1.9703195664262927
Energy: 2.192218383731669
Energy: 1.970292557961475
Energy: 2.0794200279293484
Energy: 2.080112194758378
Energy: 2.0821720573775027
Energy: 1.9703195664262927
Energy: 2.2270500175977044
Energy: 2.0851674721390343
Energy: 2.1912564961863965
Energy: 1.9686258248945447
Energy: 2.105568299681683
Energy: 1.9997157448856557
Energy: 2.2270500175977044
Energy: 2.0851674721424107
Energy: 2.1912564961863965
Energy: 1.9686258248945447
Energy: 2.2242283019612046
Energy: 2.107954210097598
Energy: 2.1051259133285694
Energy: 2.109702210083676
Energy: 2.00094301332866
Energy: 1.9988369660740606
Energy: 2.2242283019612046
Energy: 2.107954210097598
Energy: 2.1051259133285694
Energy: 2.109702210083676
Energy: 1.9702800616213372
Energy: 2.2958984737790917
Energy: 2.0346706769055123
Energy: 1.9992475251101998
Energy: 2.081130937556449
Energy: 2.092718291488918
Energy: 1.9702800616213372
Energy: 2.2958984737790917
Energy: 2.0346706769055123
Energy: 1.9992475251101998
Energy: 1.968342787333197
Energy: 2.0807258986536605
Energy: 2.080149480409708
Energy: 2.1611026850260306
Energy: 2.0825498736493815
Energy: 2.30010773744498
Energy: 1.968342787333197
Energy: 2.0807258986536605
Energy: 2.080149480409708
Energy: 2.1611026850260306
Energy: 2.001649347126149
Energy: 2.002132414150135
Energy: 2.0835721037919157
Energy: 2.0362061760434456
Energy: 2.0455306701601033
Energy: 2.1053772312370334
Energy: 2.001649347126149
Energy: 2.002132414150135
Energy: 2.0835721037919157
Energy: 2.0362061760434456
Energy: 1.9983437521167968
Energy: 2.2236582336207236
Energy: 2.1060949687953183
Energy: 2.1057720681525933
Energy: 2.111321379924706
Energy: 2.0006002686196225
Energy: 1.9983437521167968
Energy: 2.2236582336207236
Energy: 2.1060949687953183
Energy: 2.1057720681525933
Energy: 2.07003247317832
Energy: 1.9702110152829926
Energy: 2.110747372240684
Energy: 2.1103220274262475
Energy: 2.000706103521856
Energy: 2.081086673638529
Energy: 2.07003247317832
Energy: 1.9702110152829926
Energy: 2.110747372240684
Energy: 2.1103220274262475
Energy: 2.106533281927467
Energy: 1.968218036513635
Energy: 2.0867879713759634
Energy: 2.0811927344428263
Energy: 2.0993056243806203
Energy: 2.0814234304170762
Energy: 2.106533281927467
Energy: 1.968218036513635
Energy: 2.0867879713759634
Energy: 2.0811927344428263
Energy: 2.1115642267520247
Energy: 2.0006003883105743
Energy: 2.119041552038747
Energy: 2.0813119237959135
Energy: 2.0408666521232366
Energy: 2.0454571228091423
Energy: 2.1115642267520247
Energy: 2.0006003883105743
Energy: 2.119041552038747
Energy: 2.0813119237959135
Energy: 2.071103772670508
Energy: 1.9992560387441323
Energy: 2.0455634752706433
Energy: 2.1067179706446257
Energy: 2.107934172188598
Energy: 2.114947638015186
Energy: 2.071103772670508
Energy: 1.9992560387441323
Energy: 2.0455634752706433
Energy: 2.1067179706446257
Energy: 2.090372508071735
Energy: 2.070744298289353
Energy: 2.114453350173391
Energy: 2.109338279172918
Energy: 2.1073499251903347
Energy: 2.054811360962231
Energy: 2.090372508071735
Energy: 2.070744298289353
Energy: 2.114453350173391
Energy: 2.109338279172918
Energy: 2.081271007117686
Energy: 2.1167322820546115
Energy: 2.0484065777155642
Energy: 2.088076913112019
Energy: 2.1151104536242835
Energy: 2.119930862536583
Energy: 2.081271007117686
Energy: 2.1167322820546115
Energy: 2.0484065777155642
Energy: 2.088076913112019
Energy: 1.968865165694005
Energy: 2.1060155321463627
Energy: 2.0813565216937024
Energy: 2.1245990605568608
Energy: 2.079625129127494
Energy: 2.088893294268982
Energy: 1.968865165694005
Energy: 2.1060155321463627
Energy: 2.0813565216937024
Energy: 2.1245990605568608
Energy: 1.970476575644628
Energy: 2.0701727566525085
Energy: 2.084603035649429
Energy: 2.054719358832523
Energy: 2.108796683303604
Energy: 2.1102385539775232
Energy: 1.970476575644628
Energy: 2.0701727566525085
Energy: 2.084603035649429
Energy: 2.054719358832523
Energy: 2.0432823816567063
Energy: 1.9982874028723006
Energy: 2.0706805981263776
Energy: 2.10988479977686
Energy: 2.1067959374931804
Energy: 2.106160394075113
Energy: 2.0432823816567063
Energy: 1.9982874028723006
Energy: 2.0706805981263776
Energy: 2.10988479977686
Energy: 1.9997810446905144
Energy: 2.0008419000316064
Energy: 2.1079576812092293
Energy: 2.0448323185733095
Energy: 2.0457340585409507
Energy: 2.083612939916919
Energy: 1.999781044859254
Energy: 2.0008419000316064
Energy: 2.1079576812092293
Energy: 2.0448323185733095
Energy: 2.082082981613671
Energy: 1.96787692669675
Energy: 2.301533282944131
Energy: 2.081603511587882
Energy: 2.16538413174702
Energy: 2.080818599910232
Energy: 2.082082981613671
Energy: 1.96787692669675
Energy: 2.301533282944131
Energy: 2.081603511587882
Energy: 2.1101345760852923
Energy: 1.9702547615727741
Energy: 2.0699567483592514
Energy: 2.079955985877577
Energy: 1.9988184699979759
Energy: 2.1114076125890424
Energy: 2.1090184160045604
Energy: 1.9702547615727741
Energy: 2.0699567483592514
Energy: 2.079955985877577
Energy: 2.1128230805216
Energy: 2.225079010588608
Energy: 1.998892003840738
Energy: 2.00090992864425
Energy: 2.1109990361761355
Energy: 2.1054708670507685
Energy: 2.1128230805216
Energy: 2.225079010588608
Energy: 1.998892003840738
Energy: 2.00090992864425
Energy: 2.084481772856042
Energy: 2.227001769458483
Energy: 1.9991073912724582
Energy: 2.104612430135344
Energy: 2.0487284618372756
Energy: 2.315467536000714
Energy: 2.084481772859418
Energy: 2.227001769458483
Energy: 1.9991073912724582
Energy: 2.104612430135344
Energy: 2.080010098516871
Energy: 2.080059522103628
Energy: 1.9692643440038824
Energy: 2.2985627447184647
Energy: 2.1146879558122698
Energy: 2.1616561651915616
Energy: 2.080010098516871
Energy: 2.080059522103628
Energy: 1.9692643440038824
Energy: 2.29856274472184
Energy: 2.034343207678731
Energy: 2.1929018743321658
Energy: 1.9699584479203653
Energy: 2.08992673055689
Energy: 2.0843626445837784
Energy: 1.9988685714925643
Energy: 2.034343207678731
Energy: 2.1929018743321658
Energy: 1.9699584479203653
Energy: 2.08992673055689
Energy: 2.111953212592784
Energy: 2.105766524803938
Energy: 2.2247995860848233
Energy: 2.00022186692541
Energy: 2.001633536549202
Energy: 2.2306649283696816
Energy: 2.111953212592784
Energy: 2.105766524803938
Energy: 2.2247995860848233
Energy: 2.00022186692541
Energy: 2.1914591178089093
Energy: 2.0817242446062667
Energy: 2.2253075804380233
Energy: 1.9985286334010592
Energy: 2.108472007037672
Energy: 1.968670754791399
Energy: 2.1914591178089093
Energy: 2.0817242446062667
Energy: 2.2253075804380233
Energy: 1.9985286334010592
Energy: 2.083718388432932
Energy: 2.58402259428287
Energy: 2.0797046250870714
Energy: 1.970393690203104
Energy: 2.1914322072760934
Energy: 1.9703613899973365
Energy: 2.083718388432932
Energy: 2.58402259428287
Energy: 2.0797046250870714
Energy: 1.970393690203104
Energy: 1.998885861598625
Energy: 2.0820559855670884
Energy: 2.1923955508941266
Energy: 1.968441361258094
Energy: 2.086261621266043
Energy: 1.9995366108825599
Energy: 1.998885861598625
Energy: 2.0820559855670884
Energy: 2.1923955508941266
Energy: 1.968441361258094
Energy: 2.2281863838873903
Energy: 2.105205921716169
Energy: 2.1052081740346025
Energy: 2.2281863838840144
Energy: 2.0008947157695154
Energy: 2.000896030760299
Energy: 2.2281863838873903
Energy: 2.105205921716169
Energy: 2.1052081740346025
Energy: 2.2281863838840144
Energy: 1.9702417126073082
Energy: 2.1924080032709754
Energy: 2.081729666877039
Energy: 1.9987170520692383
Energy: 1.999499030996526
Energy: 2.086295538775873
Energy: 1.9702417126073082
Energy: 2.1924080032709754
Energy: 2.081729666877039
Energy: 1.9987170520692383
Energy: 1.9701594376472826
Energy: 2.0794671347611446
Energy: 2.584003356088436
Energy: 2.082517185171057
Energy: 1.9701540256316972
Energy: 2.191388831718166
Energy: 1.9701594376472826
Energy: 2.0794671347611446
Energy: 2.584003356088436
Energy: 2.082517185171057
Energy: 1.9992941632073047
Energy: 2.2253075804346474
Energy: 2.0818626258755297
Energy: 2.191414389337348
Energy: 1.968433690964599
Energy: 2.1084608302574255
Energy: 1.9992941632073047
Energy: 2.2253075804346474
Energy: 2.0818626258755297
Energy: 2.191414389337348
Energy: 1.999637939828515
Energy: 2.2247995860848233
Energy: 2.105769923245232
Energy: 2.111992282647862
Energy: 2.2306649283696816
Energy: 2.0010525556907353
Energy: 1.999637939828515
Energy: 2.2247995860848233
Energy: 2.105769923245232
Energy: 2.111992282647862
Energy: 2.0896614883655213
Energy: 1.9699862500391765
Energy: 2.191810238400501
Energy: 2.034478083389219
Energy: 1.9986310472526596
Energy: 2.0843131733959765
Energy: 2.0896614883655213
Energy: 1.9699862500391765
Energy: 2.191810238400501
Energy: 2.034478083389219
Energy: 2.2985579901104636
Energy: 1.9697621837095955
Energy: 2.080087129168251
Energy: 2.0796538080316993
Energy: 2.161661312367892
Energy: 2.1141180122447567
Energy: 2.2985579901104636
Energy: 1.9697621837095955
Energy: 2.080087129168251
Energy: 2.0796538080316993
Energy: 2.1046124519786336
Energy: 2.0016133529316638
Energy: 2.227001769458483
Energy: 2.0854692498388254
Energy: 2.1905856250926963
Energy: 2.048605689915415
Energy: 2.1046124519786336
Energy: 2.0016133529316638
Energy: 2.227001769458483
Energy: 2.0854692498388254

minimum gb energy = 1.9677804695154602 eV
minimum distance =  2.49433384925364 Angstroms
sigma value = 185


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

Energy: 2.422839966786533
Energy: 2.101941122600235
Energy: 2.213206953334389
Energy: 2.5804131914403596
Energy: 2.2129124054278497
Energy: 2.1023591123813725
Energy: 2.422839966786533
Energy: 2.101941122600235
Energy: 2.213206953334389
Energy: 2.5427339747352398
Energy: 2.2269693086367637
Energy: 2.2144654733744105
Energy: 2.0171049490695716
Energy: 2.0530520847748357
Energy: 2.0226885394156087
Energy: 2.2158266265344055
Energy: 2.2269693086367637
Energy: 2.2144654733744105
Energy: 2.0171049490695716
Energy: 2.0530520847748357
Energy: 1.9928183993047828
Energy: 2.022520933924123
Energy: 2.4787545696395084
Energy: 2.4117182898278564
Energy: 2.0199595440808236
Energy: 1.9994837234645275
Energy: 1.9928183993047828
Energy: 2.022520933924123
Energy: 2.4787545696395084
Energy: 2.4117182898278564
Energy: 2.2011658617872825
Energy: 2.0211371303787193
Energy: 2.0516267309315337
Energy: 2.026479696847304
Energy: 2.1029228730575182
Energy: 1.9187297444778075
Energy: 2.2011658617872825
Energy: 2.0211371303787193
Energy: 2.0516267309315337
Energy: 2.026479696847304
Energy: 2.1228117850048696
Energy: 2.01604031161639
Energy: 2.052493390570082
Energy: 1.9195508852642955
Energy: 2.2808820623446904
Energy: 1.9203588706870627
Energy: 2.1228117850048696
Energy: 2.01604031161639
Energy: 2.052493390570082
Energy: 1.9195508852642955
Energy: 2.021378989594032
Energy: 2.2131852658702154
Energy: 2.1028335833609306
Energy: 2.0344635243827933
Energy: 2.035494297659999
Energy: 2.007822897545939
Energy: 1.959077653785952
Energy: 2.2131852658702154
Energy: 2.1028335835091356
Energy: 2.0344635243827933
Energy: 2.034365121948274
Energy: 2.1999756369299437
Energy: 2.2133890608088387
Energy: 2.0213176933467865
Energy: 2.0158677613691616
Energy: 2.020954066804182
Energy: 2.034365121948274
Energy: 2.1131874390646423
Energy: 2.2133890608088387
Energy: 2.021317693342779
Energy: 1.9187477389497372
Energy: 1.9852622570662537
Energy: 2.01692984722773
Energy: 1.9242084200013483
Energy: 1.9813880369503993
Energy: 2.4445973858533088
Energy: 1.9187477389497372
Energy: 1.9852622570662537
Energy: 2.01692984722773
Energy: 1.9242084200013483
Energy: 2.0260046295186385
Energy: 2.0511372949630555
Energy: 2.0202066193123907
Energy: 2.45255838939969
Energy: 1.9826927183057617
Energy: 2.124003233882073
Energy: 2.0260046295186385
Energy: 2.0511372949630555
Energy: 2.0202066193123907
Energy: 2.45255838939969
Energy: 2.4115507296252154
Energy: 2.4862884294181287
Energy: 2.0223992977372363
Energy: 2.07168915991008
Energy: 2.020620774086062
Energy: 2.020089514589119
Energy: 2.4115507296252154
Energy: 2.4862884294181287
Energy: 2.0223992977372363
Energy: 2.07168915991008
Energy: 2.052121609535765
Energy: 2.0163058844314103
Energy: 2.091412742419772
Energy: 1.9194302594191204
Energy: 2.2480043735117543
Energy: 2.0225088511951923
Energy: 2.052121609535765
Energy: 2.0163058844314103
Energy: 2.091412742451795
Energy: 1.9194302594191204
Energy: 2.6999386161818544
Energy: 2.2129104273734854
Energy: 1.9465303824246034
Energy: 2.2150799471012155
Energy: 1.9465754062443188
Energy: 2.213206953330382
Energy: 2.5397423538262305
Energy: 2.2129104273734854
Energy: 1.9465303824246034
Energy: 2.2150799471012155
Energy: 2.0530520847748357
Energy: 2.0226885394156087
Energy: 2.2480043735117543
Energy: 1.9195641537419077
Energy: 2.2144654733744105
Energy: 2.0171049490695716
Energy: 2.0530520847748357
Energy: 2.0226885394156087
Energy: 2.2480043735117543
Energy: 1.9195641537419077
Energy: 2.411398249821181
Energy: 2.0199595440808236
Energy: 2.031123108081184
Energy: 1.9928183993047828
Energy: 2.022398006421535
Energy: 2.4862884294181287
Energy: 2.411398249821181
Energy: 2.0199595440808236
Energy: 2.0311231079489724
Energy: 1.9928183993047828
Energy: 2.02637060570288
Energy: 1.9254439673261703
Energy: 1.9818448108713729
Energy: 2.3646183049655165
Energy: 2.019995208844844
Energy: 2.0519696235463374
Energy: 2.02637060570288
Energy: 1.9254439673261703
Energy: 1.9818448108713729
Energy: 2.3646183049655165
Energy: 1.9195508852642955
Energy: 2.436581854636322
Energy: 1.981074915098378
Energy: 2.1228117850048696
Energy: 2.01604031161639
Energy: 2.052493390570082
Energy: 1.9195508852642955
Energy: 2.436581854636322
Energy: 1.981074915098378
Energy: 2.1228117850048696
Energy: 2.0344635243827933
Energy: 1.996988564685589
Energy: 1.9912588623823735
Energy: 2.01241602698164
Energy: 2.2131852658702154
Energy: 2.1777773711649893
Energy: 2.0344635243827933
Energy: 1.9969885650621129
Energy: 1.9912588623823735
Energy: 1.959077653785952
Energy: 2.021317693342779
Energy: 1.9474638444934695
Energy: 2.020954066804182
Energy: 2.0343586389759016
Energy: 2.038409483814576
Energy: 2.2132559719341476
Energy: 2.0213176933467865
Energy: 1.9474638444934695
Energy: 2.020954066804182
Energy: 2.0343586389759016
Energy: 2.1030479780077775
Energy: 1.9195394212607013
Energy: 2.433334595533159
Energy: 1.9187477389497372
Energy: 2.03591703057638
Energy: 2.0172943918075203
Energy: 2.1030479780077775
Energy: 1.9195394212607013
Energy: 2.433334595533159
Energy: 1.9187477389497372
Energy: 2.4720886561307935
Energy: 1.9188725294460585
Energy: 2.124003233882073
Energy: 2.0260046295186385
Energy: 2.0511372949630555
Energy: 2.0202066193123907
Energy: 2.4720886561307935
Energy: 1.9188725294460585
Energy: 2.124003233882073
Energy: 2.0260046295186385
Energy: 1.9991134496184306
Energy: 2.020620774054038
Energy: 2.020108039467984
Energy: 2.4115507296252154
Energy: 2.4787545696395084
Energy: 2.0223992977372363
Energy: 1.9991134496184306
Energy: 2.0206207740820545
Energy: 2.020108039467984
Energy: 2.4115507296252154
Energy: 2.226360288685863
Energy: 2.2158266265344055
Energy: 2.0226094806719703
Energy: 2.0522313709552686
Energy: 2.017315760739932
Energy: 2.1176184268279856
Energy: 2.226360288685863
Energy: 2.2158266265344055
Energy: 2.0226094806719703
Energy: 2.0522313709552686
Energy: 2.422839966786533
Energy: 2.101941122600235
Energy: 2.213206953334389
Energy: 2.5427339747352398
Energy: 2.2129124054278497
Energy: 2.0127950599898985
Energy: 2.422839966786533
Energy: 2.101941122600235
Energy: 2.213206953330382
Energy: 2.5427339747352398
Energy: 2.2269693086367637
Energy: 2.2144654733744105
Energy: 2.0171049490695716
Energy: 2.0530520847748357
Energy: 2.0226885394156087
Energy: 2.2158266265344055
Energy: 2.2269693086367637
Energy: 2.2144654733744105
Energy: 2.0171049490695716
Energy: 2.0530520847748357
Energy: 1.9928183993047828
Energy: 2.022520933924123
Energy: 2.4787545696395084
Energy: 2.4117182898278564
Energy: 2.0199595440808236
Energy: 1.9994837234645275
Energy: 1.9928183993047828
Energy: 2.022520933924123
Energy: 2.4787545696395084
Energy: 2.4117182898278564
Energy: 2.20116586179129
Energy: 2.0211371303787193
Energy: 2.0516267309315337
Energy: 2.026479696847304
Energy: 2.1029228730575182
Energy: 1.9187297444778075
Energy: 2.20116586179129
Energy: 2.0211371303787193
Energy: 2.0516267309315337
Energy: 2.026479696847304
Energy: 2.1228117850048696
Energy: 2.01604031161639
Energy: 2.052493390570082
Energy: 1.9195508852642955
Energy: 2.2808820623446904
Energy: 1.9203588706870627
Energy: 2.1228117850048696
Energy: 2.01604031161639
Energy: 2.052493390570082
Energy: 1.9195508852642955
Energy: 2.0202903224671145
Energy: 2.2131852658702154
Energy: 2.0893453455751745
Energy: 2.0344635243827933
Energy: 2.0354942975638552
Energy: 2.0078228976060517
Energy: 1.959077653785952
Energy: 2.2131852658702154
Energy: 2.1028335833008547
Energy: 2.0344635243827933
Energy: 2.034365121948274
Energy: 2.1777773710568593
Energy: 2.2133890608088387
Energy: 2.0213176933467865
Energy: 2.015867761365154
Energy: 2.020954066804182
Energy: 2.034365121948274
Energy: 2.177648420713742
Energy: 2.2133890608088387
Energy: 2.021317693342779
Energy: 1.9187477389497372
Energy: 1.9852622570622462
Energy: 2.01692984722773
Energy: 1.9242084200013483
Energy: 1.9813880369503993
Energy: 2.4445973858533088
Energy: 1.9187477389497372
Energy: 1.9852622570622462
Energy: 2.01692984722773
Energy: 1.9242084200013483
Energy: 2.0260046295186385
Energy: 2.0511372949630555
Energy: 2.0202066193123907
Energy: 2.45255838939969
Energy: 1.9826927183057617
Energy: 2.124003233882073
Energy: 2.0260046295186385
Energy: 2.0511372949630555
Energy: 2.0202066193123907
Energy: 2.45255838939969
Energy: 2.4115507296252154
Energy: 2.4862884294181287
Energy: 2.0223992977372363
Energy: 2.07168915991008
Energy: 2.0206207741301445
Energy: 2.020089514589119
Energy: 2.4115507296252154
Energy: 2.4862884294181287
Energy: 2.0223992977372363
Energy: 2.07168915991008
Energy: 2.052121609535765
Energy: 2.0163058844314103
Energy: 2.0914127424317943
Energy: 1.9194302594191204
Energy: 2.2480043735117543
Energy: 2.0225088511951923
Energy: 2.052121609535765
Energy: 2.0163058844314103
Energy: 2.091412742443817
Energy: 1.9194302594191204

minimum gb energy = 1.9187297444778075 eV
minimum distance =  2.50097218145318 Angstroms
sigma value = 33


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

Energy: 2.407318225627289
Energy: 2.1698012419475283
Energy: 2.1646572732930065
Energy: 2.593847038143055
Energy: 2.1121652314569603
Energy: 2.170330863511828
Energy: 2.407318225629489
Energy: 2.1698012419475283
Energy: 2.1646572732908065
Energy: 2.5439249169850733
Energy: 2.4328493606645543
Energy: 2.460254050219118
Energy: 2.11058225658628
Energy: 2.1985430933427987
Energy: 2.1594367393383243
Energy: 2.2208417801528593
Energy: 2.4328493606645543
Energy: 2.460254050219118
Energy: 2.11058225658628
Energy: 2.1985430933427987
Energy: 2.173551521884949
Energy: 2.122224208668026
Energy: 2.417112735399985
Energy: 2.3953089612624545
Energy: 2.146531609728415
Energy: 2.156217933542354
Energy: 2.173551521887149
Energy: 2.1222242086658256
Energy: 2.417112735399985
Energy: 2.3953089612624545
Energy: 2.379546139633699
Energy: 2.1219470846605244
Energy: 2.165884786325914
Energy: 2.1263762564895683
Energy: 2.3079347262020247
Energy: 2.396876741819219
Energy: 2.379546139631499
Energy: 2.1219470846627244
Energy: 2.165884786325914
Energy: 2.1263762564895683
Energy: 2.172865697133867
Energy: 2.12228591169896
Energy: 2.410951356600188
Energy: 2.3966249915532933
Energy: 2.2642526870144692
Energy: 2.1268031059683152
Energy: 2.172865697133867
Energy: 2.12228591169896
Energy: 2.410951356600188
Energy: 2.3966249915510938
Energy: 2.4069171159308795
Energy: 2.121796776995267
Energy: 2.19285306674781
Energy: 2.1584299549101122
Energy: 2.146373145913093
Energy: 2.3958759358979442
Energy: 2.4069171159308795
Energy: 2.121796776995267
Energy: 2.19285306674781
Energy: 2.1584299549101122
Energy: 2.1084450033847406
Energy: 2.2405401747543814
Energy: 2.4237488119742365
Energy: 2.22428529274737
Energy: 2.1579938559330354
Energy: 2.19860271138026
Energy: 2.1084450033825406
Energy: 2.2405402832788686
Energy: 2.4237488119742365
Energy: 2.22428529274737
Energy: 2.112560929188454
Energy: 2.1455629551293973
Energy: 2.3683665145099577
Energy: 2.318418196540148
Energy: 2.184201053179112
Energy: 2.3760015338095664
Energy: 2.112560929195054
Energy: 2.145562955131597
Energy: 2.3683665145077577
Energy: 2.318418196540148
Energy: 2.1600857461159757
Energy: 2.1573695457970423
Energy: 2.4230065728355834
Energy: 2.417034868217465
Energy: 2.113727455554041
Energy: 2.206786716306348
Energy: 2.1600857461159757
Energy: 2.157369545799243
Energy: 2.4230065728333834
Energy: 2.417034868217465
Energy: 2.1465251533847742
Energy: 2.156231075448063
Energy: 2.1738137610836836
Energy: 2.1226187681030138
Energy: 2.386320295106955
Energy: 2.394579735372893
Energy: 2.1465251533847742
Energy: 2.156231075448063
Energy: 2.1738137610858836
Energy: 2.1226187681030138
Energy: 2.251494098481721
Energy: 2.213302262462071
Energy: 2.4073675701236277
Energy: 2.1213149190460547
Energy: 2.1662585563832497
Energy: 2.3521770223356575
Energy: 2.251494098481721
Energy: 2.213302262462071
Energy: 2.4073675701258272
Energy: 2.1213149190460547
Energy: 2.2626425955915157
Energy: 2.126709614268751
Energy: 2.172874200025287
Energy: 2.122912576275954
Energy: 2.410456932010167
Energy: 2.397117885625049
Energy: 2.2626425955915157
Energy: 2.126709614268751
Energy: 2.1728742000274877
Energy: 2.122912576278154
Energy: 2.1526725767553727
Energy: 2.3187973906438937
Energy: 2.406599925414616
Energy: 2.118823323114482
Energy: 2.1954466999645987
Energy: 2.1581316828494694
Energy: 2.1526725767553727
Energy: 2.3187973906438937
Energy: 2.406599925416816
Energy: 2.118823323116682
Energy: 2.156960654388008
Energy: 2.1989241720098773
Energy: 2.108489442906157
Energy: 2.30684104945353
Energy: 2.4033444806087783
Energy: 2.2409074271021616
Energy: 2.156960654385808
Energy: 2.1989241720098773
Energy: 2.108489442906157
Energy: 2.306841049180849
Energy: 2.1834728121287283
Energy: 2.374029477636271
Energy: 2.1659645766725397
Energy: 2.102703786913095
Energy: 2.3297980178529656
Energy: 2.3193464992905244
Energy: 2.1834728121287283
Energy: 2.374029477636271
Energy: 2.1659645766637396
Energy: 2.102703786913095
Energy: 2.1138371929691973
Energy: 2.2062860261959822
Energy: 2.166689674475064
Energy: 2.1565607751642375
Energy: 2.106056577039423
Energy: 2.4177719766731838
Energy: 2.1138371929691973
Energy: 2.2062860261959822
Energy: 2.166689674475064
Energy: 2.1565607751620375
Energy: 2.2022587248178804
Energy: 2.3945230126769395
Energy: 2.146258728212143
Energy: 2.1560768372771753
Energy: 2.128043526409481
Energy: 2.1237449824817385
Energy: 2.2022587250202013
Energy: 2.3945230126747794
Energy: 2.146258728214343
Energy: 2.1560768372771753
Energy: 2.1665761675393598
Energy: 2.3517473511741733
Energy: 2.2503218474392153
Energy: 2.203946454977489
Energy: 2.4229114721667218
Energy: 2.121161649786753
Energy: 2.1665761675393598
Energy: 2.3517473511741733
Energy: 2.2503218474392153
Energy: 2.203946454977489
Energy: 2.146388850081615
Energy: 2.3962063285668673
Energy: 2.2606136278407383
Energy: 2.1293366799050237
Energy: 2.2990027817731145
Energy: 2.1239620248625797
Energy: 2.146388850081615
Energy: 2.396206328564667
Energy: 2.2606136278407383
Energy: 2.1293366799050237
Energy: 2.1878232105131876
Energy: 2.1564927739836923
Energy: 2.156464981224346
Energy: 2.3191920537940667
Energy: 2.4070550094472516
Energy: 2.113030732710995
Energy: 2.1878232105131876
Energy: 2.1564927739836923
Energy: 2.156464981224346
Energy: 2.3191920537918667
Energy: 2.4033667898921283
Energy: 2.2929445159943196
Energy: 2.156802566844813
Energy: 2.1985204013441315
Energy: 2.1089456706779233
Energy: 2.3913362325829026
Energy: 2.4033667898921283
Energy: 2.2929445159943196
Energy: 2.156802566844813
Energy: 2.1985204013441315
Energy: 2.150117942931719
Energy: 2.31812303331421
Energy: 2.1837866476835033
Energy: 2.3741569978977934
Energy: 2.372418051244569
Energy: 2.321615329377103
Energy: 2.150117942931719
Energy: 2.31812303331201
Energy: 2.183786647685703
Energy: 2.3741569978977934
Energy: 2.1059555707841118
Energy: 2.423345618789441
Energy: 2.1135709473938116
Energy: 2.2054805365580146
Energy: 2.170601235798845
Energy: 2.156413077403847
Energy: 2.1059555707841118
Energy: 2.423345618785041
Energy: 2.1135709473938116
Energy: 2.2054805365580146
Energy: 2.1297427081339757
Energy: 2.125079497257851
Energy: 2.1635523021498497
Energy: 2.3950301463458077
Energy: 2.14651409253184
Energy: 2.156213128824322
Energy: 2.1297427081339757
Energy: 2.125079497255651
Energy: 2.1635523021498497
Energy: 2.3950301463480077
Energy: 2.4517823771438323
Energy: 2.1129283846979847
Energy: 2.193936773297862
Energy: 2.3518537881045245
Energy: 2.2508582926736036
Energy: 2.1678369337314676
Energy: 2.4517823771438323
Energy: 2.1129283846979847
Energy: 2.193936773297862
Energy: 2.3518537881067245
Energy: 2.298788077443841
Energy: 2.1246474812431284
Energy: 2.1458778576747974
Energy: 2.395101758301349
Energy: 2.2486307350099155
Energy: 2.127293737705603
Energy: 2.298788077443841
Energy: 2.1246474812431284
Energy: 2.1458778576747974
Energy: 2.395101758301349
Energy: 2.4064392066864992
Energy: 2.113163891381409
Energy: 2.220477170462653
Energy: 2.1559617535331177
Energy: 2.1565512609441204
Energy: 2.3184088947392647
Energy: 2.4064392066864992
Energy: 2.1131638913792092
Energy: 2.220477170462653
Energy: 2.1559617535331177
Energy: 2.2198108678545396
Energy: 2.397682509281154
Energy: 2.403569889472828
Energy: 2.366678834241093
Energy: 2.15659701405139
Energy: 2.1983478671428958
Energy: 2.2198108678545396
Energy: 2.397682509281154
Energy: 2.403569889472828
Energy: 2.366678834241093
Energy: 2.1625391811334147
Energy: 2.2762393649763903
Energy: 2.1403254543461294
Energy: 2.318100007234005
Energy: 2.110900851464483
Energy: 2.3729478158290704
Energy: 2.162539181074054
Energy: 2.2762393649763903
Energy: 2.1403254543439294
Energy: 2.318100007234005
Energy: 2.124080757299363
Energy: 2.1568559871735546
Energy: 2.1062881230618813
Energy: 2.3957652711148287
Energy: 2.1124294946347737
Energy: 2.205768927041213
Energy: 2.124080757299363
Energy: 2.1568559871735546
Energy: 2.106288123057481
Energy: 2.3957652711148287
Energy: 2.1501669068622706
Energy: 2.1560998874917687
Energy: 2.143704842274923
Energy: 2.130127521780728
Energy: 2.178579777728992
Energy: 2.3959711395227874
Energy: 2.1501669068622706
Energy: 2.1560998874939687
Energy: 2.143704842274923
Energy: 2.130127521780728
Energy: 2.2504216712678233
Energy: 2.203128269512052
Energy: 2.4312332649324278
Energy: 2.117512039010012
Energy: 2.1927623677284522
Energy: 2.3514414712901646
Energy: 2.2504216712700233
Energy: 2.203128269512052
Energy: 2.4312332649324278
Energy: 2.117512039010012
Energy: 2.1843314948473385
Energy: 2.1258904724394245
Energy: 2.169338388198961
Energy: 2.130591058971441
Energy: 2.1455879914292595
Energy: 2.395574266704983
Energy: 2.1843315066429514
Energy: 2.1258904724394245
Energy: 2.169338388196761
Energy: 2.130591058971441
Energy: 2.156965702714932
Energy: 2.3185979738367535
Energy: 2.406623444397072
Energy: 2.1166946568425797
Energy: 2.2295636106596466
Energy: 2.156533424588674
Energy: 2.156965702714932
Energy: 2.3185979738389535
Energy: 2.406623444397072
Energy: 2.1166946568425797
Energy: 2.1540899007569325
Energy: 2.1990826806810806
Energy: 2.1473441296564775
Energy: 2.2898998128234602
Energy: 2.4208825777608336
Energy: 2.351331582991332
Energy: 2.154089900754733
Energy: 2.1990826806810806
Energy: 2.1473441296564775
Energy: 2.2898998128234602
Energy: 2.1126461583135563
Energy: 2.368028838050763
Energy: 2.166053580477534
Energy: 2.4321378960633435
Energy: 2.169058199363632
Energy: 2.318325400742225
Energy: 2.1126461583135563
Energy: 2.368028838070563
Energy: 2.1660535779200822
Energy: 2.4321378960633435
Energy: 2.112509230346435
Energy: 2.2070606077527897
Energy: 2.1272277662123225
Energy: 2.156559117451722
Energy: 2.1104441572729846
Energy: 2.390440182587279
Energy: 2.112509230346435
Energy: 2.2070606077527897
Energy: 2.1272277662123225
Energy: 2.156559117451722
Energy: 2.2066601209977343
Energy: 2.3965998111705047
Energy: 2.1514556409771903
Energy: 2.1560788231118426
Energy: 2.142089109309464
Energy: 2.130684717540234
Energy: 2.2066601209955343
Energy: 2.3965998111683047
Energy: 2.1514556409771903
Energy: 2.156078823109643
Energy: 2.1667544592227013
Energy: 2.126144524074874
Energy: 2.2524305764236074
Energy: 2.130912742255817
Energy: 2.4184312568673985
Energy: 2.1133552600681687
Energy: 2.1667544592227013
Energy: 2.1261445240726737
Energy: 2.2524305764236074
Energy: 2.130912742255817
Energy: 2.1451827764671156
Energy: 2.3976820918494015
Energy: 2.424624480835559
Energy: 2.128214956697405
Energy: 2.515585915949181
Energy: 2.1309904496206196
Energy: 2.1451827764671156
Energy: 2.3976820918494015
Energy: 2.424624480835559
Energy: 2.128214956697405
Energy: 2.2368930969848027
Energy: 2.1578549169633336
Energy: 2.1575867943922087
Energy: 2.224727934384554
Energy: 2.368396899438412
Energy: 2.1167340320918804
Energy: 2.2368930969848027
Energy: 2.1578549169633336
Energy: 2.1575867943922087
Energy: 2.224727934384554
Energy: 2.3654481856416805
Energy: 2.318539310696415
Energy: 2.15409707648788
Energy: 2.2010555907367264
Energy: 2.14601609233474
Energy: 2.27781936123887
Energy: 2.3654481856394804
Energy: 2.318539310694215
Energy: 2.15409707649008
Energy: 2.2010555907345664
Energy: 2.1923995989043035
Energy: 2.3186362164132137
Energy: 2.1141644283565175
Energy: 2.3803497592377996
Energy: 2.4763134435610894
Energy: 2.475369574926531
Energy: 2.1923995989043035
Energy: 2.3186362164132137
Energy: 2.114164428354318
Energy: 2.3803497592377996
Energy: 2.118028729263388
Energy: 2.4477933259387843
Energy: 2.1139237374591593
Energy: 2.2002523060164885
Energy: 2.1261156208494665
Energy: 2.156584134127496
Energy: 2.1180287291094273
Energy: 2.4477933259387843
Energy: 2.1139237374591593
Energy: 2.2002523060164885
Energy: 2.1426874437251406
Energy: 2.131835933368625
Energy: 2.1869620668722196
Energy: 2.396570853895575
Energy: 2.1525118222775754
Energy: 2.1563573679410384
Energy: 2.142687443727341
Energy: 2.131835933368625
Energy: 2.1869620668744196
Energy: 2.396570853895575
Energy: 2.485176305149163
Energy: 2.4502334453197747
Energy: 2.1665380808706787
Energy: 2.126334923960008
Energy: 2.2520374754555617
Energy: 2.130204637100795
Energy: 2.485176305149163
Energy: 2.4502334453197747
Energy: 2.1665380808706787
Energy: 2.126334923960008
Energy: 2.5160589010592336
Energy: 2.1317320050996464
Energy: 2.1449142613664294
Energy: 2.399041286728258
Energy: 2.406699548482483
Energy: 2.1268665361528365
Energy: 2.5160589010592336
Energy: 2.1317320050996464
Energy: 2.1449142613664294
Energy: 2.399041286730458
Energy: 2.178337844486181
Energy: 2.3715823100770255
Energy: 2.2262968344339407
Energy: 2.1580550955023305
Energy: 2.1589789700883237
Energy: 2.2212207497448775
Energy: 2.178337844554341
Energy: 2.3715823100792255
Energy: 2.2262968344339407
Energy: 2.1580550955023305
Energy: 2.1455996840477476
Energy: 2.3967886944780363
Energy: 2.3500938873827493
Energy: 2.461790132524738
Energy: 2.1704470041415065
Energy: 2.1976835243632533
Energy: 2.1455996840477476
Energy: 2.3967886944802363
Energy: 2.3500938873827493
Energy: 2.461790132524738
Energy: 2.403733134806398
Energy: 2.4621489525436138
Energy: 2.168467718697943
Energy: 2.3184969303019547
Energy: 2.114198673268166
Energy: 2.3607864498045323
Energy: 2.403733134806398
Energy: 2.4621489525458133
Energy: 2.168467718697943
Energy: 2.3184969303019547
Energy: 2.125650733430416
Energy: 2.1563789208867554
Energy: 2.1455533780933584
Energy: 2.3834704476988167
Energy: 2.1126526468466214
Energy: 2.2709567668689146
Energy: 2.1256507334282166
Energy: 2.1563789208845554
Energy: 2.1455533780933584
Energy: 2.3834704476988167
Energy: 2.1842707480192938
Energy: 2.15630743957576
Energy: 2.1421498859141224
Energy: 2.1339454122145405
Energy: 2.1651302939938986
Energy: 2.3962752949140214
Energy: 2.1842707480192938
Energy: 2.15630743957356
Energy: 2.1421498859141224
Energy: 2.1339454122145405
Energy: 2.251734919524463
Energy: 2.1279212081952124
Energy: 2.4869223210566567
Energy: 2.383736618704628
Energy: 2.217691477546085
Energy: 2.126439549296073
Energy: 2.251734919526663
Energy: 2.1279212081952124
Energy: 2.4869223210566567
Energy: 2.383736618704628
Energy: 2.408362405896483
Energy: 2.129049100148142
Energy: 2.613630282489258
Energy: 2.1338741730193114
Energy: 2.1442285266278716
Energy: 2.4299460710405767
Energy: 2.408362405896483
Energy: 2.129049100148142
Energy: 2.613630282489258
Energy: 2.1338741730193114
Energy: 2.1604497119512938
Energy: 2.23914526444876
Energy: 2.179942623973108
Energy: 2.382854991237417
Energy: 2.2173606651035596
Energy: 2.1561061537553963
Energy: 2.1604497119512938
Energy: 2.23914526445096
Energy: 2.179942623975308
Energy: 2.382854991237417
Energy: 2.2648831969210717
Energy: 2.1978623967474396
Energy: 2.145989773481725
Energy: 2.2020646757067373
Energy: 2.333518692249268
Energy: 2.4546121644279886
Energy: 2.2648831969210717
Energy: 2.19786239674964
Energy: 2.145989773481725
Energy: 2.2020646757089373
Energy: 2.114299982649197
Energy: 2.205618904955557
Energy: 2.4156071944842408
Energy: 2.4489371215586906
Energy: 2.1400201046270184
Energy: 2.341600108654746
Energy: 2.114299982649197
Energy: 2.205618904953357
Energy: 2.4156071944842408
Energy: 2.4489371215586906
Energy: 2.112310263914475
Energy: 2.270332583927212
Energy: 2.126145499002527
Energy: 2.156127793635464
Energy: 2.1449416440888167
Energy: 2.382193499959405
Energy: 2.112310263914475
Energy: 2.270332583927212
Energy: 2.126145499000327
Energy: 2.156127793635464
Energy: 2.17408127740713
Energy: 2.234533037132526
Energy: 2.1074824017839537
Energy: 2.156662974216939
Energy: 2.1422932262596075
Energy: 2.132904982993012
Energy: 2.1740812774137295
Energy: 2.234533037132526
Energy: 2.1074824017839537
Energy: 2.156662974214739
Energy: 2.217913187678224
Energy: 2.1261385499637964
Energy: 2.2519012193722547
Energy: 2.1279930756938197
Energy: 2.4090248472007967
Energy: 2.37667428816326
Energy: 2.217913187678224
Energy: 2.1261385499637964
Energy: 2.2519012193722547
Energy: 2.1279930756960193

minimum gb energy = 2.102703786913095 eV
minimum distance =  2.43752116891809 Angstroms
sigma value = 219


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

Energy: 2.186985972387595
Energy: 2.341703268184666
Energy: 2.196422987533043
Energy: 2.474818788681253
Energy: 2.1964312500424965
Energy: 2.34185667208719
Energy: 2.186985972387595
Energy: 2.341703268184666
Energy: 2.196422987533043
Energy: 2.474818788687077
Energy: 2.1616115369165487
Energy: 2.272726164691864
Energy: 2.1973442305878574
Energy: 2.1945259543484377
Energy: 2.3154224883815377
Energy: 2.3625910953830425
Energy: 2.1616115369165487
Energy: 2.272726164691864
Energy: 2.1973442305878574
Energy: 2.1945259543484377
Energy: 2.5144402706780844
Energy: 2.1965540991111805
Energy: 2.1956371542002486
Energy: 2.19603528205344
Energy: 2.341639266686681
Energy: 2.315256240687878
Energy: 2.385012221346781
Energy: 2.1965540991111805
Energy: 2.1956371542002486
Energy: 2.19603528205344
Energy: 2.2724783621539086
Energy: 2.196602035873814
Energy: 2.295546803370944
Energy: 2.1620643462379485
Energy: 2.3150937378137617
Energy: 2.161825438319458
Energy: 2.2724783621539086
Energy: 2.196602035873814
Energy: 2.295546803370944
Energy: 2.1620643462379485
Energy: 2.2732016297454836
Energy: 2.1621443092328363
Energy: 2.1942345928273097
Energy: 2.162486454085456
Energy: 2.290764839039131
Energy: 2.2326703987456393
Energy: 2.2732016297454836
Energy: 2.1621443092328363
Energy: 2.194234592825854
Energy: 2.162486454085456
Energy: 2.5901663076995507
Energy: 2.3168290995726823
Energy: 2.316910196389231
Energy: 2.5901663076995507
Energy: 2.1956419451927043
Energy: 2.1956988677614677
Energy: 2.5901663076995507
Energy: 2.3168290995726823
Energy: 2.316910196389231
Energy: 2.5901663076995507
Energy: 2.1624760995968897
Energy: 2.197954148528986
Energy: 2.1620706803691
Energy: 2.273182855544422
Energy: 2.2326701131337297
Energy: 2.2907398245031003
Energy: 2.1624760995968897
Energy: 2.1979541485406338
Energy: 2.1620706803691
Energy: 2.273182855544422
Energy: 2.1610022126975332
Energy: 2.2955750092114755
Energy: 2.1966549474402
Energy: 2.2724507198412054
Energy: 2.161926034192458
Energy: 2.3152529439283978
Energy: 2.1610022126975332
Energy: 2.2955750092114755
Energy: 2.1966549474402
Energy: 2.2724507198412054
Energy: 2.1959940463794205
Energy: 2.195615451931962
Energy: 2.1962745272067217
Energy: 2.5909801617969124
Energy: 2.315248264247287
Energy: 2.341643351901993
Energy: 2.1959940463794205
Energy: 2.2602192710933022
Energy: 2.1962745272067217
Energy: 2.5909801617969124

minimum gb energy = 2.1610022126975332 eV
minimum distance =  2.47985937666019 Angstroms
sigma value = 15


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

Energy: 2.5784621917327026
Energy: 2.3612369638784965
Energy: 2.3410290690377633
Energy: 2.654705691731512
Energy: 2.3365690840698137
Energy: 2.3611159610849883
Energy: 2.5784621917327026
Energy: 2.3612369638784965
Energy: 2.3410290690404483
Energy: 2.6224501308999772
Energy: 2.3314542995397463
Energy: 2.5517177156256463
Energy: 2.3457362225889122
Energy: 2.3645111174296405
Energy: 2.3884582517060133
Energy: 2.4053518573165267
Energy: 2.3314542995397463
Energy: 2.5517177156256463
Energy: 2.3457362225889122
Energy: 2.3645111174296405
Energy: 2.4100191762837184
Energy: 2.378141811761195
Energy: 2.4365985676488657
Energy: 2.360419826855246
Energy: 2.428122872999374
Energy: 2.3654805113016137
Energy: 2.410019176286404
Energy: 2.378141811761195
Energy: 2.4365985676515507
Energy: 2.360419826855246
Energy: 2.4139453208211483
Energy: 2.377845075436719
Energy: 2.495922806391253
Energy: 2.3573812623312453
Energy: 2.385442070289073
Energy: 2.3548443991731443
Energy: 2.413945320818463
Energy: 2.377845075436719
Energy: 2.495922806391253
Energy: 2.35738126232856
Energy: 2.386459735106024
Energy: 2.474229954295624
Energy: 2.4090528709858443
Energy: 2.382134486136283
Energy: 2.459827315002398
Energy: 2.3703535103497826
Energy: 2.386459735106024
Energy: 2.474229954295624
Energy: 2.4090528709885293
Energy: 2.3821344861335976
Energy: 2.385017531689756
Energy: 2.3634317963120557
Energy: 2.3370217846641794
Energy: 2.363811448915738
Energy: 2.370020993105962
Energy: 2.393082795093213
Energy: 2.385017531689756
Energy: 2.3634317963120557
Energy: 2.3370217846641794
Energy: 2.3638114489130526
Energy: 2.3442710777203435
Energy: 2.3713576613995455
Energy: 2.3669260682809545
Energy: 2.3791702771176437
Energy: 2.3701311768876563
Energy: 2.4657475097326946
Energy: 2.3442710777203435
Energy: 2.3713576613995455
Energy: 2.366926068278269
Energy: 2.3791702771176437
Energy: 2.3366707121510677
Energy: 2.4626911868600763
Energy: 2.3843309069912393
Energy: 2.3681137127806418
Energy: 2.319413768007063
Energy: 2.370642930827349
Energy: 2.336670712153753
Energy: 2.4626911868600763
Energy: 2.3843309069912393
Energy: 2.3681137127806418
Energy: 2.432911986638297
Energy: 2.3864849855720243
Energy: 2.4726378890409944
Energy: 2.3708340362672247
Energy: 2.401876599927044
Energy: 2.3780591911539855
Energy: 2.432911986638297
Energy: 2.3864849855720243
Energy: 2.4726378890409944
Energy: 2.3708340362672247
Energy: 2.3206085139635295
Energy: 2.5712237736320054
Energy: 2.38847973803364
Energy: 2.366336598936664
Energy: 2.4166085174346836
Energy: 2.3792527219933888
Energy: 2.320608513966215
Energy: 2.5712237736293204
Energy: 2.38847973803364
Energy: 2.366336598933979
Energy: 2.43741448791445
Energy: 2.3904300823344506
Energy: 2.7725905240420534
Energy: 2.3763283294250277
Energy: 2.3856354042492756
Energy: 2.480534026008668
Energy: 2.43741448791445
Energy: 2.3904300823317652
Energy: 2.7725905240420534
Energy: 2.3763283294277127
Energy: 2.3348598899570416
Energy: 2.4363047295811717
Energy: 2.370006167954475
Energy: 2.3855110353131312
Energy: 2.3207835361224864
Energy: 2.4326716344917143
Energy: 2.3348598899570416
Energy: 2.4363047295784868
Energy: 2.370006167954475
Energy: 2.385511035315816
Energy: 2.322171981889764
Energy: 2.3667832868953833
Energy: 2.3700231005985177
Energy: 2.4603696848948
Energy: 2.3351543498906815
Energy: 2.463318531075278
Energy: 2.32217198189245
Energy: 2.3667832868953833
Energy: 2.3700231005958328
Energy: 2.4603696848948
Energy: 2.395205896075521
Energy: 2.3666414325854896
Energy: 2.776883069774507
Energy: 2.389160441573077
Energy: 2.4367861785719698
Energy: 2.479125230121666
Energy: 2.395205896078206
Energy: 2.3666414325908605
Energy: 2.776883069774507
Energy: 2.389160441570392
Energy: 2.4171963855673915
Energy: 2.380747563502251
Energy: 2.405248816049347
Energy: 2.356406912367954
Energy: 2.323180439151036
Energy: 2.4009482847581833
Energy: 2.4171963855700764
Energy: 2.380747563502251
Energy: 2.405248816052032
Energy: 2.356406912367954
Energy: 2.401842575325529
Energy: 2.373446598113763
Energy: 2.4573277689272355
Energy: 2.4175327853423245
Energy: 2.406313534270536
Energy: 2.3775376394908685
Energy: 2.401842575325529
Energy: 2.373446598113763
Energy: 2.4573277689272355
Energy: 2.4175327853423245
Energy: 2.3212185122187523
Energy: 2.36726374549876
Energy: 2.3863146050828057
Energy: 2.463574275223767
Energy: 2.3376025156746385
Energy: 2.359363248552067
Energy: 2.3212185122187523
Energy: 2.3672637454960745
Energy: 2.3863146050801207
Energy: 2.463574275221082
Energy: 2.371814199651959
Energy: 2.3694531782333614
Energy: 2.4165131329057763
Energy: 2.4118781424550337
Energy: 2.3419995764049406
Energy: 2.4424137076926495
Energy: 2.371814199651959
Energy: 2.3694531782333614
Energy: 2.4165131329057763
Energy: 2.4118781424523976
Energy: 2.3707485693461257
Energy: 2.3606697980968208
Energy: 2.33516905740438
Energy: 2.3606561285695484
Energy: 2.3180013767060625
Energy: 2.3896657153236083
Energy: 2.3707485693461257
Energy: 2.3606697980968208
Energy: 2.33516905740438
Energy: 2.3606561285695484
Energy: 2.498103517549087
Energy: 2.4042036682291483
Energy: 2.4091070049399326
Energy: 2.49406983447486
Energy: 2.385217869955951
Energy: 2.373342179074393
Energy: 2.498103517549087
Energy: 2.4042036682291483
Energy: 2.4091070049399326
Energy: 2.49406983447486
Energy: 2.3865536285462854
Energy: 2.356434044498299
Energy: 2.4971347801303176
Energy: 2.3774477628487527
Energy: 2.405917326449181
Energy: 2.3549133908929885
Energy: 2.3865536285436
Energy: 2.356434044495614
Energy: 2.4971347801330026
Energy: 2.3774477628487527
Energy: 2.4749671586275097
Energy: 2.362360133372049
Energy: 2.4369953803540767
Energy: 2.3782614898306162
Energy: 2.413977953067845
Energy: 2.365695957248065
Energy: 2.4749671586275097
Energy: 2.362360133372049
Energy: 2.4369953803540767
Energy: 2.378261489833301
Energy: 2.3862610117798817
Energy: 2.369339397201676
Energy: 2.3482815090950666
Energy: 2.6174373907760673
Energy: 2.321391986322225
Energy: 2.3967901425245333
Energy: 2.3862610117825667
Energy: 2.369339397201676
Energy: 2.348281509092381
Energy: 2.6174373907760673
Energy: 2.3401625613603136
Energy: 2.4136847408065107
Energy: 2.3361267036513724
Energy: 2.4392439568235256
Energy: 2.522365313119922
Energy: 2.3405714548646945
Energy: 2.3401625613603136
Energy: 2.413684740908502
Energy: 2.3361267036513724
Energy: 2.4392439568208406
Energy: 2.3436761911151334
Energy: 2.3588087491234733
Energy: 2.392189379328657
Energy: 2.414449932848169
Energy: 2.321345581729497
Energy: 2.552020263478646
Energy: 2.3436761911151334
Energy: 2.3588087491234733
Energy: 2.392189379325972
Energy: 2.4144499328508537
Energy: 2.4409601390171045
Energy: 2.3585810478586167
Energy: 2.3917984028293113
Energy: 2.3659530067792747
Energy: 2.4067023332013884
Energy: 2.3840852250470452
Energy: 2.4409601390144195
Energy: 2.3585810478586167
Energy: 2.391798402826626
Energy: 2.3659530067819596
Energy: 2.495053142855227
Energy: 2.358635486123361
Energy: 2.3882243533824097
Energy: 2.3545051375997836
Energy: 2.427069512001374
Energy: 2.3780219747728357
Energy: 2.495053142855227
Energy: 2.358635486123361
Energy: 2.3882243533797247
Energy: 2.3545051376024686
Energy: 2.3512281019761767
Energy: 2.381037906114257
Energy: 2.405818893725415
Energy: 2.3682852804558636
Energy: 2.386578339750871
Energy: 2.3719038961058905
Energy: 2.3512281019761767
Energy: 2.381037906114257
Energy: 2.405818893722729
Energy: 2.3682852804585486
Energy: 2.339923926674819
Energy: 2.598958915090767
Energy: 2.3696486530310263
Energy: 2.4804268339121727
Energy: 2.385300951827334
Energy: 2.3615070851784625
Energy: 2.339923926674819
Energy: 2.5837354128083545
Energy: 2.3696486530337113
Energy: 2.477587510299641
Energy: 2.366171124079262
Energy: 2.339859382759227
Energy: 2.3683987097799175
Energy: 2.4882408269944953
Energy: 2.3459103884947314
Energy: 2.3711544175703865
Energy: 2.366171124079262
Energy: 2.3398593827619125
Energy: 2.3683987097799175
Energy: 2.4882408269971803
Energy: 2.383795293308355
Energy: 2.406350171870464
Energy: 2.3226186217014395
Energy: 2.463677650556694
Energy: 2.3361705358127995
Energy: 2.4633991204471677
Energy: 2.383795293308355
Energy: 2.406350171867779
Energy: 2.3226186217014395
Energy: 2.582286238573026
Energy: 2.461255523291524
Energy: 2.3685589706838837
Energy: 2.387013444384976
Energy: 2.3773287113532398
Energy: 2.4505557685345853
Energy: 2.387398333980737
Energy: 2.461255523291524
Energy: 2.3685589706865686
Energy: 2.3870134443876614
Energy: 2.3773287113532398
Energy: 2.3933235377495836
Energy: 2.368369539373327
Energy: 2.5875534001457385
Energy: 2.378652132285698
Energy: 2.498108352016893
Energy: 2.573913127800557
Energy: 2.3933235377495836
Energy: 2.3683695393760127
Energy: 2.5875534001457385
Energy: 2.378652132285698
Energy: 2.8283617544999724
Energy: 2.3805310920634977
Energy: 2.3849519305269773
Energy: 2.468292547558011
Energy: 2.439372195969738
Energy: 2.388665912060224
Energy: 2.8283617545026574
Energy: 2.3805310920634977
Energy: 2.3849519305296627
Energy: 2.468292547558011
Energy: 2.4033550337671503
Energy: 2.38996438776278
Energy: 2.3202607757706475
Energy: 2.4429472899927673
Energy: 2.33389017968054
Energy: 2.322491117098926
Energy: 2.4033550337671503
Energy: 2.38996438776278
Energy: 2.3202607757706475
Energy: 2.4429472899900815
Energy: 2.3991245722900905
Energy: 2.462338039966185
Energy: 2.3373107200268066
Energy: 2.372786358193592
Energy: 2.3537004322690125
Energy: 2.3672056114179045
Energy: 2.3991245722900905
Energy: 2.462338039966185
Energy: 2.3373107200241217
Energy: 2.372786358193592
Energy: 2.4326532985740066
Energy: 2.3609183576093518
Energy: 2.3664060090645953
Energy: 2.4630589663534073
Energy: 2.3927795785349013
Energy: 2.3685732511500524
Energy: 2.4326532985740066
Energy: 2.360918357606666
Energy: 2.3664060090619103
Energy: 2.4630589663534073
Energy: 2.3854997720835827
Energy: 2.3570377720141797
Energy: 2.320953038251907
Energy: 2.4032847531872994
Energy: 2.4154201039969885
Energy: 2.3808061675121093
Energy: 2.3854997720889535
Energy: 2.3570377720141797
Energy: 2.320953038246537
Energy: 2.4032847531846144
Energy: 2.449234051245497
Energy: 2.39994731616089
Energy: 2.3959875863566373
Energy: 2.3638049334272813
Energy: 2.3856988534308674
Energy: 2.3768840240280116
Energy: 2.449234051245497
Energy: 2.3999473161582534
Energy: 2.3959875863566373
Energy: 2.3638049334272813
Energy: 2.388950022364965
Energy: 2.4736644962508905
Energy: 2.3696818154180064
Energy: 2.358721378207907
Energy: 2.3889855900827768
Energy: 2.367331553929269
Energy: 2.3889500223676507
Energy: 2.4736644962535763
Energy: 2.369681815420692
Energy: 2.358721378207907
Energy: 2.3546762480771624
Energy: 2.4417623923753626
Energy: 2.339367057717859
Energy: 2.4427997705332722
Energy: 2.370589059264064
Energy: 2.3690724606404676
Energy: 2.354676248074477
Energy: 2.4417623923753626
Energy: 2.3393670577151737
Energy: 2.4427997705332722
Energy: 2.334400167025094
Energy: 2.417064814248238
Energy: 2.3186913948604677
Energy: 2.3918169478120146
Energy: 2.370239368796188
Energy: 2.3609453587891673
Energy: 2.3344001670277787
Energy: 2.417064814248238
Energy: 2.3186913948604677
Energy: 2.3918169478120146
Energy: 2.4063229444284984
Energy: 2.4876312994906997
Energy: 2.3845522256228557
Energy: 2.3771069775477733
Energy: 2.764583503558879
Energy: 2.4063765291805455
Energy: 2.4063229444284984
Energy: 2.4876312994906997
Energy: 2.3845522256228557
Energy: 2.3771069775477733
Energy: 2.49728547571847
Energy: 2.377952323357641
Energy: 2.488830349959778
Energy: 2.3548303728999898
Energy: 2.395638541141165
Energy: 2.57047203154897
Energy: 2.49728547571847
Energy: 2.377952323360326
Energy: 2.488830349959778
Energy: 2.3548303729026747
Energy: 2.438820811604459
Energy: 2.3777050813729175
Energy: 2.418234337514166
Energy: 2.3665868203877274
Energy: 2.4643682328050143
Energy: 2.3622852102608776
Energy: 2.438820811601774
Energy: 2.3777050813729175
Energy: 2.418234337516851
Energy: 2.3665868203850424
Energy: 2.3374694425117952
Energy: 2.6207342456651257
Energy: 2.3212595130374045
Energy: 2.3962138463600904
Energy: 2.384497700995812
Energy: 2.3643549936798847
Energy: 2.337469442514481
Energy: 2.6207342456731815
Energy: 2.3212595130347196
Energy: 2.396213846362776
Energy: 2.3478636098905876
Energy: 2.4416102990292847
Energy: 2.3688658137899985
Energy: 2.3400517071463867
Energy: 2.337715062940205
Energy: 2.414311650512305
Energy: 2.3478636098905876
Energy: 2.4416102990292847
Energy: 2.368865813792684
Energy: 2.3400517071463867
Energy: 2.396187629626549
Energy: 2.403441969573665
Energy: 2.3212980787019775
Energy: 2.5520417582288437
Energy: 2.3415812293781175
Energy: 2.3591236795443242
Energy: 2.3961876296238636
Energy: 2.403441969573665
Energy: 2.3212980787019775
Energy: 2.5520417582288437
Energy: 2.387152221082433
Energy: 2.366818893452262
Energy: 2.404007691278064
Energy: 2.401731882511632
Energy: 2.356156085404437
Energy: 2.3574549371898006
Energy: 2.387152221082433
Energy: 2.366818893452262
Energy: 2.404007691278064
Energy: 2.401731882511632

minimum gb energy = 2.3180013767060625 eV
minimum distance =  2.44949659219768 Angstroms
sigma value = 293


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

Energy: 2.638200718780878
Energy: 2.336086125750808
Energy: 2.354881650255997
Energy: 2.4871327888963637
Energy: 2.3551679136745354
Energy: 2.3361728539492677
Energy: 2.638200718780878
Energy: 2.3360861257540964
Energy: 2.354881650255997
Energy: 2.4871327889095185
Energy: 2.337507918704208
Energy: 2.575297037438394
Energy: 2.3452018730365567
Energy: 2.375111169932661
Energy: 2.3695247651545137
Energy: 2.416695402265969
Energy: 2.337507918704208
Energy: 2.575297037438394
Energy: 2.3452018730365567
Energy: 2.375111169932661
Energy: 2.4169401593559727
Energy: 2.374009659872154
Energy: 2.4088346986964706
Energy: 2.3722728480569932
Energy: 2.435701484629755
Energy: 2.33293612493911
Energy: 2.4169401593559727
Energy: 2.374009659872154
Energy: 2.4088346986964706
Energy: 2.3722728480569932
Energy: 2.385605370895074
Energy: 2.372418792513405
Energy: 2.3676928038399563
Energy: 2.3522041974112793
Energy: 2.3599889004694323
Energy: 2.384001778289255
Energy: 2.3856053708917853
Energy: 2.372418792513405
Energy: 2.3676928038432448
Energy: 2.3522041974112793
Energy: 2.348361331009899
Energy: 2.5450298817879897
Energy: 2.448408152727982
Energy: 2.3637941261579782
Energy: 2.70499638588711
Energy: 2.352575059546265
Energy: 2.348361331009899
Energy: 2.5450298817879897
Energy: 2.448408152727982
Energy: 2.3637941261579782
Energy: 2.347768007180762
Energy: 2.383924185449626
Energy: 2.349407121457367
Energy: 2.348868818265202
Energy: 2.4276438734101324
Energy: 2.392447692926603
Energy: 2.347768007180762
Energy: 2.383924185449626
Energy: 2.349407121457367
Energy: 2.348868818265202
Energy: 2.3507119892250676
Energy: 2.4642134123844923
Energy: 2.4194751835278643
Energy: 2.3723252082903254
Energy: 2.3915177818234845
Energy: 2.4569506592786254
Energy: 2.3507119892250676
Energy: 2.4642134123844923
Energy: 2.4194751835278643
Energy: 2.3723252082903254
Energy: 2.386656172461256
Energy: 2.3936142577418997
Energy: 2.3936222713940967
Energy: 2.386702070377368
Energy: 2.333083044400181
Energy: 2.3333651093699954
Energy: 2.386656172461256
Energy: 2.3936142577418997
Energy: 2.3936222713940967
Energy: 2.386702070377368
Energy: 2.3726024416302938
Energy: 2.419646318629293
Energy: 2.4642101436238226
Energy: 2.3504436845247834
Energy: 2.4569637953995835
Energy: 2.391470162648648
Energy: 2.3726024416302938
Energy: 2.419646318629293
Energy: 2.4642101436238226
Energy: 2.3504436845247834
Energy: 2.3484342614510245
Energy: 2.349340051759852
Energy: 2.383785425600988
Energy: 2.3476806940184516
Energy: 2.3924569353559213
Energy: 2.4274802737127406
Energy: 2.348434261457602
Energy: 2.349340051759852
Energy: 2.383785425600988
Energy: 2.3476806940184516
Energy: 2.363615294281096
Energy: 2.4483852369982038
Energy: 2.5450298817879897
Energy: 2.348471458340521
Energy: 2.352552208020983
Energy: 2.70499638588711
Energy: 2.363615294281096
Energy: 2.4483852369982038
Energy: 2.5450298817879897
Energy: 2.348471458340521
Energy: 2.352150162634871
Energy: 2.3681872242241004
Energy: 2.3727591007707955
Energy: 2.3856161834295824
Energy: 2.3841467544689356
Energy: 2.3595654559662127
Energy: 2.352150162634871
Energy: 2.368187224227389
Energy: 2.3727591007707955
Energy: 2.385616183432871
Energy: 2.372327282412604
Energy: 2.4085826722568675
Energy: 2.373969849474411
Energy: 2.4169772838365353
Energy: 2.332918596224479
Energy: 2.5007947181949066
Energy: 2.372327282412604
Energy: 2.4085826722568675
Energy: 2.373969849474411
Energy: 2.4169772838365353
Energy: 2.3749977766224446
Energy: 2.345457715314396
Energy: 2.5755586567478224
Energy: 2.337268898635411
Energy: 2.4164618788769894
Energy: 2.3695364520940005
Energy: 2.3749977766224446
Energy: 2.345457715314396
Energy: 2.5755586567478224
Energy: 2.337268898635411
Energy: 2.4910814416966227
Energy: 2.3551679136745354
Energy: 2.336172853952556
Energy: 2.638200718780878
Energy: 2.336086125750808
Energy: 2.354881650255997
Energy: 2.4718655885330456
Energy: 2.3551679136745354
Energy: 2.3361728539492677
Energy: 2.638200718780878
Energy: 2.375111169932661
Energy: 2.3695247651545137
Energy: 2.41669540226268
Energy: 2.337507918704208
Energy: 2.575297037438394
Energy: 2.3452018730365567
Energy: 2.375111169932661
Energy: 2.3695247651545137
Energy: 2.416695402265969
Energy: 2.337507918704208
Energy: 2.3722728480569932
Energy: 2.435826254351208
Energy: 2.33293612493911
Energy: 2.416940159352684
Energy: 2.374009659872154
Energy: 2.4088346986964706
Energy: 2.3722728480569932
Energy: 2.435701484629755
Energy: 2.33293612493911
Energy: 2.4169401593559727
Energy: 2.3522041974112793
Energy: 2.3599889004694323
Energy: 2.384001778289255
Energy: 2.3856053708917853
Energy: 2.372418792513405
Energy: 2.3676928038432448
Energy: 2.3522041974112793
Energy: 2.3599889004694323
Energy: 2.384001778289255
Energy: 2.3856053708917853
Energy: 2.3637941261579782
Energy: 2.70499638588711
Energy: 2.352575059549554
Energy: 2.348361331009899
Energy: 2.5450298817879897
Energy: 2.448408152727982
Energy: 2.3637941261612667
Energy: 2.70499638588711
Energy: 2.352575059546265
Energy: 2.348361331009899
Energy: 2.348868818265202
Energy: 2.4276438734101324
Energy: 2.392447692926603
Energy: 2.347768007180762
Energy: 2.383924185449626
Energy: 2.349407121457367
Energy: 2.348868818265202
Energy: 2.4276438734101324
Energy: 2.392447692926603
Energy: 2.347768007180762
Energy: 2.3723252082903254
Energy: 2.3915177818234845
Energy: 2.4569506592786254
Energy: 2.3507119892250676
Energy: 2.464213412387781
Energy: 2.4194751835278643
Energy: 2.3723252082903254
Energy: 2.3915177818234845
Energy: 2.4569506592786254
Energy: 2.3507119892217783
Energy: 2.386702070377368
Energy: 2.333083044400181
Energy: 2.3333651093699954
Energy: 2.386656172461256
Energy: 2.3936142577418997
Energy: 2.3936222713940967
Energy: 2.386702070377368
Energy: 2.333083044400181
Energy: 2.3333651093699954
Energy: 2.386656172461256
Energy: 2.3504436845247834
Energy: 2.4569637953995835
Energy: 2.391470162648648
Energy: 2.3726024416302938
Energy: 2.419646318629293
Energy: 2.4642101436238226
Energy: 2.3504436845247834
Energy: 2.4569637953995835
Energy: 2.391470162648648
Energy: 2.3726024416302938
Energy: 2.3476806940184516
Energy: 2.3924569353559213
Energy: 2.4274802737127406
Energy: 2.348434261457602
Energy: 2.349340051759852
Energy: 2.383785425600988
Energy: 2.3476806940184516
Energy: 2.3924569353559213
Energy: 2.4274802737127406
Energy: 2.348434261454313
Energy: 2.348471458340521
Energy: 2.352552208020983
Energy: 2.70499638588711
Energy: 2.363615294281096
Energy: 2.4483852369982038
Energy: 2.5450298817879897
Energy: 2.348471458340521
Energy: 2.352552208020983
Energy: 2.70499638588711
Energy: 2.363615294281096
Energy: 2.385616183419716
Energy: 2.3841467544689356
Energy: 2.3595654559662127
Energy: 2.352150162634871
Energy: 2.3681872242208115
Energy: 2.3727591007707955
Energy: 2.385616183419716
Energy: 2.3841467544689356
Energy: 2.3595654559662127
Energy: 2.352150162634871
Energy: 2.4169772838365353
Energy: 2.332918596224479
Energy: 2.5007947181949066
Energy: 2.372327282412604
Energy: 2.4085826722568675
Energy: 2.373969849474411
Energy: 2.4169772838365353
Energy: 2.332918596224479
Energy: 2.5007947181949066
Energy: 2.372327282412604
Energy: 2.337268898635411
Energy: 2.4164618788769894
Energy: 2.3695364520940005
Energy: 2.3749977766224446
Energy: 2.345457715314396
Energy: 2.5755586567478224
Energy: 2.337268898635411
Energy: 2.4164618788769894
Energy: 2.3695364520940005
Energy: 2.3749977766224446
Energy: 2.638200718780878
Energy: 2.3360861257475185
Energy: 2.354881650255997
Energy: 2.491081440809043
Energy: 2.3551679136745354
Energy: 2.336172853952556
Energy: 2.638200718780878
Energy: 2.3360861257540964
Energy: 2.354881650255997
Energy: 2.4910814400365404
Energy: 2.337507918704208
Energy: 2.575297037438394
Energy: 2.3452018730365567
Energy: 2.375111169932661
Energy: 2.3695247651545137
Energy: 2.416695402265969
Energy: 2.337507918704208
Energy: 2.575297037438394
Energy: 2.3452018730365567
Energy: 2.375111169932661
Energy: 2.4169401593559727
Energy: 2.374009659872154
Energy: 2.4088346986964706
Energy: 2.3722728480569932
Energy: 2.435701484629755
Energy: 2.33293612493911
Energy: 2.4169401593559727
Energy: 2.374009659872154
Energy: 2.4088346986964706
Energy: 2.3722728480569932
Energy: 2.38560537090494
Energy: 2.372418792513405
Energy: 2.3676928038432448
Energy: 2.3522041974112793
Energy: 2.3599889004694323
Energy: 2.384001778289255
Energy: 2.385605370908229
Energy: 2.372418792513405
Energy: 2.3676928038432448
Energy: 2.3522041974112793
Energy: 2.348361331009899
Energy: 2.5450298817879897
Energy: 2.448408152727982
Energy: 2.3637941261579782
Energy: 2.70499638588711
Energy: 2.352575059546265
Energy: 2.348361331009899
Energy: 2.5450298817879897
Energy: 2.448408152727982
Energy: 2.3637941261579782
Energy: 2.347768007180762
Energy: 2.383924185449626
Energy: 2.349407121457367
Energy: 2.348868818265202
Energy: 2.4276438734101324
Energy: 2.392447692926603
Energy: 2.347768007180762
Energy: 2.383924185449626
Energy: 2.349407121457367
Energy: 2.348868818265202
Energy: 2.3507119892250676
Energy: 2.464213412387781
Energy: 2.4194751835278643
Energy: 2.3723252082936144
Energy: 2.3915177818234845
Energy: 2.4569506592786254
Energy: 2.3507119892250676
Energy: 2.464213412387781
Energy: 2.4194751835278643
Energy: 2.3723252082903254
Energy: 2.386656172461256
Energy: 2.3936142577418997
Energy: 2.3936222713940967
Energy: 2.386702070377368
Energy: 2.333083044400181
Energy: 2.3333651093699954
Energy: 2.386656172461256
Energy: 2.3936142577418997
Energy: 2.3936222713940967
Energy: 2.386702070377368
Energy: 2.3726024416302938
Energy: 2.419646318629293
Energy: 2.4642101436238226
Energy: 2.3504436845247834
Energy: 2.4569637953995835
Energy: 2.391470162648648
Energy: 2.3726024416302938
Energy: 2.419646318629293
Energy: 2.4642101436238226
Energy: 2.3504436845247834
Energy: 2.3484342614510245
Energy: 2.349340051759852
Energy: 2.383785425600988
Energy: 2.3476806940151627
Energy: 2.3924569353559213
Energy: 2.4274802737127406
Energy: 2.3484342614510245
Energy: 2.349340051759852
Energy: 2.383785425600988
Energy: 2.3476806940184516
Energy: 2.363615294281096
Energy: 2.4483852369982038
Energy: 2.5450298817879897
Energy: 2.348471458340521
Energy: 2.352552208020983
Energy: 2.70499638588711
Energy: 2.363615294281096
Energy: 2.4483852369982038
Energy: 2.5450298817879897
Energy: 2.348471458340521
Energy: 2.352150162634871
Energy: 2.368187224227389
Energy: 2.3727591007707955
Energy: 2.3856161834098497
Energy: 2.3841467544689356
Energy: 2.3595654559662127
Energy: 2.352150162634871
Energy: 2.3681872242241004
Energy: 2.3727591007707955
Energy: 2.3856161834098497

minimum gb energy = 2.332918596224479 eV
minimum distance =  2.43090831018646 Angstroms
sigma value = 293


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

Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 2.1106194487466374
Energy: 2.5676337922525136
Energy: 2.1106171241259166
Energy: 2.1112356140422994
Energy: 2.144877019009551
Energy: 2.1112651230547566
Energy: 2.1106194487472316
Energy: 2.608430249047908
Energy: 2.1111333091031157
Energy: 3.0361634986131705
Energy: 2.110602370741448
Energy: 2.6455940511362286
Energy: 3.006693102147968
Energy: 2.1116633726507175
Energy: 2.1111333091031157
Energy: 2.6091962252844745
Energy: 2.110602370741448
Energy: 2.645594051135635
Energy: 2.1585886053122803
Energy: 2.144772588647223
Energy: 2.912081023984357
Energy: 2.144784235928937
Energy: 2.110624916440844
Energy: 2.1105304724154657
Energy: 2.1585886053122803
Energy: 2.144772588647223
Energy: 2.9120810239837627
Energy: 2.144784235928937
Energy: 2.91188207710609
Energy: 2.1447927699769496
Energy: 2.1585771370628124
Energy: 2.1105151851557435
Energy: 2.110658762393114
Energy: 2.1447592136405444
Energy: 2.91188207710609
Energy: 2.1447927699769496
Energy: 2.1585771370628124
Energy: 2.1105151851557435
Energy: 2.110619188686537
Energy: 3.0332092945281066
Energy: 2.111130736738954
Energy: 2.11156904508035
Energy: 3.0067161518566796
Energy: 2.528099583669176
Energy: 2.110619188686537
Energy: 3.2207889080849577
Energy: 2.1111307367395487
Energy: 2.11156904508035
Energy: 2.1106171241259166
Energy: 2.1112356140428936
Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 2.1106194487472316
Energy: 2.5676337921562458
Energy: 2.1106171241259166
Energy: 2.1112356140422994
Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 3.006693102147968
Energy: 2.1116633726507175
Energy: 2.1111333091031157
Energy: 3.036163498613765
Energy: 2.110602370741448
Energy: 2.645594051135635
Energy: 3.006693102147968
Energy: 2.111663372651312
Energy: 2.1111333091031157
Energy: 2.6091962252844745
Energy: 2.110624916440844
Energy: 2.1105304724154657
Energy: 2.1585886053128744
Energy: 2.1447725886466285
Energy: 2.9120810239837627
Energy: 2.144784235928937
Energy: 2.110624916440844
Energy: 2.1105304724154657
Energy: 2.1585886053128744
Energy: 2.1447725886466285
Energy: 2.110658762393114
Energy: 2.1447592136405444
Energy: 2.911882077105496
Energy: 2.1447927699769496
Energy: 2.1585771370628124
Energy: 2.1105151851557435
Energy: 2.110658762393114
Energy: 2.1447592136405444
Energy: 2.911882077105496
Energy: 2.1447927699769496
Energy: 3.006716151856085
Energy: 2.705986258241652
Energy: 2.110619188686537
Energy: 2.524988912016763
Energy: 2.111130736738954
Energy: 2.111569045080945
Energy: 3.006716151856085
Energy: 2.528099583668582
Energy: 2.110619188686537
Energy: 3.2207889080849577
Energy: 2.1106194487466374
Energy: 2.5677454302568097
Energy: 2.1106171241259166
Energy: 2.1112356140422994
Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 2.1106194487466374
Energy: 2.567633792051684
Energy: 2.1106171241259166
Energy: 2.1112356140422994
Energy: 2.110602370741448
Energy: 2.6455940511362286
Energy: 3.006693102147968
Energy: 2.111663372651312
Energy: 2.1111333091031157
Energy: 3.036163498613765
Energy: 2.110602370741448
Energy: 2.645594051135635
Energy: 3.006693102147968
Energy: 2.1116633726507175
Energy: 2.9120810239837627
Energy: 2.1447842359295315
Energy: 2.110624916440844
Energy: 2.1105304724154657
Energy: 2.1585886053122803
Energy: 2.1447725886466285
Energy: 2.9120810239837627
Energy: 2.144784235928937
Energy: 2.110624916440844
Energy: 2.1105304724154657
Energy: 2.1585771370628124
Energy: 2.1105151851557435
Energy: 2.110658762393114
Energy: 2.1447592136411386
Energy: 2.911882077105496
Energy: 2.1447927699769496
Energy: 2.1585771370628124
Energy: 2.1105151851557435
Energy: 2.110658762393114
Energy: 2.1447592136405444
Energy: 2.111130736738954
Energy: 2.111569045080945
Energy: 3.0067161518566796
Energy: 2.528099583668582
Energy: 2.110619188687131
Energy: 3.0332092945281066
Energy: 2.111130736738954
Energy: 2.111569045080945
Energy: 3.006716151856085
Energy: 2.528099583668582
Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 2.1106194487466374
Energy: 2.567745430337001
Energy: 2.1106171241259166
Energy: 2.1112356140428936
Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 2.1106194487472316
Energy: 2.5676337919304784
Energy: 2.1111333091031157
Energy: 3.2207889080849577
Energy: 2.110602370741448
Energy: 2.645594051135635
Energy: 3.006693102147968
Energy: 2.1116633726507175
Energy: 2.1111333091031157
Energy: 3.0361634986143593
Energy: 2.110602370741448
Energy: 2.645594051135635
Energy: 2.1585886053128744
Energy: 2.144772588647223
Energy: 2.9120810239837627
Energy: 2.144784235928937
Energy: 2.110624916440844
Energy: 2.1105304724154657
Energy: 2.1585886053122803
Energy: 2.1447725886466285
Energy: 2.9120810239837627
Energy: 2.144784235928937
Energy: 2.911882077105496
Energy: 2.1447927699769496
Energy: 2.1585771370628124
Energy: 2.1105151851557435
Energy: 2.110658762393114
Energy: 2.1447592136405444
Energy: 2.911882077105496
Energy: 2.1447927699769496
Energy: 2.1585771370628124
Energy: 2.1105151851557435
Energy: 2.110619188687131
Energy: 2.426215244291186
Energy: 2.1111307367395487
Energy: 2.11156904508035
Energy: 3.0067161518566796
Energy: 2.528099583668582
Energy: 2.110619188687131
Energy: 3.2207889080849577
Energy: 2.1111307367395487
Energy: 2.11156904508035
Energy: 2.1106171241259166
Energy: 2.1112356140422994
Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 2.1106194487466374
Energy: 2.677699536545851
Energy: 2.1106171241259166
Energy: 2.1112356140422994
Energy: 2.144877019009551
Energy: 2.111265123054162
Energy: 3.006693102147968
Energy: 2.1116633726507175
Energy: 2.1111333091031157
Energy: 3.2207889080849577
Energy: 2.110602370741448
Energy: 2.6455940511362286
Energy: 3.006693102147968
Energy: 2.111663372651312
Energy: 2.1111333091031157
Energy: 2.944731688374872

minimum gb energy = 2.1105151851557435 eV
minimum distance =  2.39763838516643 Angstroms
sigma value = 15


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

Energy: 2.816525641643496
Energy: 2.294914708625905
Energy: 2.342189260452401
Energy: 2.3591948679151917
Energy: 2.34202874464481
Energy: 2.295439299279115
Energy: 2.816525641643496
Energy: 2.294914708625905
Energy: 2.342189260455095
Energy: 2.3591948678856016
Energy: 2.4090414037962007
Energy: 2.6393103859261857
Energy: 2.3384970566493113
Energy: 2.3525333640127064
Energy: 2.362475579033016
Energy: 2.321049485863241
Energy: 2.409041403798895
Energy: 2.6393103860742824
Energy: 2.3384970566493113
Energy: 2.3525333640127064
Energy: 2.4409166382996688
Energy: 2.3204503582763434
Energy: 2.297575519315995
Energy: 2.347927888788035
Energy: 2.3315386831668485
Energy: 2.553929686595835
Energy: 2.4409166382996688
Energy: 2.3204503582763434
Energy: 2.297575519291745
Energy: 2.3479278887907293
Energy: 2.453607004790799
Energy: 2.3184770947537827
Energy: 2.449701802103351
Energy: 2.3243422945650325
Energy: 2.393450281503383
Energy: 2.318196268636895
Energy: 2.453607004790799
Energy: 2.3184770947537827
Energy: 2.449701802103351
Energy: 2.3243422945650325
Energy: 2.3270575804911395
Energy: 2.554491663650996
Energy: 2.317431056993941
Energy: 2.3849415374010547
Energy: 2.3212488159852778
Energy: 2.303060318262454
Energy: 2.3270575804911395
Energy: 2.5647688181420767
Energy: 2.317431056991247
Energy: 2.3849415374010547
Energy: 2.3262835167998754
Energy: 2.4404319613635566
Energy: 2.3376292714074625
Energy: 2.323034777630233
Energy: 2.3258590980379217
Energy: 2.3987689773932055
Energy: 2.3262835167998754
Energy: 2.4404319613635566
Energy: 2.3376292714047677
Energy: 2.323034777630233
Energy: 2.744433828453555
Energy: 2.334563315974144
Energy: 2.3317234028374654
Energy: 2.3904975172344094
Energy: 2.372104513347303
Energy: 2.347874468879333
Energy: 2.744433828453555
Energy: 2.334563315974144
Energy: 2.3317234028374654
Energy: 2.3904975172317147
Energy: 2.430321883930947
Energy: 2.3325419094703146
Energy: 2.35411877799272
Energy: 2.337180079864628
Energy: 2.5084019653334515
Energy: 2.3447478333602003
Energy: 2.430321883933641
Energy: 2.3325419094703146
Energy: 2.35411877799272
Energy: 2.3371800798619327
Energy: 2.3302277689842623
Energy: 2.4227939007946087
Energy: 2.712589885178733
Energy: 2.3374158200684754
Energy: 2.3324415862601717
Energy: 2.333815015226714
Energy: 2.3302277689842623
Energy: 2.4227939007919628
Energy: 2.712589885181427
Energy: 2.33741582007117
Energy: 2.3349859726105393
Energy: 2.347339129171623
Energy: 2.3360809901694406
Energy: 2.3819550458631515
Energy: 2.343412703228751
Energy: 2.345444810632004
Energy: 2.334985972607845
Energy: 2.347339129171623
Energy: 2.3360809901694406
Energy: 2.3819550458631515
Energy: 2.3288791584990327
Energy: 2.4140305851228527
Energy: 2.330326146479012
Energy: 2.501170359184307
Energy: 2.3179060399212252
Energy: 2.3396185130769296
Energy: 2.3288791584963873
Energy: 2.4140305851228527
Energy: 2.330326146479012
Energy: 2.5011703591869523
Energy: 2.3134668908513167
Energy: 2.340259809917891
Energy: 2.601761381356497
Energy: 2.3124574687856025
Energy: 2.371770221265612
Energy: 2.3301540882713505
Energy: 2.313466890848622
Energy: 2.340259809917891
Energy: 2.601761381356497
Energy: 2.3124574687856025
Energy: 2.359273573924989
Energy: 2.318906558671851
Energy: 2.415162253296895
Energy: 2.3234525545282865
Energy: 2.302436025438804
Energy: 2.315293898720779
Energy: 2.359273573924989
Energy: 2.3189065586691573
Energy: 2.415162253296895
Energy: 2.3234525545309808
Energy: 2.327364279359209
Energy: 2.5469707509394337
Energy: 2.3209637511394035
Energy: 2.432347299579211
Energy: 2.3927829495624486
Energy: 2.3414584074298905
Energy: 2.327364279359209
Energy: 2.546970750942128
Energy: 2.3209637511367087
Energy: 2.432347299579211
Energy: 2.3490339951855965
Energy: 2.4637095784901355
Energy: 2.3397174882362384
Energy: 2.3263434885350525
Energy: 2.3293195919780585
Energy: 2.4501248418113852
Energy: 2.3490339951829022
Energy: 2.463709578495524
Energy: 2.3397174882362384
Energy: 2.3263434885350525
Energy: 2.323428953495817
Energy: 2.3422700470468074
Energy: 2.4114842275436796
Energy: 2.4151570888682214
Energy: 2.3219523891733935
Energy: 2.3608580264218317
Energy: 2.323428953495817
Energy: 2.3422700470468074
Energy: 2.4114842275409853
Energy: 2.4151570888682214
Energy: 2.34753153786344
Energy: 2.3336158383245245
Energy: 2.2955944325421416
Energy: 2.3501661474409468
Energy: 2.2868352462766843
Energy: 2.3420913014880167
Energy: 2.347531537860794
Energy: 2.3336158383245245
Energy: 2.295594432544836
Energy: 2.3501661474409468
Energy: 2.339889582560858
Energy: 2.362721283063342
Energy: 2.420520802800269
Energy: 2.327134455788574
Energy: 2.3746624270965135
Energy: 2.336727039906149
Energy: 2.339889582560858
Energy: 2.362721283063342
Energy: 2.420520802800269
Energy: 2.327134455788574
Energy: 2.3173588154761204
Energy: 2.332021646517052
Energy: 2.329081195716881
Energy: 2.372503306156151
Energy: 2.3207468947011964
Energy: 2.338731695706022
Energy: 2.317358815473426
Energy: 2.3320216465197463
Energy: 2.329081195716881
Energy: 2.372503305975672
Energy: 2.3238614083334936
Energy: 2.39202791465834
Energy: 2.3221322386648935
Energy: 2.4964474650995427
Energy: 2.3407843556334913
Energy: 2.3027133556864996
Energy: 2.3238614083307993
Energy: 2.39202791465834
Energy: 2.3221322386648935
Energy: 2.496447465096848
Energy: 2.3569508279647167
Energy: 2.3155621901746373
Energy: 2.3910915317227537
Energy: 2.311921953809893
Energy: 2.4321864690062194
Energy: 2.3232136518646285
Energy: 2.3569508279647167
Energy: 2.3155621901746373
Energy: 2.3910915317227537
Energy: 2.311921953809893
Energy: 2.3218046675644093
Energy: 2.344632371293613
Energy: 2.423712283971731
Energy: 2.3260327276787836
Energy: 2.3601199903305803
Energy: 2.338415300708788
Energy: 2.321804667561715
Energy: 2.3446323712882244
Energy: 2.423712283969037
Energy: 2.3260327276787836
Energy: 2.397843379889312
Energy: 2.3278968878858035
Energy: 2.344273037153507
Energy: 2.7449561573412082
Energy: 2.376923419506914
Energy: 2.3136972261248587
Energy: 2.397843379889312
Energy: 2.3278968878858035
Energy: 2.344273037156201
Energy: 2.7449561573412082
Energy: 2.3380403867917208
Energy: 2.3605037352581277
Energy: 2.323726296826382
Energy: 2.2925181433961734
Energy: 2.333147162399351
Energy: 2.4650391267156824
Energy: 2.3380403867917208
Energy: 2.3605037347867945
Energy: 2.323726296826382
Energy: 2.2925181433961734
Energy: 2.333810549051788
Energy: 2.3537800072301773
Energy: 2.327544613085846
Energy: 2.3333476021134243
Energy: 2.3309563520745806
Energy: 2.716982168114552
Energy: 2.3338105490544825
Energy: 2.3537800072328716
Energy: 2.327544613085846
Energy: 2.3333476021134243
Energy: 2.4629789855975965
Energy: 2.3380409836716556
Energy: 2.344355690512714
Energy: 2.335178432614644
Energy: 2.4142399028606736
Energy: 2.336040600960944
Energy: 2.4629789855975965
Energy: 2.3380409836716556
Energy: 2.344355690512714
Energy: 2.335178432614644
Energy: 2.3804450164341704
Energy: 2.3625116534409796
Energy: 2.3614743640243
Energy: 2.32800794198157
Energy: 2.4328950080459046
Energy: 2.3341970485843406
Energy: 2.3804450164341704
Energy: 2.3625116534382853
Energy: 2.361474364026994
Energy: 2.32800794198157
Energy: 2.323786447674196
Energy: 2.368234477459261
Energy: 2.329681739845201
Energy: 2.3592557450189555
Energy: 2.319311494788849
Energy: 2.5544820202486567
Energy: 2.3237864476768904
Energy: 2.368234477459261
Energy: 2.3296817398478953
Energy: 2.3592557450189555
Energy: 2.666152229028739
Energy: 2.306671193296441
Energy: 2.3500639931698273
Energy: 2.385400731143315
Energy: 2.3184011862723275
Energy: 2.4217260708108324
Energy: 2.666152229028739
Energy: 2.306671193296441
Energy: 2.350063993167133
Energy: 2.385400731143315
Energy: 2.3268784361381987
Energy: 2.4608163289902194
Energy: 2.3434604443238163
Energy: 2.3339609795348726
Energy: 2.5927024532863716
Energy: 2.3850348121872007
Energy: 2.326878436135504
Energy: 2.4608163289875247
Energy: 2.3434604443211215
Energy: 2.3339609795348726
Energy: 2.3370353829041908
Energy: 2.3322096574699556
Energy: 2.4812770387187055
Energy: 2.3296659668208566
Energy: 2.2994661636487566
Energy: 2.6748233668743584
Energy: 2.3370353829041908
Energy: 2.3322096574699556
Energy: 2.4717192126447562
Energy: 2.3296659668208566
Energy: 2.705226926037622
Energy: 2.3357304271515797
Energy: 2.3548880518363924
Energy: 2.3132884368157893
Energy: 2.345287908170093
Energy: 2.3718754157903623
Energy: 2.705226926037622
Energy: 2.3357304271515797
Energy: 2.3548880518363924
Energy: 2.3132884368157893
Energy: 2.3532571197465217
Energy: 2.4026697397804897
Energy: 2.344286994818568
Energy: 2.3654361841793023
Energy: 2.4554442669111083
Energy: 2.400507262819201
Energy: 2.3532571197465217
Energy: 2.4026697397804897
Energy: 2.344286994818568
Energy: 2.3654361841739138
Energy: 2.3469984717440946
Energy: 2.5304136531873302
Energy: 2.334117605455401
Energy: 2.3577005948621315
Energy: 2.324953754578057
Energy: 2.3641208013750328
Energy: 2.3469984717467893
Energy: 2.5304136531873302
Energy: 2.334117605455401
Energy: 2.3577005948621315
Energy: 2.7251886270788988
Energy: 2.324168180691679
Energy: 2.3462399696898175
Energy: 2.3116467517013164
Energy: 2.3353309315445236
Energy: 2.332491425772896
Energy: 2.699898161174102
Energy: 2.3241681806943735
Energy: 2.3462399696898175
Energy: 2.3116467517013164
Energy: 2.286156775976219
Energy: 2.335424828936535
Energy: 2.296174953083789
Energy: 2.3271485754131045
Energy: 2.344410773534187
Energy: 2.335412345242618
Energy: 2.286156775976219
Energy: 2.335424828936535
Energy: 2.296174953083789
Energy: 2.3271485754131045
Energy: 2.31983366954696
Energy: 2.3675670808793337
Energy: 2.588729675401745
Energy: 2.3572924510514226
Energy: 2.3404531283566308
Energy: 2.458183551703876
Energy: 2.31983366954696
Energy: 2.3675670808793337
Energy: 2.588729675401745
Energy: 2.3572924510514226
Energy: 2.321324469621608
Energy: 2.3539327566768162
Energy: 2.340302677895516
Energy: 2.362624024276445
Energy: 2.3492511189239544
Energy: 2.304519837991832
Energy: 2.321324469621608
Energy: 2.3539327566768162
Energy: 2.340302677895516
Energy: 2.362624024279091
Energy: 2.3781438498415586
Energy: 2.5219774126139614
Energy: 2.3194855408123547
Energy: 2.3366169206296115
Energy: 2.327041140701282
Energy: 2.3553328290838933
Energy: 2.3781438498415586
Energy: 2.5219774126139614
Energy: 2.319485540815049
Energy: 2.3366169206296115
Energy: 2.320264203080723
Energy: 2.336093126701547
Energy: 2.3995030652756153
Energy: 2.337101291798467
Energy: 2.3690365189182723
Energy: 2.3187732286462044
Energy: 2.3202642030780285
Energy: 2.336093126701547
Energy: 2.3995030652756153
Energy: 2.337101291798467
Energy: 2.412721442819688
Energy: 2.3301236338646585
Energy: 2.381165036482726
Energy: 2.335390274878169
Energy: 2.337571336399907
Energy: 2.331495229246946
Energy: 2.412721442822382
Energy: 2.3301236338646585
Energy: 2.3811650362268506
Energy: 2.3353902748808637
Energy: 2.3371461122368222
Energy: 2.537140051460509
Energy: 2.334446716956704
Energy: 2.3525334406465617
Energy: 2.3294144762484397
Energy: 2.355193391352218
Energy: 2.3371461122368222
Energy: 2.5371400514685924
Energy: 2.334446716956704
Energy: 2.3525334406465617
Energy: 2.3381525287367753
Energy: 2.294842847718072
Energy: 2.3347097282870695
Energy: 2.3318745988535086
Energy: 2.317552952913121
Energy: 2.3248074925149096
Energy: 2.3381525287367753
Energy: 2.2948428477531
Energy: 2.3347097282870695
Energy: 2.3318745988535086
Energy: 2.392007234928953
Energy: 2.3256154633757453
Energy: 2.4159636585026973
Energy: 2.4158325768141005
Energy: 2.348085320095193
Energy: 2.3260756459261405
Energy: 2.392007234931648
Energy: 2.3256154633757453
Energy: 2.4159636584973083
Energy: 2.415832576811406
Energy: 2.4481093153339115
Energy: 2.3409916978167864
Energy: 2.3272249092142068
Energy: 2.3250591040069795
Energy: 2.4117408918245085
Energy: 2.348511377074663
Energy: 2.4481093153339115
Energy: 2.3409916978167864
Energy: 2.3272249092142068
Energy: 2.3250591040096746
Energy: 2.362600917189423
Energy: 2.3802455947519516
Energy: 2.3808427434457036
Energy: 2.3101915825302344
Energy: 2.4712334105784937
Energy: 2.3145672999751663
Energy: 2.362600917189423
Energy: 2.3802455947519516
Energy: 2.380842743448398
Energy: 2.310191582527589
Energy: 2.324158408143529
Energy: 2.297633078185762
Energy: 2.3422224212195153
Energy: 2.3533788459039346
Energy: 2.318916185096799
Energy: 2.352053150753961
Energy: 2.3241584081462237
Energy: 2.297633078185762
Energy: 2.3422224212195153
Energy: 2.3533788459039346
Energy: 2.312762812793127
Energy: 2.374507876315599
Energy: 2.3189123320015805
Energy: 2.4541183785182086
Energy: 2.334666933637404
Energy: 2.33564329732342
Energy: 2.312762812793127
Energy: 2.374507876318294
Energy: 2.3189123320015805
Energy: 2.4541183786098197
Energy: 2.37152138674587
Energy: 2.3335160551885323
Energy: 2.4753276205313193
Energy: 2.326991409932721
Energy: 2.3604112340086845
Energy: 2.320112563281626
Energy: 2.37152138674587
Energy: 2.3335160551885323
Energy: 2.475327620528625
Energy: 2.326991409932721

minimum gb energy = 2.286156775976219 eV
minimum distance =  2.46349315318102 Angstroms
sigma value = 437


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

Energy: 2.3463579958674874
Energy: 2.3379229459455426
Energy: 2.202311035188284
Energy: 2.571805822459275
Energy: 2.2022847804078123
Energy: 2.338078204329172
Energy: 2.3463579958665055
Energy: 2.3379229459455426
Energy: 2.202311035188284
Energy: 2.5718058224602567
Energy: 2.271094587196676
Energy: 2.6864199562324047
Energy: 2.1948991647984246
Energy: 2.2929868535402984
Energy: 2.480381321170611
Energy: 2.297190549228147
Energy: 2.271094587196676
Energy: 2.6864199562343685
Energy: 2.194899164797443
Energy: 2.2929868535412803
Energy: 2.1492544381410106
Energy: 2.161488154651443
Energy: 2.2914806355260504
Energy: 2.162892353202255
Energy: 2.195175206269098
Energy: 2.310212231356131
Energy: 2.1492544381400296
Energy: 2.161488154652424
Energy: 2.291480635527032
Energy: 2.162892353202255
Energy: 2.7165612371802257
Energy: 2.1560355563920774
Energy: 2.1952454705692173
Energy: 2.2956792856810124
Energy: 2.195300201907198
Energy: 2.295533284572814
Energy: 2.716561237179244
Energy: 2.1560355563930593
Energy: 2.1952454705692173
Energy: 2.2956792856810124
Energy: 2.2538225976616393
Energy: 2.35733678270372
Energy: 2.2024358488432623
Energy: 2.2375727781022814
Energy: 2.2679717439283493
Energy: 2.148856888459935
Energy: 2.2538225976616393
Energy: 2.2736056118097836
Energy: 2.2024358488432623
Energy: 2.237572778103263
Energy: 2.253645513914408
Energy: 2.260893011950677
Energy: 2.229128893100664
Energy: 2.240887465124099
Energy: 2.2239214992308938
Energy: 2.2921973381405327
Energy: 2.253645513913427
Energy: 2.260893011950677
Energy: 2.229128893101645
Energy: 2.240887465124099
Energy: 2.485508996681899
Energy: 2.1624560509103445
Energy: 2.3874838273455787
Energy: 2.2885669100625754
Energy: 2.2023945575386787
Energy: 2.1617360390059974
Energy: 2.485508996684844
Energy: 2.1624560509103445
Energy: 2.387483827344597
Energy: 2.2885669100615935
Energy: 2.235547854939267
Energy: 2.1556281624111304
Energy: 2.194970930833838
Energy: 2.295436222858243
Energy: 2.196234727044181
Energy: 2.155860455070856
Energy: 2.235547854939267
Energy: 2.1556281624121123
Energy: 2.194970930832856
Energy: 2.295436222858243
Energy: 2.253806040886085
Energy: 2.2931637225196044
Energy: 2.5864720602798825
Energy: 2.217288508697446
Energy: 2.201986198892061
Energy: 2.6774368396551846
Energy: 2.253806040887067
Energy: 2.2931637225196044
Energy: 2.586472060280864
Energy: 2.217288508697446
Energy: 2.224853497765781
Energy: 2.1698713482974705
Energy: 2.2297073364103417
Energy: 2.253185905272659
Energy: 2.1950671668893134
Energy: 2.435825065265573
Energy: 2.224853497764799
Energy: 2.1698713482974705
Energy: 2.2297073364123055
Energy: 2.253185905272659
Energy: 2.4795200241173845
Energy: 2.301142282798693
Energy: 2.2024669127728096
Energy: 2.2918501636134017
Energy: 2.4097525577817955
Energy: 2.162081532227528
Energy: 2.4795200241173845
Energy: 2.301142282797711
Energy: 2.2024669127718277
Energy: 2.2918501636134017
Energy: 2.1439590443741556
Energy: 2.1555158410770394
Energy: 2.376495130651962
Energy: 2.1559327838783724
Energy: 2.195592074686629
Energy: 2.155439482306991
Energy: 2.1439590443771004
Energy: 2.1555158410770394
Energy: 2.376495130651962
Energy: 2.155932783879354
Energy: 2.4795186652301187
Energy: 2.1625912435838432
Energy: 2.409752557782777
Energy: 2.2918271109767234
Energy: 2.20351659397839
Energy: 2.3011841029415723
Energy: 2.4795186652291368
Energy: 2.1625912435838432
Energy: 2.409752557782777
Energy: 2.291827110975742
Energy: 2.224548913142629
Energy: 2.435805504306182
Energy: 2.1950673953322712
Energy: 2.253593863176632
Energy: 2.2288538266051114
Energy: 2.1701983718982296
Energy: 2.224548913143611
Energy: 2.435805504306182
Energy: 2.1950673953312894
Energy: 2.253593863177614

minimum gb energy = 2.1439590443741556 eV
minimum distance =  2.43941372263209 Angstroms
sigma value = 33