Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52732940018177
cohesive_energy=4.194297203762934
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017062035569367646
Energy: 1.8643979690048986
Energy: 0.017062035569367646
Energy: 1.8643979690052281
Energy: 0.017062035569367646
Energy: 1.8643979690045696
Energy: 1.86439796900424
Energy: 0.357332395273825
Energy: 1.86439796900424
Energy: 0.3573323952744838
Energy: 1.86439796900424
Energy: 1.5287960433994132
Energy: 0.017062035569367646
Energy: 1.8643979690045696
Energy: 0.017062035569367646
Energy: 1.8643979690045696
Energy: 0.017062035569367646
Energy: 1.86439796900424
Energy: 1.8643979690052281
Energy: 0.357332395273825
Energy: 1.8643979690048986
Energy: 0.357332395273825
Energy: 1.8643979690048986
Energy: 1.975721852633523
Energy: 0.017062035569697036
Energy: 1.8643979690045696
Energy: 0.017062035569367646
Energy: 1.8643979690045696
Energy: 0.017062035569367646
Energy: 1.8643979690045696
Energy: 1.86439796900424
Energy: 1.5287960434000352
Energy: 1.8643979690045696
Energy: 1.975721852634511
Energy: 1.86439796900424
Energy: 2.1986716691710297

minimum gb energy = 0.017062035569367646 eV
minimum distance =  2.2760244764258 Angstroms
sigma value = 1


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

Energy: 2.0988293447917212
Energy: 1.8855347136352796
Energy: 2.098829344794892
Energy: 1.8855347136305223
Energy: 2.0988293447925135
Energy: 1.885534713631315
Energy: 2.21894973054728
Energy: 1.7261740356261142
Energy: 2.218949730559966
Energy: 1.7261740356269069
Energy: 2.218949730552037
Energy: 1.7261740356261142
Energy: 2.039247395059621
Energy: 1.9811033668065292
Energy: 2.039247395061207
Energy: 1.9811033668081148
Energy: 2.0392473950604137
Energy: 1.981103366807322
Energy: 2.1268042719319906
Energy: 1.8564836082162623
Energy: 2.12680427193437
Energy: 1.8564836082154699
Energy: 2.1268042719438847
Energy: 1.8564836082162623
Energy: 1.961150334541288
Energy: 2.118909557668246
Energy: 1.9611503345397023
Energy: 2.118909557668246
Energy: 1.9611503345404953
Energy: 2.1189095576706247
Energy: 2.035198728616615
Energy: 1.8124602911276413
Energy: 2.0351987286126505
Energy: 1.81246029113002
Energy: 2.0351987286142363
Energy: 1.8124602911292271
Energy: 1.8370437992672333
Energy: 2.054639340478192
Energy: 1.8370437992664403
Energy: 2.054639340478192
Energy: 1.837043799275162
Energy: 2.054639340479778
Energy: 1.8373586578860046
Energy: 2.189603548147955
Energy: 1.837358657890762
Energy: 2.1896035481566765
Energy: 1.837358657889176
Energy: 2.189603548143198
Energy: 2.061246396121749
Energy: 2.0574355911175957
Energy: 2.061246396121749
Energy: 2.057435591115217
Energy: 2.061246396120164
Energy: 2.0574355911183884
Energy: 1.7160499908309685
Energy: 2.1777415810334455
Energy: 1.7160499908293827
Energy: 2.1777415810366167
Energy: 1.7160499908309685
Energy: 2.1777415810366167
Energy: 1.9779128093923688
Energy: 1.8227414179422654
Energy: 1.9779128093884042
Energy: 1.8227414179422654
Energy: 1.9779128093876115
Energy: 1.822741417943058
Energy: 1.6305136751793499
Energy: 2.102179193401219
Energy: 1.6305136751801426
Energy: 2.10217919339884
Energy: 1.6305136751801426
Energy: 2.10217919339884
Energy: 2.2262404563462224
Energy: 1.6088645259219834
Energy: 2.2262404563454297
Energy: 1.6088645259211902
Energy: 2.2262404563454297
Energy: 1.6088645259211902
Energy: 1.8366237250655133
Energy: 1.959831401975893
Energy: 1.8366237250639272
Energy: 1.95983140198065
Energy: 1.8366237250639272
Energy: 1.9598314019750998
Energy: 2.287714751341672
Energy: 1.7224954436390243
Energy: 2.287714751340879
Energy: 1.7224954436414033
Energy: 2.287714751340879
Energy: 1.7224954436414033
Energy: 2.2920821349593044
Energy: 2.033244998554119
Energy: 2.2920821349593044
Energy: 2.0332449985525334
Energy: 2.292082134958512
Energy: 2.033244998546983
Energy: 2.038836603800799
Energy: 1.9815362211996461
Energy: 2.038836603804764
Energy: 1.9815362212044036
Energy: 2.0388366038015926
Energy: 1.9815362212012317
Energy: 2.038557547329269
Energy: 1.858911419260508
Energy: 2.0385575473276836
Energy: 1.8589114192549578
Energy: 2.038557547329269
Energy: 1.8589114192565437
Energy: 1.8712725381766528
Energy: 1.8557387361598856
Energy: 1.871272538175067
Energy: 1.8557387361606787
Energy: 1.8712725381758597
Energy: 1.8557387361646431
Energy: 2.0081518146332353
Energy: 1.8126647201577706
Energy: 2.008151814630857
Energy: 1.812664720156185
Energy: 2.0081518146213417
Energy: 1.8126647201498416
Energy: 1.7431697453100732
Energy: 2.144061659809964
Energy: 1.7431697453108663
Energy: 2.1440616110581368
Energy: 1.7431697453108663
Energy: 2.1440615705739363
Energy: 2.0631455159177965
Energy: 2.0586971016349436
Energy: 2.0631455159233463
Energy: 2.058697101634151
Energy: 2.0631455159296896
Energy: 2.0586971016349436
Energy: 1.7246136982528364
Energy: 2.2195268832129655
Energy: 1.7246136982528364
Energy: 2.2195268832129655
Energy: 1.7246136982520432
Energy: 2.21952688321138

minimum gb energy = 1.6088645259211902 eV
minimum distance =  2.27727706395036 Angstroms
sigma value = 33


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

Energy: 2.322200730993944
Energy: 2.102896444667154
Energy: 2.322200730995748
Energy: 2.102896444663997
Energy: 2.3222007309858266
Energy: 2.1028964446558795
Energy: 2.2395866024022153
Energy: 1.9008233579310978
Energy: 2.239586602389629
Energy: 1.9008233579301954
Energy: 2.2395866023851188
Energy: 1.9008233579315486
Energy: 1.7961543556915776
Energy: 1.9463420279631458
Energy: 1.7961543556915776
Energy: 1.946342027961342
Energy: 1.7961543556978914
Energy: 1.9463420279640478
Energy: 2.105375998366719
Energy: 2.0692361873083307
Energy: 2.105375998363562
Energy: 2.069236187309232
Energy: 2.105375998366268
Energy: 2.0692361872641336
Energy: 2.0320686317647674
Energy: 1.974177622973891
Energy: 2.0320686317737873
Energy: 1.974177622973891
Energy: 2.0320686317625123
Energy: 1.9741776229711847
Energy: 1.7759497234413266
Energy: 1.796484978858089
Energy: 1.775949723007679
Energy: 1.796484978855834
Energy: 1.775949721350126
Energy: 1.796484978866207
Energy: 2.1145309852912644
Energy: 2.2283697236460767
Energy: 2.114530985033872
Energy: 2.22836972364743
Energy: 2.114530985039284
Energy: 2.2283697236478806
Energy: 1.660185153158663
Energy: 2.2342835089604964
Energy: 1.6601851531600162
Energy: 1.5504545638935097
Energy: 1.6601851531568592
Energy: 1.5507609733558378
Energy: 1.747090952141853
Energy: 1.8002187659590028
Energy: 1.7470909521423041
Energy: 1.800218765959454
Energy: 1.747090952141853
Energy: 1.800218765959905
Energy: 1.7571213800730412
Energy: 2.180540071835546
Energy: 1.757121380074353
Energy: 2.180540071830585
Energy: 1.7571213800761571
Energy: 2.1805400718229184
Energy: 1.481420105693219
Energy: 1.7585448232661716
Energy: 1.4852837670709162
Energy: 1.7585448232657208
Energy: 1.4955844970539705
Energy: 1.7585448232661716
Energy: 1.7980256227663316
Energy: 1.7913252058962605
Energy: 1.7980256227667828
Energy: 1.7913252058980236
Energy: 1.7980256227649787
Energy: 1.7913252058931037
Energy: 2.2133987232844197
Energy: 1.675192893176815
Energy: 2.2133987232857724
Energy: 1.675192893176815
Energy: 2.213398723288478
Energy: 1.675192893176815
Energy: 2.1420261418980164
Energy: 2.1398619321064785
Energy: 2.1420261418975652
Energy: 2.1398619321055765
Energy: 2.142026141898467
Energy: 2.1398619321064785
Energy: 2.07046373288272
Energy: 1.9003812476304633
Energy: 2.070463732883622
Energy: 1.9003812476399342
Energy: 2.070463732883622
Energy: 1.9003812476349735
Energy: 1.796379187038461
Energy: 1.9002355822240085
Energy: 1.7963791870434218
Energy: 1.9002355822226558
Energy: 1.7963791870434218
Energy: 1.9002355822217534
Energy: 2.106475561380113
Energy: 2.069284987631303
Energy: 2.1064755613796624
Energy: 2.0692849876412245
Energy: 2.1064755613751522
Energy: 2.069284987643479
Energy: 2.0277559837096097
Energy: 1.7968464296111437
Energy: 2.0277559749394913
Energy: 1.7968464296196716
Energy: 2.027755946808407
Energy: 1.7968464296147517
Energy: 1.7898453539105013
Energy: 1.8648744479268546
Energy: 1.7898453539105013
Energy: 1.8648744479209918
Energy: 1.7898453539105013
Energy: 1.8648744479273058
Energy: 2.121226861958257
Energy: 2.230292117453778
Energy: 2.121226861956453
Energy: 2.230292117455582
Energy: 2.121226861954198
Energy: 2.230292117451072
Energy: 1.6602631522420475
Energy: 2.2563941310679154
Energy: 1.6602631522461064
Energy: 2.2563941310737783
Energy: 1.6602631522429498
Energy: 2.2563941310597975
Energy: 1.946316781321637
Energy: 1.800653152516736
Energy: 1.9463167813252449
Energy: 1.8006531525162852
Energy: 1.9463167813297546
Energy: 1.800653152515834
Energy: 1.7578589252229937
Energy: 2.177585113480078
Energy: 1.757858925222092
Energy: 2.177585105713413
Energy: 1.7578589252229937
Energy: 2.1775851006934412
Energy: 2.1249879318652067
Energy: 2.035428898851465
Energy: 2.124987931855736
Energy: 2.035428898851465
Energy: 2.1249879318611478
Energy: 2.035428898851014
Energy: 1.7960234698408717
Energy: 1.7768186601020948
Energy: 1.7960234698408717
Energy: 1.7768186601093106
Energy: 1.796023469841774
Energy: 1.7768186601093106
Energy: 2.303913070287487
Energy: 2.0936822374937107
Energy: 2.303913070282526
Energy: 2.0936822374806323
Energy: 2.303913070296507
Energy: 2.0936822374869464
Energy: 2.304271479761132
Energy: 2.177960717482062
Energy: 2.3042714797575243
Energy: 2.177960717482513
Energy: 2.3042714797539166
Energy: 2.1779607174834146
Energy: 1.7961437223148469
Energy: 1.945472564658926
Energy: 1.7961437223148469
Energy: 1.9454725646562203
Energy: 1.796143722313043
Energy: 1.945472564658926
Energy: 2.177953826906713
Energy: 1.9009803606691416
Energy: 2.177953826899497
Energy: 1.9009803606682398
Energy: 2.1779538268931833
Energy: 1.9009803606686906
Energy: 1.7578938526833887
Energy: 2.208921593756173
Energy: 1.757893852684742
Energy: 2.2089215937485056
Energy: 1.7578938526842909
Energy: 2.208921593756624
Energy: 2.0279105044191432
Energy: 1.8000945977029332
Energy: 2.027910446283029
Energy: 1.8000945977024823
Energy: 2.0279103070290807
Energy: 1.8000945977024823
Energy: 1.6761655072307244
Energy: 2.2425015077819843
Energy: 1.6761655072316264
Energy: 2.2425015073703944
Energy: 1.6761655072307244
Energy: 2.2425015071729835
Energy: 2.118894963729134
Energy: 2.2299269480067325
Energy: 2.118894963733193
Energy: 2.2299269480049286
Energy: 2.1188949637300354
Energy: 2.2299269480040267
Energy: 1.902077672795657
Energy: 2.069885155592092
Energy: 1.9020776727961082
Energy: 2.0698851555817193
Energy: 1.9020776727970097
Energy: 2.069885155587131
Energy: 1.8999564877260193
Energy: 1.7965340109001648
Energy: 1.8999564877156467
Energy: 1.7965340108988122
Energy: 1.899956487720157
Energy: 1.796534010896557
Energy: 2.0674499402341597
Energy: 2.1042144463536867
Energy: 2.0674499402517483
Energy: 2.104214446356843
Energy: 2.067449939876237
Energy: 2.104214446355941
Energy: 1.796869792994816
Energy: 2.0324574780721316
Energy: 1.7968697929988746
Energy: 2.0324574780689746
Energy: 1.796869792997522
Energy: 2.032457478061308
Energy: 1.7968933945663896
Energy: 1.7871930644307508
Energy: 1.7968933945704484
Energy: 1.7871930644321037
Energy: 1.7968933945686443
Energy: 1.7871930644307508
Energy: 2.1419783761374513
Energy: 2.124783760445115
Energy: 2.141978376136549
Energy: 2.1247837604009594
Energy: 2.141978376136549
Energy: 2.12478376032384
Energy: 2.216174369752481
Energy: 1.6573699440759908
Energy: 2.216174331105373
Energy: 1.657369944076442
Energy: 2.2161740224287785
Energy: 1.657369944076442
Energy: 1.7980031642838836
Energy: 1.7481316620585312
Energy: 1.7980031642847858
Energy: 1.7481316620580805
Energy: 1.7980031642843348
Energy: 1.7481316620580805

minimum gb energy = 1.481420105693219 eV
minimum distance =  2.31840457147753 Angstroms
sigma value = 51


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

Energy: 2.0324702259503953
Energy: 2.044634073445543
Energy: 2.0324702259514407
Energy: 2.0446340734465878
Energy: 2.0324702259503953
Energy: 2.0446340734476327
Energy: 2.1370527711841207
Energy: 1.8341860396053695
Energy: 2.1370527711851652
Energy: 1.8341860396053695
Energy: 2.1370527711872556
Energy: 1.8341860396053695
Energy: 1.9656439722291967
Energy: 1.9803757622452463
Energy: 1.9656439722354666
Energy: 1.9803757622389768
Energy: 1.9656439722344214
Energy: 1.9803757622400218
Energy: 2.011246323981342
Energy: 1.6923442745779704
Energy: 2.0112463239802976
Energy: 1.6923442745779704
Energy: 2.0112463239802976
Energy: 1.6923442745779704
Energy: 2.0173807782039637
Energy: 1.9843424395120668
Energy: 2.017380778198739
Energy: 1.9843424395120668
Energy: 2.017380778197694
Energy: 1.9843424395183364
Energy: 2.038964263458785
Energy: 1.9843693881462146
Energy: 2.0389642634577405
Energy: 1.9843693881566165
Energy: 2.0389642634577405
Energy: 1.9843693881524846
Energy: 1.8500327365334235
Energy: 1.9846508500104976
Energy: 1.8500327365344686
Energy: 1.9846508500084075
Energy: 1.8500327365365583
Energy: 1.9846508500125875
Energy: 1.8467679906487968
Energy: 1.9852996248990034
Energy: 1.8467679906519314
Energy: 1.9852996248990034
Energy: 1.8467679906529764
Energy: 1.9852996248969133
Energy: 2.2568789873973194
Energy: 1.686929300782047
Energy: 2.2568789873983643
Energy: 1.686929300782047
Energy: 2.256878987395229
Energy: 1.686929300782047
Energy: 1.721365976704151
Energy: 2.227236012508135
Energy: 1.721365976706241
Energy: 2.2272360125123147
Energy: 1.721365976704151
Energy: 2.2272360125133597
Energy: 2.052621098191813
Energy: 1.7031709300188886
Energy: 2.0526200843933107
Energy: 1.7031709300188886
Energy: 2.0522804202601055
Energy: 1.7031709300199338
Energy: 2.0337164020985603
Energy: 2.045063800517966
Energy: 2.0337164020975154
Energy: 2.045063800520056
Energy: 2.03371640209647
Energy: 2.045063800514831
Energy: 2.1351072360362235
Energy: 1.836007712152607
Energy: 2.135107214814587
Energy: 1.836007712150517
Energy: 2.1351071612905583
Energy: 1.836007712149472
Energy: 1.9654277174045007
Energy: 1.8734305206697093
Energy: 1.9654277174065908
Energy: 1.873430520670754
Energy: 1.9654277174034558
Energy: 1.8734305206613493
Energy: 2.0072005807685733
Energy: 2.0225275919207837
Energy: 2.0072005807696183
Energy: 2.022527591921828
Energy: 2.0072005807696183
Energy: 2.022527591921828
Energy: 2.0159329769443852
Energy: 1.9843648415629624
Energy: 2.015932976946427
Energy: 1.984364841567142
Energy: 2.0159329769506074
Energy: 1.9843648415734116
Energy: 2.017512796400345
Energy: 2.1584493764252843
Energy: 2.0175127963993
Energy: 2.158449376430461
Energy: 2.0175127964034796
Energy: 2.158449376430461
Energy: 1.966635904144027
Energy: 1.987892077920798
Energy: 1.9666359041482067
Energy: 1.987892077921843
Energy: 1.966635904144027
Energy: 1.987892077921843

minimum gb energy = 1.686929300782047 eV
minimum distance =  2.18875018743495 Angstroms
sigma value = 19


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

Energy: 1.6443513422741565
Energy: 1.6682242546515345
Energy: 1.644351342272917
Energy: 1.6682242546515345
Energy: 1.6443513422735367
Energy: 1.6682242546509147
Energy: 1.8192852987862862
Energy: 2.0334867043674336
Energy: 1.8192852987862862
Energy: 2.033486704366194
Energy: 1.8192852987856662
Energy: 2.033486704364955
Energy: 1.5836078665471929
Energy: 2.029500446665608
Energy: 1.5836078665484326
Energy: 2.0295004466662276
Energy: 1.5836078665478126
Energy: 2.0295004466643687
Energy: 1.7178456558409168
Energy: 1.58392249601402
Energy: 1.7178456558384374
Energy: 1.58392249601402
Energy: 1.7178456558378172
Energy: 1.58392249601402
Energy: 1.6304262755542345
Energy: 1.639659895332816
Energy: 1.630426275554854
Energy: 1.6396598953321964
Energy: 1.6304262755542345
Energy: 1.6396598953321964
Energy: 1.6302844649546302
Energy: 1.639674513682102
Energy: 1.6302844649564894
Energy: 1.639674513682102
Energy: 1.6302844649558694
Energy: 1.639674513682102
Energy: 1.7177363695910606
Energy: 1.5839308481304761
Energy: 1.7177363695916805
Energy: 1.5839308481304761
Energy: 1.7177363695910606
Energy: 1.5839308481304761
Energy: 1.5836002421094093
Energy: 2.0294513725594445
Energy: 1.5836002421087896
Energy: 2.0294513725625154
Energy: 1.5836002421087896
Energy: 2.029451372560656
Energy: 1.819138426037891
Energy: 2.0335389141518974
Energy: 1.8191384260360315
Energy: 2.0335389141500375
Energy: 1.819138426037891
Energy: 2.0335389141500375
Energy: 1.6443513422747762
Energy: 1.6682242546509147
Energy: 1.6443513422747762
Energy: 1.6682242546509147
Energy: 1.6443513422741565
Energy: 1.6682242546509147
Energy: 1.8192852987850463
Energy: 2.033486704368054
Energy: 1.8192852987862862
Energy: 2.033486704364955
Energy: 1.8192852987856662
Energy: 2.033486704365574
Energy: 1.583607866546573
Energy: 2.0295004466643687
Energy: 1.583607866546573
Energy: 2.029500446661889
Energy: 1.5836078665478126
Energy: 2.0295004466649877
Energy: 1.7178456558427757
Energy: 1.5839224960146396
Energy: 1.7178456558409168
Energy: 1.5839224960152596
Energy: 1.7178456558402966
Energy: 1.5839224960152596
Energy: 1.630426275555474
Energy: 1.639659895332816
Energy: 1.630426275554854
Energy: 1.6396598953309565
Energy: 1.6304262755542345
Energy: 1.6396598953284771
Energy: 1.6302844649558694
Energy: 1.6396745136814823
Energy: 1.6302844649558694
Energy: 1.639674513682102
Energy: 1.6302844649558694
Energy: 1.6396745136827222
Energy: 1.7177363695972592
Energy: 1.5839308481304761
Energy: 1.7177363695898211
Energy: 1.5839308481298564
Energy: 1.7177363695892012
Energy: 1.5839308481292365
Energy: 1.5836002421094093
Energy: 2.029451372561276
Energy: 1.5836002421087896
Energy: 2.029451372560036
Energy: 1.5836002421094093
Energy: 2.0294513725575847
Energy: 1.8191384260384826
Energy: 2.033538914152517
Energy: 1.8191384260384826
Energy: 2.033538914151277
Energy: 1.8191384260391028
Energy: 2.0335389141494176
Energy: 1.6443513422747762
Energy: 1.6682242546509147
Energy: 1.6443513422741565
Energy: 1.6682242546509147
Energy: 1.6443513422747762
Energy: 1.6682242546515345
Energy: 1.8192852987844266
Energy: 2.033486704368054
Energy: 1.8192852987862862
Energy: 2.033486704365574
Energy: 1.8192852987850463
Energy: 2.033486704364955
Energy: 1.5836078665471929
Energy: 2.0295004466637487
Energy: 1.583607866546573
Energy: 2.029500446665608
Energy: 1.5836078665471929
Energy: 2.0295004466649877
Energy: 1.7178456558396766
Energy: 1.5839224960152596
Energy: 1.7178456558409168
Energy: 1.5839224960146396
Energy: 1.7178456558322388
Energy: 1.5839224960158793
Energy: 1.630426275554854
Energy: 1.6396598953315762
Energy: 1.6304262755542345
Energy: 1.6396598953303367
Energy: 1.630426275555474
Energy: 1.6396598953315762
Energy: 1.6302844649564894
Energy: 1.639674513682102
Energy: 1.6302844649558694
Energy: 1.639674513682102
Energy: 1.6302844649558694
Energy: 1.639674513682102
Energy: 1.7177363695898211
Energy: 1.5839308481298564
Energy: 1.7177363695947796
Energy: 1.5839308481298564
Energy: 1.71773636959416
Energy: 1.5839308481298564
Energy: 1.5836002421094093
Energy: 2.029451372561276
Energy: 1.5836002421087896
Energy: 2.0294513725594445
Energy: 1.5836002421094093
Energy: 2.0294513725625154
Energy: 1.8191384260397225
Energy: 2.0335389141518974
Energy: 1.8191384260384826
Energy: 2.0335389141500375
Energy: 1.819138426034792
Energy: 2.0335389141506575
Energy: 1.6443513422747762
Energy: 1.6682242546521542
Energy: 1.6443513422747762
Energy: 1.668224254650295
Energy: 1.6443513422735367
Energy: 1.6682242546515345
Energy: 1.8192852987856662
Energy: 2.0334867043674336
Energy: 1.8192852987856662
Energy: 2.033486704366194
Energy: 1.8192852987850463
Energy: 2.033486704366814
Energy: 1.5836078665478126
Energy: 2.0295004466643687
Energy: 1.5836078665471929
Energy: 2.0295004466662276
Energy: 1.583607866546573
Energy: 2.0295004466643687

minimum gb energy = 1.5836002421087896 eV
minimum distance =  2.21639952498329 Angstroms
sigma value = 27


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

Energy: 1.579982629235106
Energy: 1.5471714462844
Energy: 1.5799826292366244
Energy: 1.5471714462844
Energy: 1.579982629235106
Energy: 1.5471714462844
Energy: 1.7080322105412782
Energy: 1.593977456227719
Energy: 1.7080322105427967
Energy: 1.5939774562307558
Energy: 1.7080322105382417
Energy: 1.593977456227719
Energy: 1.6074001439364431
Energy: 1.7424111160357618
Energy: 1.607400143947071
Energy: 1.7424111160357618
Energy: 1.6074001439501073
Energy: 1.7424111160357618
Energy: 1.7181734177743408
Energy: 1.5060531315096073
Energy: 1.718173417769786
Energy: 1.5060531315080887
Energy: 1.7181734177682677
Energy: 1.5060531315080887
Energy: 1.90855459135573
Energy: 1.5061779564896607
Energy: 1.9083751954324446
Energy: 1.5061779564926974
Energy: 1.9082981184185157
Energy: 1.5061779564942155
Energy: 1.8624300025623506
Energy: 1.921939945983994
Energy: 1.8624300025608325
Energy: 1.921939945983994
Energy: 1.8624300025562777
Energy: 1.9219399459809576
Energy: 1.7498799980176603
Energy: 1.5972012272214124
Energy: 1.7498799980191788
Energy: 1.5972012272214124
Energy: 1.7498799980176603
Energy: 1.5972012272214124
Energy: 1.5683347263485887
Energy: 1.5475911595436973
Energy: 1.5683347263470704
Energy: 1.547591159545181
Energy: 1.5683347263470704
Energy: 1.5475911595436973
Energy: 1.769247711500289
Energy: 1.6069305603244037
Energy: 1.7692476028867274
Energy: 1.6069305601165056
Energy: 1.7692472906041656
Energy: 1.6069305604700876
Energy: 1.7197077030190366
Energy: 1.8550556448785265
Energy: 1.7197077030175183
Energy: 1.8550556448830813
Energy: 1.7197077030175183
Energy: 1.8550556448815632
Energy: 1.5897221803923103
Energy: 1.5086950481937191
Energy: 1.5897221803923103
Energy: 1.5086950481937191
Energy: 1.5897221803923103
Energy: 1.5086950481937191
Energy: 1.9123700209834498
Energy: 1.7698426226209119
Energy: 1.4569974740678062
Energy: 1.7698426226178754
Energy: 1.4557608768069032
Energy: 1.7698426226163573

minimum gb energy = 1.4557608768069032 eV
minimum distance =  2.18826563188682 Angstroms
sigma value = 9


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

Energy: 1.6216304193723738
Energy: 1.436391182327341
Energy: 1.6216304193745066
Energy: 1.436391182327341
Energy: 1.6216304193732267
Energy: 1.4363911823281945
Energy: 1.4831585567220835
Energy: 1.4323805997771333
Energy: 1.4831585565106093
Energy: 1.4323805997767067
Energy: 1.4831585567293357
Energy: 1.4323805997767067
Energy: 1.3740245266954478
Energy: 1.5152357138836945
Energy: 1.3740245266950213
Energy: 1.5152357138828412
Energy: 1.3740245266945945
Energy: 1.5152357138824535
Energy: 1.4138317161816913
Energy: 1.3520804739400478
Energy: 1.4138317161825444
Energy: 1.3520804739404741
Energy: 1.4138317161821177
Energy: 1.352080473940901
Energy: 1.4772313581023953
Energy: 1.4365092238865143
Energy: 1.477231358100262
Energy: 1.436509223886941
Energy: 1.4772313581028218
Energy: 1.4365092238865143
Energy: 1.5476400843895155
Energy: 1.517549266187789
Energy: 1.5476400843890887
Energy: 1.5175492661975618
Energy: 1.5476400843865294
Energy: 1.5175492661932959
Energy: 1.4697845661451188
Energy: 1.5386933103241198
Energy: 1.4697845661451188
Energy: 1.5386933103317983
Energy: 1.4697845661459719
Energy: 1.538693310334358
Energy: 1.3342311883769038
Energy: 1.4830642095508824
Energy: 1.3342311883764773
Energy: 1.4830642095508824
Energy: 1.3342311883764773
Energy: 1.4830642095500293
Energy: 1.4925457912547868
Energy: 1.4375923903948742
Energy: 1.4925457912530804
Energy: 1.4375923903953007
Energy: 1.492545791248388
Energy: 1.4375923903953007
Energy: 1.4684379201597855
Energy: 1.6036393033588008
Energy: 1.4684379201606388
Energy: 1.603639157591526
Energy: 1.4684379201606388
Energy: 1.6036390526917594
Energy: 1.4089892142828944
Energy: 1.3615424728819907
Energy: 1.4089892142850273
Energy: 1.3615424728819907
Energy: 1.4089892142837475
Energy: 1.3615424728828438
Energy: 1.4086032609872827
Energy: 1.5194869637747235
Energy: 1.4086032609894157
Energy: 1.5194869637708839
Energy: 1.4086032609889894
Energy: 1.5194869637627786
Energy: 1.50042694228763
Energy: 1.5059939273604146
Energy: 1.5004269422914696
Energy: 1.5059939273608411
Energy: 1.5004269422543945
Energy: 1.5059939273595615
Energy: 1.6116645975768598
Energy: 1.4173793053295372
Energy: 1.6116645975802726
Energy: 1.4173793053316701
Energy: 1.6116645975853918
Energy: 1.4173793053303902
Energy: 1.3710936797881033
Energy: 1.463992066467539
Energy: 1.3710936797834494
Energy: 1.463992066474791
Energy: 1.371093679790236
Energy: 1.4639920664760708
Energy: 1.3841188895180945
Energy: 1.53466508703053
Energy: 1.3841188895189478
Energy: 1.5346650870386356
Energy: 1.3841188895129752
Energy: 1.5346650870352228
Energy: 1.3728660744712562
Energy: 1.353515997968563
Energy: 1.3730703443829921
Energy: 1.3535159979719755
Energy: 1.3728983640268055
Energy: 1.353515997971549
Energy: 1.3931963861904524
Energy: 1.4521676762840434
Energy: 1.3931963861891725
Energy: 1.4521676762836169
Energy: 1.3931963861895993
Energy: 1.4521676762840434
Energy: 1.3274862019905018
Energy: 1.691372608816345
Energy: 1.3274862019926346
Energy: 1.6913726142525871
Energy: 1.3274862019909281
Energy: 1.6913726062460002
Energy: 1.6232237250370658
Energy: 1.3782237631319028
Energy: 1.6232237250328
Energy: 1.3782237631323295
Energy: 1.62322372503408
Energy: 1.4694195911812102
Energy: 1.3273736535318732
Energy: 1.6912021309645198
Energy: 1.3273736535297789
Energy: 1.6912021172496403
Energy: 1.327373653533153
Energy: 1.6912020973484885
Energy: 1.3931884081664774
Energy: 1.4521782564405847
Energy: 1.3931884081651975
Energy: 1.4521782564410113
Energy: 1.3931884081651975
Energy: 1.4521782564410113
Energy: 1.3728385003728731
Energy: 1.3534581960344303
Energy: 1.3728123930947318
Energy: 1.3534581960357102
Energy: 1.3728018073053663
Energy: 1.3534581960391228
Energy: 1.383841688039017
Energy: 1.5945882315429285
Energy: 1.383841688046269
Energy: 1.594588231550607
Energy: 1.383841688044136
Energy: 1.5945882315403688
Energy: 1.3724796783568352
Energy: 1.4657825515712724
Energy: 1.372479678358115
Energy: 1.4657825515593665
Energy: 1.3724796783568352
Energy: 1.465782551556807
Energy: 1.611738363621375
Energy: 1.5142999421857661
Energy: 1.6117383636115632
Energy: 1.514299942187046
Energy: 1.611738363617962
Energy: 1.5142999421853398
Energy: 1.5004914029648813
Energy: 1.5062853785659849
Energy: 1.5004914029235403
Energy: 1.5062853785706773
Energy: 1.5004914028923988
Energy: 1.5062853785651318
Energy: 1.408710096526925
Energy: 1.5003569860825925
Energy: 1.408710096531191
Energy: 1.500356986093257
Energy: 1.4087100965277783
Energy: 1.500356986087285
Energy: 1.4090176696093875
Energy: 1.3612921777419313
Energy: 1.4090176696026007
Energy: 1.3612921777419313
Energy: 1.409017669604695
Energy: 1.3612921777393718
Energy: 1.4687962028012702
Energy: 1.4376451080492447
Energy: 1.4687962028008439
Energy: 1.4376451080454054
Energy: 1.4687962028012702
Energy: 1.437645108068015
Energy: 1.4928623264289627
Energy: 1.4376929103451364
Energy: 1.4928623264246967
Energy: 1.4376929103455627
Energy: 1.49286232642555
Energy: 1.4376929103455627
Energy: 1.3342061853300713
Energy: 1.4831739718905348
Energy: 1.3342061853304978
Energy: 1.4831739718909613
Energy: 1.3342061853304978
Energy: 1.4831739718905348
Energy: 1.4699483677960101
Energy: 1.5405943488571638
Energy: 1.4699483678215668
Energy: 1.5405943488631362
Energy: 1.4699483678066363
Energy: 1.5405943488639895
Energy: 1.5474312167304145
Energy: 1.5176982496423361
Energy: 1.5474312167346804
Energy: 1.5176982496253113
Energy: 1.5474312167261486
Energy: 1.5176982496227516
Energy: 1.4771734796862468
Energy: 1.4367458825866926
Energy: 1.47717347968582
Energy: 1.4367458825854127
Energy: 1.47717347968582
Energy: 1.4367458825862658
Energy: 1.4137343692651998
Energy: 1.3521519211824071
Energy: 1.4137343692651998
Energy: 1.352151921183687
Energy: 1.4137343692660531
Energy: 1.3521519211832602
Energy: 1.3737814029724271
Energy: 1.515131327938134
Energy: 1.3737814029749869
Energy: 1.5151313279377072
Energy: 1.3737814029749869
Energy: 1.5151313279368541
Energy: 1.4831754435143796
Energy: 1.4324583494137784
Energy: 1.483175443516086
Energy: 1.4324583494150582
Energy: 1.4831754435182187
Energy: 1.4324583494137784
Energy: 1.6216304193766395
Energy: 1.4363911823243551
Energy: 1.621630419377066
Energy: 1.4363911823260616
Energy: 1.62163041937536
Energy: 1.4363911823243551
Energy: 1.4831585568141892
Energy: 1.41689484128835
Energy: 1.4831585567958456
Energy: 1.41689484128835
Energy: 1.483158556829973
Energy: 1.41689484128835
Energy: 1.3740245266971542
Energy: 1.515235713888387
Energy: 1.3740245266967277
Energy: 1.5152357138866808
Energy: 1.3740245266971542
Energy: 1.5152357138875339
Energy: 1.4138317161859573
Energy: 1.3520804739400478
Energy: 1.4138317161833975
Energy: 1.3520804739400478
Energy: 1.4138317161846774
Energy: 1.3520804739404741
Energy: 1.4772313580994088
Energy: 1.4365092238903536
Energy: 1.4772313580989824
Energy: 1.4365092238899269
Energy: 1.4772313581015417
Energy: 1.4365092238907802

minimum gb energy = 1.3273736535297789 eV
minimum distance =  2.29574334013234 Angstroms
sigma value = 57


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

Energy: 2.491721628001015
Energy: 1.3652848816121146
Energy: 2.1023850829137523
Energy: 1.3652848816121146
Energy: 2.491721627999073
Energy: 1.3652848816082304
Energy: 1.2116231162784228
Energy: 1.2487452219609478
Energy: 1.2116231162774518
Energy: 1.2487452219609478
Energy: 1.2116231162774518
Energy: 1.2487452219580788
Energy: 1.454289720937115
Energy: 1.2320944125899123
Energy: 1.454289720936144
Energy: 1.2320944125899123
Energy: 1.454289720937115
Energy: 1.232094412587043
Energy: 1.4791488676898388
Energy: 1.7796887365251965
Energy: 1.4791488676898388
Energy: 1.7796887365193699
Energy: 1.4791488676898388
Energy: 1.7796887365193699
Energy: 0.8581806444477738
Energy: 1.2133462332898775
Energy: 0.8581806444477738
Energy: 1.2133462332908487
Energy: 0.8581806444477738
Energy: 1.213346233292791
Energy: 1.549785871602687
Energy: 1.450814922931985
Energy: 1.5511019310611793
Energy: 1.450814922931985
Energy: 1.5497858716056
Energy: 1.450814922931985
Energy: 1.550010642617603
Energy: 1.3938476918231852
Energy: 1.5511047672440437
Energy: 1.393847691824112
Energy: 1.5500106426146898
Energy: 1.3938476918299387
Energy: 1.2139505197163074
Energy: 0.8607974018937227
Energy: 1.2139505197201919
Energy: 0.8607974018927514
Energy: 1.2139505197163074
Energy: 0.8607974018937227
Energy: 1.6670331967365548
Energy: 1.41805430917493
Energy: 1.3455708631631524
Energy: 1.4180543091797855
Energy: 1.6670331967365548
Energy: 1.41805430917493
Energy: 1.1842410657711213
Energy: 1.4921754947566317
Energy: 1.1846707195754662
Energy: 1.492175494799315
Energy: 1.1842410657711213
Energy: 1.4921754946556833
Energy: 0.8574897693012952
Energy: 1.3933158682111733
Energy: 0.8574897693032373
Energy: 1.3933158682121443
Energy: 0.8574897693022662
Energy: 1.3933158682053466
Energy: 2.491721628001015
Energy: 1.365284881615999
Energy: 2.1023850829205495
Energy: 1.365284881615999
Energy: 2.491721628003928
Energy: 1.365284881615999
Energy: 1.2116231162745383
Energy: 1.248745221960021
Energy: 1.2116231162735673
Energy: 1.2487452219590498
Energy: 1.2116231162755096
Energy: 1.2487452219580788
Energy: 1.454289720937115
Energy: 1.23209441258413
Energy: 1.454289720935173
Energy: 1.232094412583159
Energy: 1.454289720936144
Energy: 1.232094412586072
Energy: 1.4791488676878966
Energy: 1.7796887365251965
Energy: 1.4791488676888678
Energy: 1.7796887365213123
Energy: 1.4791488676869256
Energy: 1.7796887365174276
Energy: 0.8581806444419472
Energy: 1.2133462332869642
Energy: 0.8581806444438893
Energy: 1.2133462332859932
Energy: 0.8581806444419472
Energy: 1.2133462332859932
Energy: 1.5497858715997737
Energy: 1.4508149229300429
Energy: 1.5511019310572949
Energy: 1.4508149229300429
Energy: 1.549785871603658
Energy: 1.4508149229281009
Energy: 1.550010642615661
Energy: 1.3938476918270255
Energy: 1.5511047672411304
Energy: 1.3938476918260543
Energy: 1.5500106426137188
Energy: 1.3938476918299387
Energy: 1.2139505197104812
Energy: 0.8607974018946938
Energy: 1.2139505197143652
Energy: 0.8607974018937227
Energy: 1.21395051970951
Energy: 0.8607974018937227

minimum gb energy = 0.8574897693012952 eV
minimum distance =  2.36880098029026 Angstroms
sigma value = 11


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

Energy: 1.1833148872588612
Energy: 1.123167543074544
Energy: 1.1833148872581498
Energy: 1.1231675430809462
Energy: 1.1833148872588612
Energy: 1.123167543078101
Energy: 1.3241033085965292
Energy: 1.3006133358080756
Energy: 1.3241033085851481
Energy: 1.3006133358116325
Energy: 1.3241033085858593
Energy: 1.300613335808787
Energy: 1.3240968884965405
Energy: 1.684384785484679
Energy: 1.3240968884951176
Energy: 1.6843847854832563
Energy: 1.3240968884958293
Energy: 1.6843847854832563
Energy: 1.6249935215056173
Energy: 1.1187302149125475
Energy: 1.6249935215127307
Energy: 1.1187302149132587
Energy: 1.6249935215120195
Energy: 1.1187302149132587
Energy: 1.5322131024959482
Energy: 1.0859994819902528
Energy: 1.5322131024980823
Energy: 1.0859994819902528
Energy: 1.5322131024980823
Energy: 1.0859994819902528
Energy: 1.1395045989246622
Energy: 1.1054336068524762
Energy: 1.1395045989225283
Energy: 1.1054336068517645
Energy: 1.139504598926085
Energy: 1.1054336068538986
Energy: 1.0834881449021048
Energy: 1.1551682654806268
Energy: 1.0834881448992593
Energy: 1.1551682654777815
Energy: 1.0834881449013933
Energy: 1.1551682654792044
Energy: 1.3457285988340897
Energy: 1.0433083560740066
Energy: 1.3457285988333785
Energy: 1.0433083560732952
Energy: 1.3457285988355123
Energy: 1.0433083560747176
Energy: 1.3497572374236417
Energy: 1.0505531816081164
Energy: 1.349757237424353
Energy: 1.0505531816081164
Energy: 1.349757237426487
Energy: 1.0505531816081164
Energy: 1.0566552109536447
Energy: 1.608511718191812
Energy: 1.0566552109536447
Energy: 1.6085117182024824
Energy: 1.0566552109536447
Energy: 1.608511718189678
Energy: 1.1550080781008596
Energy: 1.5086695136448898
Energy: 1.155008078104416
Energy: 1.508669513642756
Energy: 1.1550080780973029
Energy: 1.5086695136441783
Energy: 1.3218343967804094
Energy: 1.084049722061128
Energy: 1.3218343967796977
Energy: 1.084049722062551
Energy: 1.321834396776917
Energy: 1.0840497220618395
Energy: 1.5781625749076187
Energy: 1.1274132317490768
Energy: 1.5781625749076187
Energy: 1.1274132317483652
Energy: 1.5781625749076187
Energy: 1.1274132317483652
Energy: 1.5858781843625982
Energy: 1.6531582406938394
Energy: 1.5858781843633096
Energy: 1.6531582406931282
Energy: 1.5858781843625982
Energy: 1.653158240684592
Energy: 1.3227773170521195
Energy: 1.0856013853426263
Energy: 1.3227773177261435
Energy: 1.0856013853404922
Energy: 1.3227773278119923
Energy: 1.0856013853447604
Energy: 1.1356452674605164
Energy: 1.5631198179854606
Energy: 1.1356452674605164
Energy: 1.5631198179861718
Energy: 1.1356452674605164
Energy: 1.5631198179861718
Energy: 1.2552464590107943
Energy: 1.3046746474092716
Energy: 1.2552464590086603
Energy: 1.3046746474085602
Energy: 1.2552464590122168
Energy: 1.3046746474099828
Energy: 1.623735208197976
Energy: 1.205189774411748
Energy: 1.6237352081929965
Energy: 1.2051897744188613
Energy: 1.6237352081937078
Energy: 1.2051897744231292
Energy: 1.4013888297681367
Energy: 1.1114309149752788
Energy: 1.401388829776673
Energy: 1.111430914973856
Energy: 1.4013888297688484
Energy: 1.1114309149745674
Energy: 1.3207685848770627
Energy: 1.1269131474521599
Energy: 1.3207685848784856
Energy: 1.126913147452871
Energy: 1.3207685848742177
Energy: 1.1269131474550051
Energy: 1.0605774091923004
Energy: 1.109921730504579
Energy: 1.0605774091930118
Energy: 1.109921730504579
Energy: 1.0605774091930118
Energy: 1.109921730506713
Energy: 1.1146313702574222
Energy: 1.1549995895106808
Energy: 1.1146313702531538
Energy: 1.154999589509258
Energy: 1.1146313702574222
Energy: 1.1549995895121035
Energy: 1.3306808576451055
Energy: 1.3380448431615606
Energy: 1.3306808576451055
Energy: 1.3380448431615606
Energy: 1.3306808576479507
Energy: 1.3380448431622718
Energy: 1.1442360471904056
Energy: 1.309205530457376
Energy: 1.1442360471925395
Energy: 1.3092055304580874
Energy: 1.144236047188983
Energy: 1.309205530457376
Energy: 1.0604891648373538
Energy: 1.6059616857546273
Energy: 1.0604891648401344
Energy: 1.6059617004713425
Energy: 1.0604891648387118
Energy: 1.6059617142487703
Energy: 2.1365002297810203
Energy: 1.488031290025276
Energy: 2.1365002297810203
Energy: 1.488031290024565
Energy: 2.1365002297781746
Energy: 1.4880312900266988

minimum gb energy = 1.0433083560732952 eV
minimum distance =  2.24561614413288 Angstroms
sigma value = 41


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

Energy: 1.3330820725234334
Energy: 1.207428231476354
Energy: 1.333082072522873
Energy: 1.207428231476354
Energy: 1.3330820725239942
Energy: 1.2074282314757936
Energy: 1.2527934404206245
Energy: 1.1856392045085355
Energy: 1.252793440421185
Energy: 1.185639204507975
Energy: 1.2527934404206245
Energy: 1.1856392045090964
Energy: 1.4892115289435046
Energy: 1.3531945632586504
Energy: 1.4892115289412622
Energy: 1.3531945632631355
Energy: 1.4892115289435046
Energy: 1.353194563260893
Energy: 1.236402990576189
Energy: 1.1655673989067192
Energy: 1.2364029905784315
Energy: 1.1655673989072801
Energy: 1.2364029905767497
Energy: 1.1655673989072801
Energy: 1.1722912376651566
Energy: 1.2499103225639534
Energy: 1.172291237664596
Energy: 1.2499103225633927
Energy: 1.1722912376634749
Energy: 1.2499103225639534
Energy: 1.2305624622922133
Energy: 1.2022922082010417
Energy: 1.2305624622950166
Energy: 1.2022922081993594
Energy: 1.2305624622972593
Energy: 1.2022922081976775
Energy: 1.167933594275001
Energy: 1.2521943622433298
Energy: 1.1679335942761224
Energy: 1.252195552629561
Energy: 1.1679335942755618
Energy: 1.2521958243056681
Energy: 1.1286163401387117
Energy: 1.164641785454946
Energy: 1.128616340140394
Energy: 1.164641785455507
Energy: 1.1286163401392726
Energy: 1.164641785455507
Energy: 1.1878259243066887
Energy: 1.2439067947563973
Energy: 1.1878259243072493
Energy: 1.2439067947563973
Energy: 1.1878259243066887
Energy: 1.2439067947563973
Energy: 1.2294632616645529
Energy: 1.2589800749899296
Energy: 1.2294632616656744
Energy: 1.2589800749921214
Energy: 1.2294632616662349
Energy: 1.2589800749949245
Energy: 1.237859119033825
Energy: 1.274596072522066
Energy: 1.237859119034386
Energy: 1.274596072523748
Energy: 1.237859119033825
Energy: 1.274596072520384
Energy: 1.1210495337469626
Energy: 1.1811663573272833
Energy: 1.121049533747523
Energy: 1.1811663573284044
Energy: 1.1210495337469626
Energy: 1.1811663573278437
Energy: 1.1270885482881368
Energy: 1.1648188028958242
Energy: 1.1270885482915007
Energy: 1.1648188028975062
Energy: 1.1270885482886974
Energy: 1.1648188028975062
Energy: 1.1128694348974624
Energy: 1.2597899879504875
Energy: 1.112869434896902
Energy: 1.2597899879527301
Energy: 1.112869434896902
Energy: 1.2597899879510484
Energy: 1.237681542706276
Energy: 1.2027954664502536
Energy: 1.237681542706276
Energy: 1.2027954664485716
Energy: 1.237681542706276
Energy: 1.2027954664480112
Energy: 1.0994058029055476
Energy: 1.2643905443116705
Energy: 1.0994058029038658
Energy: 1.2643905443105492
Energy: 1.0994058029061082
Energy: 1.2643905443111096
Energy: 1.1411008974134924
Energy: 1.164726267981726
Energy: 1.1411008974134924
Energy: 1.1647262679812163
Energy: 1.1411008974146137
Energy: 1.164726267981726
Energy: 1.175969771816713
Energy: 1.3548299706653049
Energy: 1.1759697718172735
Energy: 1.3548299706669866
Energy: 1.1759697718155917
Energy: 1.3548299706647442
Energy: 1.2532287273442104
Energy: 1.1862397410601846
Energy: 1.2532287273436498
Energy: 1.1862397410596242
Energy: 1.2532287273442104
Energy: 1.1862397410596242
Energy: 1.231925715839533
Energy: 1.1878256704542918
Energy: 1.2319257158406542
Energy: 1.1878256704548524
Energy: 1.231925715841215
Energy: 1.1878256704542918
Energy: 1.14402180089314
Energy: 1.1871923871272205
Energy: 1.1440218008953826
Energy: 1.1871923871283419
Energy: 1.1440218008942613
Energy: 1.1871923871294632
Energy: 1.1937964381006512
Energy: 1.3375681918761106
Energy: 1.1937964381017723
Energy: 1.3375681918716251
Energy: 1.193796438098969
Energy: 1.3375681918744287
Energy: 1.236599191579193
Energy: 1.1735430468331627
Energy: 1.236599191580875
Energy: 1.1735430468331627
Energy: 1.236599191580875
Energy: 1.1735430468337236
Energy: 1.0983219149882455
Energy: 1.232768948407696
Energy: 1.0983219149882455
Energy: 1.232768948407696
Energy: 1.0983219149882455
Energy: 1.2327689484082565
Energy: 1.0991449287223944
Energy: 1.202689158824895
Energy: 1.0991449287201518
Energy: 1.2026891588271378
Energy: 1.0991449287212731
Energy: 1.20268915882041
Energy: 1.1643335680088485
Energy: 1.1687249128893622
Energy: 1.1643335680094091
Energy: 1.1687249128899229
Energy: 1.1643335680088485
Energy: 1.1687249128899229
Energy: 1.128416374784458
Energy: 1.1736040116353932
Energy: 1.1284163747833877
Energy: 1.1736040116348325
Energy: 1.1284163747822664
Energy: 1.1736040116359536
Energy: 1.186039526373172
Energy: 1.2736905792722673
Energy: 1.1860395263737327
Energy: 1.2736905792722673
Energy: 1.1860395263737327
Energy: 1.2736905792722673
Energy: 1.2299792359947053
Energy: 1.1889258114970942
Energy: 1.229979235995266
Energy: 1.1889258114959729
Energy: 1.2299792359958266
Energy: 1.1889258114976549
Energy: 1.3307723738900152
Energy: 1.1029105176058045
Energy: 1.3307723738900152
Energy: 1.1029105176058045
Energy: 1.3307723738922579
Energy: 1.1029105176058045
Energy: 1.1220634433402878
Energy: 1.1690838233002756
Energy: 1.1220634433408485
Energy: 1.1690838233036396
Energy: 1.1220634433408485
Energy: 1.1690838233042
Energy: 1.1911370698509631
Energy: 1.230824404877032
Energy: 1.1911370698515236
Energy: 1.230824404877032
Energy: 1.1911370698520842
Energy: 1.2308244048764712
Energy: 1.0990513122035277
Energy: 1.1849660920496146
Energy: 1.0990513122024064
Energy: 1.1849660920518572
Energy: 1.0990513122024064
Energy: 1.1849660920501752

minimum gb energy = 1.0983219149882455 eV
minimum distance =  2.32043648686512 Angstroms
sigma value = 33


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

Energy: 1.3608203745236842
Energy: 1.2467927528475515
Energy: 1.3608203745236842
Energy: 1.2467927528467646
Energy: 1.3608203745256156
Energy: 1.2467927528467646
Energy: 1.390065205739176
Energy: 1.1491801099744892
Energy: 1.3900652057403207
Energy: 1.149180109975276
Energy: 1.3900652057403207
Energy: 1.1491801099757055
Energy: 1.3084173319443113
Energy: 1.3924808834018754
Energy: 1.3084173319340813
Energy: 1.3924808834010882
Energy: 1.3084173319471015
Energy: 1.3924808834026623
Energy: 1.2493271851000973
Energy: 1.2195948259078024
Energy: 1.2493271850993104
Energy: 1.219594825907445
Energy: 1.249327185092228
Energy: 1.2195948259090186
Energy: 1.2611153025629733
Energy: 1.3105291978165292
Energy: 1.2611153025649051
Energy: 1.3105291978133815
Energy: 1.261115302563331
Energy: 1.3105291978149554
Energy: 1.2861817123970969
Energy: 1.2450564801399089
Energy: 1.28618171239631
Energy: 1.245056480138693
Energy: 1.2861817124002446
Energy: 1.2450564801410535
Energy: 1.2310611537763825
Energy: 1.3379093362579026
Energy: 1.2310611537763825
Energy: 1.337909336256758
Energy: 1.231061153778743
Energy: 1.3379093362579026
Energy: 1.2855286507196284
Energy: 1.286462617160334
Energy: 1.285528650718484
Energy: 1.2864626171567568
Energy: 1.2855286507232055
Energy: 1.2864626171551827
Energy: 1.4125700264669312
Energy: 1.2863038650237797
Energy: 1.4125700264669312
Energy: 1.2863038650194158
Energy: 1.4125700264689345
Energy: 1.2863038650229928
Energy: 1.3791486259913375
Energy: 1.2168046281695413
Energy: 1.3791486259925536
Energy: 1.2168046281691836
Energy: 1.3791486259874028
Energy: 1.2168046281687543
Energy: 1.2923334056222258
Energy: 1.2859708643356091
Energy: 1.2923334056186486
Energy: 1.2859708643368253
Energy: 1.2923334056214388
Energy: 1.2859708643376122
Energy: 1.250058023717761
Energy: 1.2203897601712554
Energy: 1.250058023709534
Energy: 1.2203897601708262
Energy: 1.250058023719335
Energy: 1.2203897601704685
Energy: 1.2875802544258823
Energy: 1.2909018521184135
Energy: 1.2875802544238792
Energy: 1.290901852122348
Energy: 1.2875802544258823
Energy: 1.290901852128286
Energy: 1.2859337707730405
Energy: 1.2850039975495495
Energy: 1.2859337707800516
Energy: 1.285003997547976
Energy: 1.285933770780481
Energy: 1.2850039975499072
Energy: 1.3082882388015875
Energy: 1.2246532202296956
Energy: 1.3082882388004429
Energy: 1.2246532202296956
Energy: 1.3082882387980819
Energy: 1.2246532202296956
Energy: 1.2176904877014376
Energy: 1.3901923115170147
Energy: 1.2176904877037984
Energy: 1.3901923115083583
Energy: 1.2176904877017953
Energy: 1.3901923115154409
Energy: 1.2996603484896871
Energy: 1.1900681888960658
Energy: 1.2996603484916902
Energy: 1.1900681888960658
Energy: 1.2996603484893292
Energy: 1.1900681888952789
Energy: 1.2095831099889218
Energy: 1.252801496407582
Energy: 1.2095831099912828
Energy: 1.2528014964087266
Energy: 1.209583109992857
Energy: 1.2528014964079397
Energy: 1.400080368050484
Energy: 1.248248317295001
Energy: 1.4000803680539897
Energy: 1.2482483172945718
Energy: 1.400080368054419
Energy: 1.248248317295001
Energy: 1.1869969824062838
Energy: 1.2429751365410984
Energy: 1.1869969824051392
Energy: 1.2429751365379507
Energy: 1.1869969824062838
Energy: 1.2429751365379507
Energy: 1.1922260804324543
Energy: 1.2909568939305522
Energy: 1.1922260804328118
Energy: 1.290956893929837
Energy: 1.1922260804312381
Energy: 1.2909568939309817
Energy: 1.1793271952008024
Energy: 1.3473965353382393
Energy: 1.1793271952015894
Energy: 1.3473965353374524
Energy: 1.1793271952031632
Energy: 1.3473965353390263
Energy: 1.308099637869002
Energy: 1.1611835806524462
Energy: 1.308099637865067
Energy: 1.1611835806513016
Energy: 1.3080996378705756
Energy: 1.1611835806524462
Energy: 1.1880379789218865
Energy: 1.298141830559257
Energy: 1.1880379789195255
Energy: 1.298141830562834
Energy: 1.1880379789210993
Energy: 1.298141830560473
Energy: 1.2722012292349645
Energy: 1.1892526891759152
Energy: 1.2722012292357514
Energy: 1.1892526891759152
Energy: 1.2722012292357514
Energy: 1.1892526891759152
Energy: 1.2357892902938805
Energy: 1.2858711584935911
Energy: 1.2357892902923067
Energy: 1.2858711584963813
Energy: 1.2357892902915197
Energy: 1.2858711584935911
Energy: 1.3471491658877606
Energy: 1.239191546379991
Energy: 1.3471491658874029
Energy: 1.239191546379633
Energy: 1.347149165886616
Energy: 1.2391915463792038
Energy: 1.2907518732409173
Energy: 1.1914761269145948
Energy: 1.290751873242062
Energy: 1.191476126912663
Energy: 1.2907518732401304
Energy: 1.1914761269134502
Energy: 1.2432226619405222
Energy: 1.2988977755492404
Energy: 1.24322266194088
Energy: 1.2988977755536042
Energy: 1.2432226619330822
Energy: 1.2988977755520306
Energy: 1.2074875889479444
Energy: 1.378421451288249
Energy: 1.207487588949089
Energy: 1.3784214512878907
Energy: 1.207487588947515
Energy: 1.3784214512871042
Energy: 1.2476956735387557
Energy: 1.2014535243399007
Energy: 1.247695673538398
Energy: 1.2014535243406876
Energy: 1.247695673537611
Energy: 1.2014535243399007
Energy: 1.1882699759992503
Energy: 1.3204181973634088
Energy: 1.1882699759976765
Energy: 1.320418197372852
Energy: 1.1882699759973188
Energy: 1.3204181973775737
Energy: 1.1861838177691002
Energy: 1.2193625037781795
Energy: 1.1861838177765405
Energy: 1.219362503775819
Energy: 1.1861838177683133
Energy: 1.219362503777822
Energy: 1.2995042283536935
Energy: 1.3181946158061935
Energy: 1.2995042283536935
Energy: 1.318194615805764
Energy: 1.2995042283513325
Energy: 1.318194615807338
Energy: 1.299703975227851
Energy: 1.3185228787109844
Energy: 1.299703975228209
Energy: 1.3185228787109844
Energy: 1.2997039752297828
Energy: 1.3185228787113423
Energy: 1.1856609178948683
Energy: 1.2192933223542817
Energy: 1.1856609178968713
Energy: 1.2192933223530658
Energy: 1.1856609178972293
Energy: 1.2192933223530658
Energy: 1.188140647367838
Energy: 1.3205368087923917
Energy: 1.1881406473639033
Energy: 1.3205368087872407
Energy: 1.1881406473639033
Energy: 1.3205368087947524
Energy: 1.2476778757048292
Energy: 1.2013243483109113
Energy: 1.2476778757048292
Energy: 1.2013243483112692
Energy: 1.2476778757043998
Energy: 1.2013243483109113
Energy: 1.2075127674491255
Energy: 1.3785652946196136
Energy: 1.207512767446765
Energy: 1.3785652946184692
Energy: 1.20751276744562
Energy: 1.3785652946184692
Energy: 1.2431834814836897
Energy: 1.2980474908016628
Energy: 1.2431834814793257
Energy: 1.2980474908040236
Energy: 1.2431834814813287
Energy: 1.298047490802879
Energy: 1.290557720418317
Energy: 1.1911736207765233
Energy: 1.2905577204163854
Energy: 1.1911736207749495
Energy: 1.290557720414382
Energy: 1.1911736207753072
Energy: 1.3473955149179953
Energy: 1.2392314302415266
Energy: 1.3473955149183527
Energy: 1.2392314302418843
Energy: 1.34739551491914
Energy: 1.2392314302423137
Energy: 1.2357667667521124
Energy: 1.2858916220964158
Energy: 1.2357667667513252
Energy: 1.2858916220999215
Energy: 1.235766766753257
Energy: 1.2858916220972028
Energy: 1.2715637565588596
Energy: 1.1891469542229505
Energy: 1.271563756562007
Energy: 1.1891469542241668
Energy: 1.2715637565607907
Energy: 1.1891469542237376
Energy: 1.1880338547159413
Energy: 1.2980372882290567
Energy: 1.188033854717086
Energy: 1.2980372882278406
Energy: 1.1880338547167284
Energy: 1.2980372882270537
Energy: 1.3085328857291494
Energy: 1.1610871844191848
Energy: 1.3085328857280047
Energy: 1.1610871844164663
Energy: 1.3085328857291494
Energy: 1.1610871844164663
Energy: 1.1792503333802282
Energy: 1.3473497638735992
Energy: 1.1792503333802282
Energy: 1.3473497638728122
Energy: 1.1792503333830182
Energy: 1.3473497638723828

minimum gb energy = 1.1491801099744892 eV
minimum distance =  2.31280579636206 Angstroms
sigma value = 67


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

Energy: 1.484727175849382
Energy: 1.3778938441569772
Energy: 1.4847271758554186
Energy: 1.3778938441569772
Energy: 1.4847271758517429
Energy: 1.3778938441569772
Energy: 1.3779766293210456
Energy: 1.2025597974473023
Energy: 1.3779766293218225
Energy: 1.2025597974473023
Energy: 1.377976629322898
Energy: 1.202559797449932
Energy: 1.8319673006145407
Energy: 1.5668398565277906
Energy: 1.831967300609281
Energy: 1.5668398565280592
Energy: 2.038600815304078
Energy: 1.5668398565277906
Energy: 1.3779270682500162
Energy: 1.2027442180792625
Energy: 1.3779270682521079
Energy: 1.2027442180792625
Energy: 1.3779270682516
Energy: 1.2027442180792625
Energy: 1.484727175851474
Energy: 1.377893844159607
Energy: 1.4847271758532967
Energy: 1.3778938441569772
Energy: 1.4847271758491134
Energy: 1.3778938441569772
Energy: 1.3779766293210456
Energy: 1.202559797449932
Energy: 1.3779766293191926
Energy: 1.2025597974473023
Energy: 1.3779766293236753
Energy: 1.202559797449932
Energy: 1.831967300611911
Energy: 1.5668398565280592
Energy: 1.831967300611911
Energy: 1.5668398565285675
Energy: 2.0386008153461237
Energy: 1.5668398565285675

minimum gb energy = 1.2025597974473023 eV
minimum distance =  2.31766427577611 Angstroms
sigma value = 3


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

Energy: 1.802376347786754
Energy: 1.664252592496992
Energy: 1.690043313126532
Energy: 1.6642525925184637
Energy: 1.8023763477903327
Energy: 1.6642525925184637
Energy: 1.6585968613459943
Energy: 1.4470703244544614
Energy: 1.6585968613459943
Energy: 1.4470703244437257
Energy: 1.6585968613388373
Energy: 1.4470703244437257
Energy: 1.6158626806768026
Energy: 1.7117068264044224
Energy: 1.6161877965983868
Energy: 1.7117068264151585
Energy: 1.6158626806839598
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Energy: 1.5801655225690785
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Energy: 1.365290982588788
Energy: 1.5083126062537646
Energy: 1.3661693954652048
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Energy: 1.6092431694960159
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Energy: 1.4612037682186827
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Energy: 1.5779750595553705
Energy: 1.5779035817660723
Energy: 1.5792089811656294
Energy: 1.5779035817768077
Energy: 1.5779717300825329
Energy: 1.5779035817732292
Energy: 1.540978529750121
Energy: 1.5500402969571507
Energy: 1.5410445962915122
Energy: 1.550040294707271
Energy: 1.540978529750121
Energy: 1.5500403042542474
Energy: 1.7209691269537994
Energy: 1.4571739332689768
Energy: 1.7209691269502208
Energy: 1.457173933276134
Energy: 1.7209691269537994
Energy: 1.457173933276134
Energy: 1.5172392177997729
Energy: 1.4478555272419953
Energy: 1.5172390962754085
Energy: 1.4478555272491522
Energy: 1.51723866722356
Energy: 1.4478555272491522
Energy: 1.5015504066721124
Energy: 1.4957785812394693
Energy: 1.5021590348902327
Energy: 1.495778581232312
Energy: 1.50402480361778
Energy: 1.495778581232312
Energy: 1.5119094986546662
Energy: 1.5995567119412863
Energy: 1.5119094986582446
Energy: 1.5995567119484435
Energy: 1.5119094986618233
Energy: 1.5995567119520222
Energy: 1.7365192006216548
Energy: 1.468696606023639
Energy: 1.7365192006216548
Energy: 1.4686966060451103
Energy: 1.7365192006144976
Energy: 1.4686966060379532
Energy: 1.7254148807924772
Energy: 1.4474383502347823
Energy: 1.7254110226524142
Energy: 1.4474383502276251
Energy: 1.7254148807960559
Energy: 1.4474383502276251
Energy: 1.4993662880884917
Energy: 1.5480223067746564
Energy: 1.4988162738875377
Energy: 1.5479953169673206
Energy: 1.499780867927695
Energy: 1.5479908390471435
Energy: 1.5407252792731656
Energy: 1.4753128478481963
Energy: 1.54072527926243
Energy: 1.4745089306464445
Energy: 1.5407252792660084
Energy: 1.4746068364171399
Energy: 1.638257154236562
Energy: 1.5671131549950137
Energy: 1.6382571542294047
Energy: 1.567113154984278
Energy: 1.6382571542222477
Energy: 1.5671131549878565
Energy: 1.497692515195535
Energy: 1.555352473734688
Energy: 1.4973880973414269
Energy: 1.5553524737382665
Energy: 1.4975235814769352
Energy: 1.5553524737454236

minimum gb energy = 1.365290982588788 eV
minimum distance =  2.24772900273734 Angstroms
sigma value = 81


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

Energy: 1.5822908799018034
Energy: 1.7069287599455012
Energy: 1.5705207093768285
Energy: 1.7069287599386251
Energy: 1.582290879900821
Energy: 1.706928759935678
Energy: 1.6813750607448283
Energy: 1.7673878503148313
Energy: 1.6813750607413902
Energy: 1.6951019283995175
Energy: 1.6813750607423725
Energy: 1.7673878503212161
Energy: 1.6720811265615083
Energy: 1.3669584538904354
Energy: 1.5672051684451132
Energy: 1.3669584538884707
Energy: 1.672081126555123
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Energy: 1.5626676836822335
Energy: 1.5590450104514062
Energy: 1.5626676836802689
Energy: 1.5590450104533708
Energy: 1.5626676836778133
Energy: 1.559045010450915
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Energy: 1.4912706449769701
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Energy: 1.7353266928966722
Energy: 1.491270644980408
Energy: 1.5828704315211102
Energy: 1.3707951409117143
Energy: 1.5828704315220925
Energy: 1.5176581500316433
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Energy: 1.369355913846264
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Energy: 1.5136859753460812
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Energy: 1.5706996505721398
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Energy: 1.745752945221499
Energy: 1.6218435619004856
Energy: 1.37238003650488
Energy: 1.6218435602897232
Energy: 1.372380036505862
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Energy: 1.6500116713417345
Energy: 1.6005139652336566
Energy: 1.650011671347137
Energy: 1.600513965228254
Energy: 1.6500116713481197
Energy: 1.6005139652321834
Energy: 1.7545159795825571
Energy: 1.5068277530630414
Energy: 1.7545159795830483
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Energy: 1.7545159795805925
Energy: 1.506827753062059
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Energy: 1.5148550718132272
Energy: 1.561438719274761
Energy: 1.3736451729809356
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Energy: 1.4728380890226214
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Energy: 1.5000745228927685
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Energy: 1.5005801571793944
Energy: 1.6492713653116788
Energy: 1.5000745230984731
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Energy: 1.3678203822162645
Energy: 1.5710331911768733
Energy: 1.367565919573659
Energy: 1.5710331911837494
Energy: 1.3676696605186078
Energy: 1.486852911996845
Energy: 1.7468681524372343
Energy: 1.4868529119875131
Energy: 1.7468681524387077
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Energy: 1.7468681524406726
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Energy: 1.5087363611404296
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Energy: 1.586591062107076
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Energy: 1.5630116526960276
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Energy: 1.370974625290365
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Energy: 1.3742018081005067
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Energy: 1.7454676745413338
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Energy: 1.7471081637833719
Energy: 1.3249269785964575
Energy: 1.6091163993842101
Energy: 1.3251618718493394
Energy: 1.6091163990680408
Energy: 1.3250496456795766
Energy: 1.6091163989247133
Energy: 1.649448753144864
Energy: 1.7029558027907572
Energy: 1.6494487531409348
Energy: 1.7029384666123133
Energy: 1.6494487531428992
Energy: 1.7029384374767302
Energy: 1.471508091119621
Energy: 1.5459536335986557
Energy: 1.4715080911205587
Energy: 1.5459536336030761
Energy: 1.471508091121541
Energy: 1.5459536336006203
Energy: 1.556951716192415
Energy: 1.3736387902797382
Energy: 1.5569517162002735
Energy: 1.5240917646540166
Energy: 1.556951716192415
Energy: 1.3736387902817029
Energy: 1.738889264732314
Energy: 1.6531966945419023
Energy: 1.7433927867620778
Energy: 1.65319669454092
Energy: 1.7388892647386989
Energy: 1.6531966945428844
Energy: 1.3698947282778746
Energy: 1.6162780976944386
Energy: 1.3698947282783658
Energy: 1.6176571417137913
Energy: 1.3698947282803304
Energy: 1.6162780976968945
Energy: 1.3975042362306367
Energy: 1.6468225293245446
Energy: 1.3975042362326013
Energy: 1.6468225293333854
Energy: 1.3975042362321102
Energy: 1.6468225293324033
Energy: 1.4900403169172645
Energy: 1.7489361727265775
Energy: 1.490040316921685
Energy: 1.7489361727226482
Energy: 1.4900403169211938
Energy: 1.7489361727275599
Energy: 1.3733337315945016
Energy: 1.5826064474263153
Energy: 1.3733337315871343
Energy: 1.582606447422386
Energy: 1.3733337315905723
Energy: 1.5826064474228771
Energy: 1.3663058762193712
Energy: 1.3712421332178306
Energy: 1.3663058762252651
Energy: 1.3712421332173395
Energy: 1.3663058762257563
Energy: 1.371242133215866
Energy: 1.6883790652565873
Energy: 1.90210236386124
Energy: 1.701520625856059
Energy: 1.9021023638617314
Energy: 1.6883790652511848
Energy: 1.9021023638622225
Energy: 1.8468873016001965
Energy: 1.5663017823883394
Energy: 1.8468871532235684
Energy: 1.566301781954829
Energy: 1.846886903193682
Energy: 1.5663017818306118
Energy: 1.743242497250784
Energy: 1.5066493951477864
Energy: 1.7432424972601162
Energy: 1.5066493951522069
Energy: 1.7432424972556957
Energy: 1.5066493951463131
Energy: 1.568662000963032
Energy: 1.5088652057747942
Energy: 1.5686620009640142
Energy: 1.3690626199093219
Energy: 1.5686620009718728
Energy: 1.5088652057767589

minimum gb energy = 1.3248317592291488 eV
minimum distance =  2.24724016180363 Angstroms
sigma value = 43


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

Energy: 1.6760137410946576
Energy: 1.5880984700683387
Energy: 1.6760137410952605
Energy: 1.5880984700677354
Energy: 1.6760137410940543
Energy: 1.5880984700665286
Energy: 1.5049042312224048
Energy: 1.4031590190651348
Energy: 1.5049042312236114
Energy: 1.4031590190657384
Energy: 1.5049042312199916
Energy: 1.4031590190645316
Energy: 1.3258774546687206
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Energy: 1.3258774546729437
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Energy: 1.4440792163447893
Energy: 1.4562407214253519
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Energy: 1.4562407180665071
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Energy: 1.4379839217422161
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Energy: 1.401184762145294
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Energy: 1.5097552279616078
Energy: 1.51019537172552
Energy: 1.509531022235609
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Energy: 1.4361119410759746
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Energy: 1.5807086716725092
Energy: 1.5815263267179498
Energy: 1.5807086716676826
Energy: 1.5815263267179498
Energy: 1.5807086716731122
Energy: 1.486815355798944
Energy: 1.3782250543073031
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Energy: 1.379421253448338
Energy: 1.4868153557995472
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Energy: 1.5558239859775405
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Energy: 1.5563405522578562
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Energy: 1.5559432001027647
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Energy: 1.4135885987936865
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Energy: 1.465284919118206
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Energy: 1.465284919122429
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Energy: 1.4865742150370818
Energy: 1.4870835804228708
Energy: 1.4861256386336534
Energy: 1.487083580423474
Energy: 1.4877010703298852
Energy: 1.5664743435416415
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Energy: 1.5676276212356186
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Energy: 1.567575252721572
Energy: 1.5116064622596734
Energy: 1.346832118360822
Energy: 1.7530247170099054
Energy: 1.346832118360219
Energy: 1.7530247170086988
Energy: 1.346832118360219
Energy: 1.753024717009302
Energy: 1.5142663583501093
Energy: 1.5272502677777746
Energy: 1.5142663583489029
Energy: 1.5269341073969238
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Energy: 1.526911482303401
Energy: 1.515741628062435
Energy: 1.3774434944302427
Energy: 1.4396832961688062
Energy: 1.3773014664736525
Energy: 1.4393828943346163
Energy: 1.3757343872995016
Energy: 1.4419599834489318
Energy: 1.3974832104526311
Energy: 1.4432120220750708
Energy: 1.3974832104526311
Energy: 1.4431523846642125
Energy: 1.3974832104526311
Energy: 1.7058695982712335
Energy: 1.5488406309436695
Energy: 1.7058695982724401
Energy: 1.5488406309436695
Energy: 1.705869598271837
Energy: 1.5488406309442726
Energy: 1.7594566894715842
Energy: 1.5103516508609047
Energy: 1.7594566894715842
Energy: 1.510351650861508
Energy: 1.7594566894703774
Energy: 1.510351650861508
Energy: 1.4851234066027474
Energy: 1.50159490036769
Energy: 1.4606661641998289
Energy: 1.50159490036769
Energy: 1.460597923606
Energy: 1.5015949003682936
Energy: 1.44033973046083
Energy: 1.4676923405366442
Energy: 1.4403227023514973
Energy: 1.4676923405366442
Energy: 1.44031195476126
Energy: 1.4676923405360407
Energy: 1.5840196727719267
Energy: 1.3478672400092504
Energy: 1.5840196727713236
Energy: 1.3477634873891933
Energy: 1.5840196727713236
Energy: 1.3478865855494226
Energy: 1.3454436044132738
Energy: 1.5268832570673567
Energy: 1.3454436044126705
Energy: 1.5268832570673567
Energy: 1.3454436044126705
Energy: 1.5268832570673567
Energy: 1.56629415655197
Energy: 1.5105469041567305
Energy: 1.5660788863739599
Energy: 1.5105469041561275
Energy: 1.5672879943007996
Energy: 1.5105469041561275
Energy: 1.4847049047093033
Energy: 1.5096983116831664
Energy: 1.4847049047093033
Energy: 1.5096983116831664
Energy: 1.4847049047087
Energy: 1.5096983116837697
Energy: 1.5830703582434837
Energy: 1.5718570015626834
Energy: 1.5830703582434837
Energy: 1.5718570015663034
Energy: 1.5830703582440873
Energy: 1.5718570015650968
Energy: 1.4144858017151323
Energy: 1.4029969826540618
Energy: 1.4144858015161272
Energy: 1.4029969826528554
Energy: 1.4144858006791379
Energy: 1.4029969826570785
Energy: 1.4786867030766568
Energy: 1.3747808586052281
Energy: 1.4780341227062792
Energy: 1.3747808586058317
Energy: 1.4778446019445488
Energy: 1.374780858606435
Energy: 1.4847703657388547
Energy: 1.3786018813053194
Energy: 1.4847703657388547
Energy: 1.378914905664701
Energy: 1.4847703657382514
Energy: 1.378963095187482
Energy: 1.608959896490739
Energy: 1.6428099854880338
Energy: 1.608959896490739
Energy: 1.6428099854874305
Energy: 1.608959896490739
Energy: 1.6428099854874305
Energy: 1.5085548548465004
Energy: 1.510721621818825
Energy: 1.4347092284458927
Energy: 1.5107216218194286
Energy: 1.4346715220570228
Energy: 1.5107216218200314

minimum gb energy = 1.3258774546687206 eV
minimum distance =  2.31395836941066 Angstroms
sigma value = 57


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

Energy: 1.748800909222917
Energy: 1.497569762479903
Energy: 1.7488009092221357
Energy: 1.497569762479903
Energy: 1.7488009092221357
Energy: 1.4975697624791218
Energy: 1.5631495854210153
Energy: 1.328519817462133
Energy: 1.5631495854202342
Energy: 1.3285198174644766
Energy: 1.5631495854210153
Energy: 1.3285198174699444
Energy: 1.6079287711648684
Energy: 1.7312184139663103
Energy: 1.6079287711664305
Energy: 1.7312184139655293
Energy: 1.607928771105502
Energy: 1.7312184139663103
Energy: 1.5305036557290932
Energy: 1.3170540953929157
Energy: 1.530503655728312
Energy: 1.3027113873976233
Energy: 1.530503655732218
Energy: 1.3134373163199244
Energy: 1.486893119276999
Energy: 1.3276744612963651
Energy: 1.4868931192777801
Energy: 1.3263750042147713
Energy: 1.486893119276999
Energy: 1.3268114965773308
Energy: 1.489043081668007
Energy: 1.32806712289466
Energy: 1.4890251639020016
Energy: 1.328067122893879
Energy: 1.488668354835833
Energy: 1.328067122893879
Energy: 1.5567352520304722
Energy: 1.5729794565498076
Energy: 1.5567352520304722
Energy: 1.5729794565178163
Energy: 1.556735252029691
Energy: 1.572979456535747
Energy: 1.5303813222018778
Energy: 1.5113038195650499
Energy: 1.5303813222010967
Energy: 1.5113038195650499
Energy: 1.5303813222018778
Energy: 1.5113038195650499
Energy: 1.5142213234831523
Energy: 1.328526221453193
Energy: 1.5142213234792465
Energy: 1.328526221451631
Energy: 1.5142213234808088
Energy: 1.3285262214563176
Energy: 1.2350378209315507
Energy: 1.562764426452338
Energy: 1.2350378209315507
Energy: 1.562764426452338
Energy: 1.2350378209299886
Energy: 1.562764426452338
Energy: 1.5563127016006721
Energy: 1.3162072047705209
Energy: 1.556312701599891
Energy: 1.316220159147068
Energy: 1.55631270159911
Energy: 1.3159616844653093
Energy: 1.7234289077899536
Energy: 1.4235348261561513
Energy: 1.7234289077899536
Energy: 1.4226930396506288
Energy: 1.7234289077899536
Energy: 1.4272787958090962
Energy: 1.2338858767863397
Energy: 1.3286437145312169
Energy: 1.2204370440284444
Energy: 1.3286437145312169
Energy: 1.2208253073309288
Energy: 1.328643714531998
Energy: 1.563282175939428
Energy: 1.3278225611939585
Energy: 1.5632821759292732
Energy: 1.3278225611939585
Energy: 1.5632821759363036
Energy: 1.3278225611916148
Energy: 1.3891062461126682
Energy: 1.3251429719689711
Energy: 1.3891062461134496
Energy: 1.325142971966628
Energy: 1.3891062461118873
Energy: 1.32514297196819
Energy: 1.7226566327248791
Energy: 1.569490950588549
Energy: 1.7226566327248791
Energy: 1.569490950586987
Energy: 1.72265663272566
Energy: 1.569490950586987
Energy: 1.2371912058668184
Energy: 1.5193205061562456
Energy: 1.2371912058621315
Energy: 1.5193205061554647
Energy: 1.2371912058621315
Energy: 1.5193205061554647
Energy: 1.5545337794285703
Energy: 1.2316951882601448
Energy: 1.5545337794277894
Energy: 1.2316951880063816
Energy: 1.5545337794285703
Energy: 1.2316951878588176
Energy: 1.2365447676040637
Energy: 1.5193395578751987
Energy: 1.2365447676087504
Energy: 1.5193395578759799
Energy: 1.2365447676071883
Energy: 1.5193395578744173
Energy: 1.722482028851454
Energy: 1.5690907140515231
Energy: 1.7224820288506728
Energy: 1.5690907140546477
Energy: 1.722482028852235
Energy: 1.5690907140538666
Energy: 1.3886291403110629
Energy: 1.3252186829472363
Energy: 1.3886291403095006
Energy: 1.3252186829409873
Energy: 1.3886291403095006
Energy: 1.325218682951142
Energy: 1.5660586329538675
Energy: 1.557538500391899
Energy: 1.566058633067097
Energy: 1.55753850039268
Energy: 1.5660586330460065
Energy: 1.55753850039268
Energy: 1.2200921436394323
Energy: 1.3281645477808965
Energy: 1.2201108352200747
Energy: 1.3281645477832402
Energy: 1.2203055266692224
Energy: 1.328164547782459
Energy: 1.723079276623964
Energy: 1.42667417760734
Energy: 1.7230792766247454
Energy: 1.4229420675346591
Energy: 1.7230792766255263
Energy: 1.4246652016735961

minimum gb energy = 1.2200921436394323 eV
minimum distance =  2.32852779275262 Angstroms
sigma value = 17


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

Energy: 1.3889604798394644
Energy: 1.3344164381332844
Energy: 1.3889604798383597
Energy: 1.3344164381332844
Energy: 1.3889604798383597
Energy: 1.3344164381354937
Energy: 1.3407234002362836
Energy: 1.3152417705932906
Energy: 1.3407234002318649
Energy: 1.3152417705999189
Energy: 1.340723400235179
Energy: 1.3152417705977093
Energy: 1.1636401894726331
Energy: 1.5946774066146832
Energy: 1.2329482660217377
Energy: 1.5946774066146832
Energy: 1.1630469935470753
Energy: 1.5946774066168925
Energy: 1.2005644080531317
Energy: 1.3078547666001474
Energy: 1.2005644080542361
Energy: 1.3107488777726515
Energy: 1.2005644080542361
Energy: 1.3126123242430825
Energy: 1.5299788217027204
Energy: 1.412201679586217
Energy: 1.5299788139843116
Energy: 1.4122542725453064
Energy: 1.529978766993769
Energy: 1.411780566271717
Energy: 1.1909343101156864
Energy: 1.581071692576408
Energy: 1.1780032220455665
Energy: 1.581071692576408
Energy: 1.1917933755162038
Energy: 1.5810716925753034
Energy: 1.43573445589974
Energy: 1.3684528007733254
Energy: 1.43573445589974
Energy: 1.3684528007733254
Energy: 1.4357344559008447
Energy: 1.3684528007733254
Energy: 1.2007751511245468
Energy: 1.4560313857866514
Energy: 1.2007751511245468
Energy: 1.4560313857888605
Energy: 1.200775151123442
Energy: 1.4560313857899654
Energy: 1.1856506886367228
Energy: 1.2994577661906037
Energy: 1.1873467152114867
Energy: 1.2994577661839755
Energy: 1.186123683138536
Energy: 1.2994577661872897
Energy: 1.4134515096964073
Energy: 1.3360418365385924
Energy: 1.4134515096953026
Energy: 1.3360418365297546
Energy: 1.4134515096964073
Energy: 1.3360418365297546
Energy: 1.3893510011778396
Energy: 1.3069443851536116
Energy: 1.3893510011778396
Energy: 1.3069443851525067
Energy: 1.3893510011756303
Energy: 1.3069443851525067
Energy: 1.3568734996853773
Energy: 1.3144937171662985
Energy: 1.3568734996853773
Energy: 1.3144937171662985
Energy: 1.3568734996886913
Energy: 1.3144937171662985
Energy: 1.202061514084717
Energy: 1.4478177557188898
Energy: 1.202061514084717
Energy: 1.4478177557210992
Energy: 1.2020615140836124
Energy: 1.4478177557210992
Energy: 1.4120182663361447
Energy: 1.351800599992702
Energy: 1.412018266333935
Energy: 1.3517849849997465
Energy: 1.4120182663361447
Energy: 1.351768928631639
Energy: 1.3130816218812982
Energy: 1.2337507595261092
Energy: 1.3117532039472217
Energy: 1.2337507595227952
Energy: 1.3111404518164085
Energy: 1.2337507595261092
Energy: 1.1945175434113093
Energy: 1.4506611670756333
Energy: 1.1940655987378408
Energy: 1.4506611670756333
Energy: 1.1971536116462942
Energy: 1.4506611670756333
Energy: 1.4100101185970988
Energy: 1.4928745508676233
Energy: 1.4100101185970988
Energy: 1.4928745508687278
Energy: 1.4100101185982035
Energy: 1.4928745508676233

minimum gb energy = 1.1630469935470753 eV
minimum distance =  2.26020930812068 Angstroms
sigma value = 17


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

Energy: 1.3458321405165694
Energy: 1.385789539162697
Energy: 1.2564925088544945
Energy: 1.3857895391592843
Energy: 1.3458321405157165
Energy: 1.3857895391592843
Energy: 1.3454330819980285
Energy: 1.3169409807382175
Energy: 1.2629178078079986
Energy: 1.3169409807365113
Energy: 1.3454330819963223
Energy: 1.3169409807360846
Energy: 1.4826781063046606
Energy: 1.4696419872837412
Energy: 1.4809890142618367
Energy: 1.4696419872858741
Energy: 1.2078183794785096
Energy: 1.4696419872854478
Energy: 1.2608526917768859
Energy: 1.195623392512618
Energy: 1.2609231901842128
Energy: 1.1956233925117652
Energy: 1.260852691770487
Energy: 1.1956233937197627
Energy: 1.2770840094297713
Energy: 1.3444676142869882
Energy: 1.277084009424652
Energy: 1.3444676142852816
Energy: 1.2770840094229459
Energy: 1.3444676142857084
Energy: 1.4953086348789442
Energy: 1.3150273259504537
Energy: 1.4952126249147317
Energy: 1.3150273259457612
Energy: 1.4953086348797973
Energy: 1.3150273259457612
Energy: 1.2513701453582602
Energy: 1.4415531208301604
Energy: 1.2513701453655124
Energy: 1.4415531208271744
Energy: 1.2513701453650858
Energy: 1.4415531208284542
Energy: 1.4246296493525694
Energy: 1.3549225216621217
Energy: 1.4246296482861232
Energy: 1.3549225216668142
Energy: 1.424629640735798
Energy: 1.3549225216685206
Energy: 1.396288610996506
Energy: 1.3389392932825803
Energy: 1.3962886109973591
Energy: 1.3389392932821536
Energy: 1.3962886110024395
Energy: 1.3389392932821536
Energy: 1.2517548160034757
Energy: 1.2871404261498702
Energy: 1.2517548160004894
Energy: 1.28714042615115
Energy: 1.251754815993664
Energy: 1.2871404261507235
Energy: 1.3163857052446184
Energy: 1.324564428889786
Energy: 1.3163857052471781
Energy: 1.3245644288893592
Energy: 1.3163857052446184
Energy: 1.3245644288923455
Energy: 1.5738897216563141
Energy: 1.4001238590999614
Energy: 1.5738897216550345
Energy: 1.4001238591008147
Energy: 1.5738897216558876
Energy: 1.4001238591012413
Energy: 1.4207621381022517
Energy: 1.3242600634301862
Energy: 1.4207621381129167
Energy: 1.3242601301940424
Energy: 1.4207621381116369
Energy: 1.324260128308497
Energy: 1.3556095345838908
Energy: 1.397183181764734
Energy: 1.3556095345838908
Energy: 1.3971831817621745
Energy: 1.3556095345851706
Energy: 1.3971831817583351
Energy: 1.3269434977242023
Energy: 1.3499592295078597
Energy: 1.3265811393901517
Energy: 1.3499592295070064
Energy: 1.3189564645107394
Energy: 1.3499592295134055
Energy: 1.3220163332923967
Energy: 1.382339398177526
Energy: 1.3218146039592074
Energy: 1.382339398183925
Energy: 1.322016333283438
Energy: 1.3823393981881906
Energy: 1.3553934190965111
Energy: 1.5736503001513344
Energy: 1.3553934191054695
Energy: 1.5736503001534674
Energy: 1.3553934191063228
Energy: 1.573650300154747
Energy: 1.538576507668752
Energy: 1.273298545221106
Energy: 1.5385764748249722
Energy: 1.2732985452270786
Energy: 1.538576356197916
Energy: 1.273298545205322
Energy: 1.4015649935341017
Energy: 1.3406777153959977
Energy: 1.4015649935375143
Energy: 1.3406777153938647
Energy: 1.4015649935341017
Energy: 1.3406777153917318
Energy: 1.3544783598975572
Energy: 1.2256950276280771
Energy: 1.3544783598971304
Energy: 1.2256950276161713
Energy: 1.3544783599001167
Energy: 1.2256950276161713
Energy: 1.4659211120384794
Energy: 1.3404382370483023
Energy: 1.4659211120350666
Energy: 1.3404382370483023
Energy: 1.4659211120205624
Energy: 1.3404382370491559
Energy: 1.4448153371124735
Energy: 1.2692038867918516
Energy: 1.4448153313261531
Energy: 1.269203800840652
Energy: 1.4448153163926107
Energy: 1.269203766571777
Energy: 1.3547479767458266
Energy: 1.492633749249769
Energy: 1.3547479767522255
Energy: 1.4926337492514752
Energy: 1.3547479767543582
Energy: 1.4926337492510486
Energy: 1.3240436836347247
Energy: 1.3982160854276449
Energy: 1.324043683633445
Energy: 1.3982160854259384
Energy: 1.3240436836368579
Energy: 1.3982160854361767
Energy: 1.3493524196309556
Energy: 1.3518857589785251
Energy: 1.3493327822230052
Energy: 1.3518857589713118
Energy: 1.2638711414336685
Energy: 1.3518857589717386
Energy: 1.3989804455901698
Energy: 1.3858317832506526
Energy: 1.3555144310219132
Energy: 1.3858317832442535
Energy: 1.3989804455952888
Energy: 1.385831783242547
Energy: 1.432332693041615
Energy: 1.3721855422460898
Energy: 1.3547951733970331
Energy: 1.3721855422409708
Energy: 1.4323326930424292
Energy: 1.372185542239691
Energy: 1.5954726365490806
Energy: 1.3989777274401387
Energy: 1.2056719907620217
Energy: 1.3989777274354462
Energy: 1.595472636545241
Energy: 1.3989777274354462
Energy: 1.315704027969112
Energy: 1.417988366364677
Energy: 1.315932238699706
Energy: 1.4179883663582784
Energy: 1.3157040279678323
Energy: 1.4179883663629709
Energy: 1.2516971928667804
Energy: 1.2864764770025332
Energy: 1.2516971928582485
Energy: 1.2864764770021067
Energy: 1.2516971928578218
Energy: 1.2864764770021067
Energy: 1.4576012981230113
Energy: 1.381134870534757
Energy: 1.4576012981230113
Energy: 1.3811348705351836
Energy: 1.457601298121305
Energy: 1.3811348705385964
Energy: 1.3595402714570444
Energy: 1.4426466457201825
Energy: 1.3595402714502578
Energy: 1.442646620416063
Energy: 1.3595402714553768
Energy: 1.4426448347356404
Energy: 1.2441227515136732
Energy: 1.3673785133659435
Energy: 1.2441227515089806
Energy: 1.3673785133714893
Energy: 1.2441227515072741
Energy: 1.3673785133719158
Energy: 1.4056647502897717
Energy: 1.276449246050148
Energy: 1.4056647517745124
Energy: 1.2764492460561205
Energy: 1.4056647541512612
Energy: 1.2764492460561205
Energy: 1.3010757701611027
Energy: 1.331535686067111
Energy: 1.3010757701611027
Energy: 1.3315356860654046
Energy: 1.3010757701717675
Energy: 1.331535686066258
Energy: 1.2681333914662567
Energy: 1.4524839537832472
Energy: 1.268133391462417
Energy: 1.45248395378666
Energy: 1.268133391472229
Energy: 1.4524839537947651
Energy: 1.4210261009434249
Energy: 1.3377762634386188
Energy: 1.421026178139714
Energy: 1.3377762634450177
Energy: 1.4210258115
Energy: 1.3377762634441643
Energy: 1.3799085350403277
Energy: 1.3505013091130786
Energy: 1.379908535039901
Energy: 1.350501309119051
Energy: 1.3799085350403277
Energy: 1.3505013091203308
Energy: 1.2564925088553476
Energy: 1.385789539157578
Energy: 1.2564925088544945
Energy: 1.3857895391562982
Energy: 1.2564925088532146
Energy: 1.3857895391562982
Energy: 1.262917807811838
Energy: 1.372022344577679
Energy: 1.2629178078092784
Energy: 1.3720223445832247
Energy: 1.2629178078135443
Energy: 1.3720223445832247
Energy: 1.3934054570707752
Energy: 1.4699450335710331
Energy: 1.3999661368612155
Energy: 1.4699450335667672
Energy: 1.4000649470707145
Energy: 1.469945033565914
Energy: 1.2638006355791744
Energy: 1.3673469554312245
Energy: 1.26350965873163
Energy: 1.367346955435917
Energy: 1.2638006355813072
Energy: 1.3673469554376236
Energy: 1.2770840094229459
Energy: 1.3446566782603813
Energy: 1.2770840094212392
Energy: 1.3446566782565417
Energy: 1.277084009424652
Energy: 1.344656678262514

minimum gb energy = 1.1956233925117652 eV
minimum distance =  2.18705621692043 Angstroms
sigma value = 57


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

Energy: 1.2358238568393785
Energy: 1.2058987425936714
Energy: 1.2358238568393785
Energy: 1.2058987425929768
Energy: 1.2358238568400732
Energy: 1.2058987425929768
Energy: 1.1972400360432973
Energy: 1.1749676387829908
Energy: 1.197240036029405
Energy: 1.1749676387850747
Energy: 1.197240036041908
Energy: 1.1749676387836856
Energy: 1.326228388277224
Energy: 1.2827030330330715
Energy: 1.3262283882793076
Energy: 1.2827030330344606
Energy: 1.3262283882897266
Energy: 1.282703033033766
Energy: 1.2192111844890068
Energy: 1.3345341894308884
Energy: 1.2192111844945634
Energy: 1.3345341894322778
Energy: 1.2192111844987312
Energy: 1.3345341894315832
Energy: 1.1974587874827665
Energy: 1.1195350532961335
Energy: 1.1974587874806828
Energy: 1.1195350532954387
Energy: 1.1974587874730422
Energy: 1.1195350532961335
Energy: 1.3684453914997943
Energy: 1.1916778237914283
Energy: 1.3684453914991
Energy: 1.191677823790734
Energy: 1.3684453914984054
Energy: 1.1916778237914283
Energy: 1.134628893831661
Energy: 1.2928016729542893
Energy: 1.1346288938330504
Energy: 1.2928016729570677
Energy: 1.134628893830272
Energy: 1.2928016729542893
Energy: 1.2241477824760636
Energy: 1.2601450453828718
Energy: 1.22414778246495
Energy: 1.26013001214157
Energy: 1.2241477824774532
Energy: 1.2601186321782438
Energy: 1.2205142877960162
Energy: 1.194050789050831
Energy: 1.2205142877960162
Energy: 1.194050789050831
Energy: 1.2205142877960162
Energy: 1.1940507890501362
Energy: 1.2110011101756017
Energy: 1.2437665359120589
Energy: 1.2110011101756017
Energy: 1.2437665359106695
Energy: 1.2110011101756017
Energy: 1.243766535911364
Energy: 1.1347258396112403
Energy: 1.270177510004923
Energy: 1.1347258396070725
Energy: 1.2701775100111743
Energy: 1.1347258396119349
Energy: 1.2701775100104797
Energy: 1.2729412057692746
Energy: 1.146639883569326
Energy: 1.272941205769969
Energy: 1.146639883569326
Energy: 1.2729412057692746
Energy: 1.146639883569326
Energy: 1.2075505542058418
Energy: 1.288283443542304
Energy: 1.2075505542079257
Energy: 1.2882834435429988
Energy: 1.2075505542058418
Energy: 1.288283443542304
Energy: 1.1595750770149829
Energy: 1.2691613530576653
Energy: 1.1595750770184556
Energy: 1.2691613530632222
Energy: 1.1595750770177613
Energy: 1.2691613530625276
Energy: 1.3496594954322405
Energy: 1.2182347700689853
Energy: 1.3496594954287675
Energy: 1.21823477006968
Energy: 1.3496594954301566
Energy: 1.21823477006968
Energy: 1.2041146354654666
Energy: 1.1938010134447374
Energy: 1.2041146354654666
Energy: 1.1938010134440427
Energy: 1.2041146354661614
Energy: 1.193801013445432
Energy: 1.2496428234977672
Energy: 1.3389486639834018
Energy: 1.2496428234956833
Energy: 1.3389486639834018
Energy: 1.2496428234956833
Energy: 1.3389486639834018
Energy: 1.191853536077253
Energy: 1.2740387630481158
Energy: 1.1918535360321043
Energy: 1.2740387630495051
Energy: 1.1918536798283341
Energy: 1.2740387630488106
Energy: 1.1742841011135958
Energy: 1.2575726035618613
Energy: 1.1742841011142904
Energy: 1.2575726035625558
Energy: 1.1742841011135958
Energy: 1.2575726035611667
Energy: 1.1592957430819628
Energy: 1.32555836809765
Energy: 1.1592957430833517
Energy: 1.32555836809765
Energy: 1.1592957430812683
Energy: 1.3255583680969552
Energy: 1.2392464716859
Energy: 1.2645089012191717
Energy: 1.2392464716831215
Energy: 1.2645089012177826
Energy: 1.239246471682427
Energy: 1.2645089012143096
Energy: 1.1346379556978976
Energy: 1.2584219915365973
Energy: 1.1346379556992865
Energy: 1.2584219915345136
Energy: 1.1346379556985922
Energy: 1.2584219915365973
Energy: 1.2490642214202865
Energy: 1.2744898058570946
Energy: 1.249064221419592
Energy: 1.2744898058570946
Energy: 1.2490642214188974
Energy: 1.2744898058563998
Energy: 1.2524882051471413
Energy: 1.2573186818144257
Energy: 1.2524882050339852
Energy: 1.2573186818171407
Energy: 1.2524882040959633
Energy: 1.2573186818171407
Energy: 1.2518651772049358
Energy: 1.4936149107019971
Energy: 1.251865113915656
Energy: 1.4936149107013026
Energy: 1.2518650152843338
Energy: 1.4936149107019971
Energy: 1.203674202969076
Energy: 1.2727343480386095
Energy: 1.203674202970465
Energy: 1.272734348039304
Energy: 1.2036742029697707
Energy: 1.2727343480386095
Energy: 1.1496687667939032
Energy: 1.2573973572479535
Energy: 1.149668766794598
Energy: 1.2573973572500372
Energy: 1.1496687667939032
Energy: 1.2573973572479535

minimum gb energy = 1.1195350532954387 eV
minimum distance =  2.27438984304862 Angstroms
sigma value = 43


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

Energy: 1.1318532299509712
Energy: 1.0586089051074183
Energy: 1.1318532299509712
Energy: 1.0586089051074183
Energy: 1.1318532299514772
Energy: 1.0586089051069123
Energy: 1.0488347570850116
Energy: 1.0572029718584108
Energy: 1.0488347570880479
Energy: 1.0572029718584108
Energy: 1.0488347570870358
Energy: 1.0572029718589169
Energy: 1.1394775318269394
Energy: 1.1428775612599127
Energy: 1.1394775318289638
Energy: 1.1428775612599127
Energy: 1.139477531828458
Energy: 1.1428775612599127
Energy: 1.0764447242930981
Energy: 1.1187076910907403
Energy: 1.0764447242941102
Energy: 1.1187076910917524
Energy: 1.0764447242930981
Energy: 1.1187076910902343
Energy: 1.0492185099393319
Energy: 0.9909232432655039
Energy: 1.0492185099413562
Energy: 0.9909232432649977
Energy: 1.0492185099423683
Energy: 0.9909232432655039
Energy: 1.1017947808913808
Energy: 1.0468751673380494
Energy: 1.1017947808913808
Energy: 1.0468751673385555
Energy: 1.1017947808908746
Energy: 1.0468751673385555
Energy: 1.0527664760119653
Energy: 1.095752076004722
Energy: 1.0527664760124713
Energy: 1.0957520760102888
Energy: 1.0527664760099407
Energy: 1.09575207600624
Energy: 1.0523222320372598
Energy: 1.003333028254195
Energy: 1.0523222320438392
Energy: 1.003333028254701
Energy: 1.0523222320438392
Energy: 1.003333028254195
Energy: 1.0572705987265163
Energy: 1.0312541401081674
Energy: 1.0572705987285407
Energy: 1.0312541401086734
Energy: 1.0572705987265163
Energy: 1.0312541401081674
Energy: 1.1663032490605014
Energy: 1.0477804125294439
Energy: 1.1663032490615137
Energy: 1.0477804125223584
Energy: 1.1663032490610075
Energy: 1.047780412526407
Energy: 1.2497868272701576
Energy: 1.131080296887731
Energy: 1.2497868272696513
Energy: 1.131080296887225
Energy: 1.2497868272701576
Energy: 1.131080296887731
Energy: 1.0073635246859503
Energy: 1.0338174569162442
Energy: 1.0073635246854444
Energy: 1.0338174569162442
Energy: 1.0073635246859503
Energy: 1.0338174569152319
Energy: 1.165195990549895
Energy: 0.9968414171352076
Energy: 1.1651959905483769
Energy: 0.9968414171296406
Energy: 1.165195990548883
Energy: 0.9968414171347016
Energy: 1.0544202048869862
Energy: 1.1273460345534705
Energy: 1.0544202048839495
Energy: 1.127346034551446
Energy: 1.0544202048854676
Energy: 1.12734603455094
Energy: 1.0432152963105918
Energy: 1.0182898389283113
Energy: 1.0432152963095795
Energy: 1.0182898389283113
Energy: 1.0432152963100858
Energy: 1.0182898389288173
Energy: 1.088013979535044
Energy: 1.063055011895951
Energy: 1.0880139795355503
Energy: 1.063055011895951
Energy: 1.088013979535044
Energy: 1.063055011896963
Energy: 1.0499302148054646
Energy: 1.1169546899063345
Energy: 1.049930214806983
Energy: 1.1169546899068408
Energy: 1.0499302148090073
Energy: 1.1169546899043103
Energy: 1.0691087514692272
Energy: 1.02069309305417
Energy: 1.0691087514702393
Energy: 1.02069309305417
Energy: 1.0691087514747941
Energy: 1.020693093055182
Energy: 0.9982766893845644
Energy: 1.1400048982364346
Energy: 0.9982766893830459
Energy: 1.1400048982364346
Energy: 0.9982766893840582
Energy: 1.1400048982364346
Energy: 1.0499034333614008
Energy: 1.010647117332566
Energy: 1.049903433361907
Energy: 1.010647117333072
Energy: 1.0499034333624129
Energy: 1.010647117333072
Energy: 1.1390057591341298
Energy: 1.0562015987908362
Energy: 1.13900575913666
Energy: 1.0562015987908362
Energy: 1.1390057591326115
Energy: 1.0562015987903297
Energy: 1.0900522237748462
Energy: 1.145745411999919
Energy: 1.0900522237738342
Energy: 1.145745411999919
Energy: 1.0900522237748462
Energy: 1.145745411999919
Energy: 1.0874209395263814
Energy: 1.1364807638368197
Energy: 1.0874209395268875
Energy: 1.1364807638368197
Energy: 1.0874209395268875
Energy: 1.1364807638368197
Energy: 1.0892736766552644
Energy: 1.0554615773344487
Energy: 1.0892736766542521
Energy: 1.0554615773344487
Energy: 1.0892736766567828
Energy: 1.0554615773349547
Energy: 0.9970842033025957
Energy: 1.0020462225711977
Energy: 0.997084203303608
Energy: 1.002046222571704
Energy: 0.9970842033025957
Energy: 1.0020462225706919
Energy: 1.0214179164102966
Energy: 1.1131765657346622
Energy: 1.0214179164102966
Energy: 1.1131765657351684
Energy: 1.0214179164108026
Energy: 1.1131765657341564
Energy: 1.0684481986026266
Energy: 1.0175217581597298
Energy: 1.0684481986011083
Energy: 1.0175217581597298
Energy: 1.0684481986000962
Energy: 1.0175217581582114
Energy: 0.9462562677332066
Energy: 1.0074031569396649
Energy: 0.946256267736243
Energy: 1.0074031569396649
Energy: 0.9462562677332066
Energy: 1.007403156940171
Energy: 1.0211974956712302
Energy: 1.0573939407741015
Energy: 1.0211974956707242
Energy: 1.0573939407746076
Energy: 1.0211974956712302
Energy: 1.0573939407746076
Energy: 1.037516342802248
Energy: 1.0007835290858038
Energy: 1.0375163428037661
Energy: 1.0007835290873222
Energy: 1.037516342807815
Energy: 1.0007835290873222
Energy: 0.9443947914014529
Energy: 1.0069749023442978
Energy: 0.9443947914024651
Energy: 1.0069749023372125
Energy: 0.9443947914014529
Energy: 1.0069749023432855
Energy: 1.0220632970272512
Energy: 1.023458576424866
Energy: 1.0220632970277574
Energy: 1.0234585764253723
Energy: 1.0220632970282633
Energy: 1.0234585764258781
Energy: 1.0026217759762561
Energy: 1.0025587601237027
Energy: 1.002621775977774
Energy: 1.0025587601242087
Energy: 1.0026217759813167
Energy: 1.0025587601231967
Energy: 1.1540887703607825
Energy: 1.1309133063081012
Energy: 1.1540887703637728
Energy: 1.1309133063070889
Energy: 1.1540887703642788
Energy: 1.1309133063075951
Energy: 1.0603461887138905
Energy: 0.9914240691682034
Energy: 1.0603461887154089
Energy: 0.9914240691676971
Energy: 1.0603461887138905
Energy: 0.9914240691676971
Energy: 0.9215954880731866
Energy: 1.0027357485931547
Energy: 0.9215954880731866
Energy: 1.0027357485931547
Energy: 0.9215954880731866
Energy: 1.0027357485936605

minimum gb energy = 0.9215954880731866 eV
minimum distance =  2.25524948813017 Angstroms
sigma value = 81


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

Energy: 0.738389228740579
Energy: 0.7958802163855353
Energy: 0.020690473969231515
Energy: 0.7958802163855353
Energy: 0.738389228740579
Energy: 0.7958802163818164
Energy: 1.6048720849121403
Energy: 0.022178377521795106
Energy: 1.604872084915859
Energy: 0.02217837751807614
Energy: 1.6048720849121403
Energy: 0.02217837751993563
Energy: 0.74305936001088
Energy: 0.021449111732475556
Energy: 0.7430593600090205
Energy: 0.021449111732475556
Energy: 0.7430593600090205
Energy: 0.021449111730658336
Energy: 0.020690473969231515
Energy: 0.7958802163855353
Energy: 0.020690473969231515
Energy: 0.7958802163855353
Energy: 0.020690473969231515
Energy: 0.7958802163818164
Energy: 1.6048720849139997
Energy: 0.02217837751993563
Energy: 1.6048720849139997
Energy: 0.02217837751993563
Energy: 1.6048720849139997
Energy: 0.022178377521795106
Energy: 0.7430593600090205
Energy: 0.021449111732475556
Energy: 0.74305936001088
Energy: 0.021449111732475556
Energy: 0.7430593600090205
Energy: 0.021449111732475556
Energy: 0.738389228740579
Energy: 0.7958802163836758
Energy: 0.020690473969231515
Energy: 0.7958802163818164
Energy: 0.738389228740579
Energy: 0.7958802163836758
Energy: 1.6048720849139997
Energy: 0.022178377521795106
Energy: 1.604872084915859
Energy: 0.022178377523654584
Energy: 1.6048720849139997
Energy: 0.022178377521795106
Energy: 0.7430593600090205
Energy: 0.021449111730658336
Energy: 0.7430593600090205
Energy: 0.021449111730658336
Energy: 0.7430593600071611
Energy: 0.021449111732475556
Energy: 0.020690473969231515
Energy: 0.7958802163818164
Energy: 0.020690473969231515
Energy: 0.7958802163818164
Energy: 0.020690473969231515
Energy: 0.7958802163818164

minimum gb energy = 0.020690473969231515 eV
minimum distance =  2.40823221139736 Angstroms
sigma value = 3


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

Energy: 0.8437025065597551
Energy: 0.9032843235548145
Energy: 0.8437025065614244
Energy: 0.9032843235553709
Energy: 0.8437025065603115
Energy: 0.9032843235548145
Energy: 0.7296917850353223
Energy: 0.8025010429818815
Energy: 0.7296917850364352
Energy: 0.8025010429818815
Energy: 0.7296917850297577
Energy: 0.8025010429818815
Energy: 0.8712798009884969
Energy: 0.8046929046601712
Energy: 0.8712798009901663
Energy: 0.8046929046601712
Energy: 0.8712798009896099
Energy: 0.8046929046601712
Energy: 0.7976593005061715
Energy: 0.8496279816844423
Energy: 0.7976593005056151
Energy: 0.8496279816838859
Energy: 0.7976593005050586
Energy: 0.8496279816827729
Energy: 0.7613019504578997
Energy: 0.7993567315373801
Energy: 0.7613019504573433
Energy: 0.7993567315373801
Energy: 0.7613019504584562
Energy: 0.7993567315373801
Energy: 0.8630193999058808
Energy: 0.8135058047157667
Energy: 0.8630193999075502
Energy: 0.8135058047146537
Energy: 0.8630193999069937
Energy: 0.8135058047152102
Energy: 0.819597695733807
Energy: 0.842379355950889
Energy: 0.819597695733807
Energy: 0.8423793559531148
Energy: 0.819597695733807
Energy: 0.8423793559492194
Energy: 0.7600614251413351
Energy: 0.7986383657839836
Energy: 0.7600614251430045
Energy: 0.7986383657839836
Energy: 0.760061425142448
Energy: 0.7986383657839836
Energy: 0.87895982806481
Energy: 0.8363122235875862
Energy: 0.8789598280653664
Energy: 0.8363122235870297
Energy: 0.87895982806481
Energy: 0.8363122235870297
Energy: 0.8201378293862902
Energy: 0.8329580830642479
Energy: 0.8201378293879595
Energy: 0.8329580830659173
Energy: 0.8201378293868467
Energy: 0.8329580830642479
Energy: 0.8083826302877755
Energy: 0.7971518907672023
Energy: 0.8083826302794286
Energy: 0.7971518907677587
Energy: 0.8083826302844369
Energy: 0.7971518907677587
Energy: 0.8973905507825928
Energy: 0.8898950176462002
Energy: 0.8973905507831492
Energy: 0.8898950176445309
Energy: 0.8973905507825928
Energy: 0.8898950176439744
Energy: 0.7978414944172049
Energy: 0.7843337965893682
Energy: 0.7978414944172049
Energy: 0.7843337965888119
Energy: 0.7978414944172049
Energy: 0.7843337965893682
Energy: 0.8387057569588583
Energy: 0.7667230770305583
Energy: 0.8387057569621972
Energy: 0.7667230770311149
Energy: 0.8387057569599712
Energy: 0.7667230770311149
Energy: 0.8325039143294035
Energy: 0.8672983202085939
Energy: 0.8325039143294035
Energy: 0.8672983202102631
Energy: 0.8325039143282906
Energy: 0.8672983202113761
Energy: 0.7993323559525622
Energy: 0.7686754260923901
Energy: 0.7993323559514494
Energy: 0.7686754260912773
Energy: 0.7993323559514494
Energy: 0.7686754260918337
Energy: 0.8529976247133578
Energy: 0.8776385428472013
Energy: 0.8529976247122448
Energy: 0.8776385428477578
Energy: 0.8529976247122448
Energy: 0.8776385428466449
Energy: 0.8525901089814627
Energy: 0.8183685189746948
Energy: 0.8525901089809063
Energy: 0.8183685189735819
Energy: 0.8525901089809063
Energy: 0.8183685189741383
Energy: 0.8005945578373492
Energy: 0.7482941976605394
Energy: 0.8005945578390185
Energy: 0.7482941976610958
Energy: 0.8005945578379057
Energy: 0.7482941976610958
Energy: 0.8261496201101469
Energy: 0.8907107710340999
Energy: 0.8261496201107033
Energy: 0.8907107710340999
Energy: 0.8261496201090339
Energy: 0.8907107710346563
Energy: 0.8496330343753347
Energy: 0.6100188446528519
Energy: 0.8496330343758912
Energy: 0.6100188446561906
Energy: 0.8496330343747783
Energy: 0.6100188446534084
Energy: 0.7657866627409214
Energy: 0.8157440446718816
Energy: 0.7657866627398086
Energy: 0.8157440446707686
Energy: 0.7657866627386958
Energy: 0.8157440446718816
Energy: 0.859284926383734
Energy: 0.7652444853833797
Energy: 0.859284926377613
Energy: 0.7652444853839361
Energy: 0.8592849263842904
Energy: 0.7652444853839361
Energy: 0.8513889251603599
Energy: 0.6140374109314806
Energy: 0.8513889251598035
Energy: 0.614037410932037
Energy: 0.8513889251614727
Energy: 0.6140374109303678
Energy: 0.7983638333962577
Energy: 0.8505143516896069
Energy: 0.7983638333951448
Energy: 0.8505143516890503
Energy: 0.7983638333951448
Energy: 0.8505143516879374
Energy: 0.863187659963671
Energy: 0.7985090861236485
Energy: 0.8631876599642275
Energy: 0.798509086121979
Energy: 0.863187659963671
Energy: 0.7985090861236485
Energy: 0.9674552411798693
Energy: 0.7410752677111611
Energy: 0.9674552411809823
Energy: 0.7410752677111611
Energy: 0.9674552411798693
Energy: 0.7410752677111611
Energy: 0.8202370706138477
Energy: 0.8833691181282284
Energy: 0.8202370706138477
Energy: 0.8833691181287848
Energy: 0.8202370706144042
Energy: 0.8833691181276719
Energy: 0.8628819309060954
Energy: 0.7991493763232389
Energy: 0.8628819309055389
Energy: 0.7991493763232389
Energy: 0.8628819309049824
Energy: 0.7991493763232389
Energy: 0.9662735627621606
Energy: 0.92615402641643
Energy: 0.9662735627604911
Energy: 0.926154026415317
Energy: 0.9662735627582651
Energy: 0.92615402641643
Energy: 0.8994968300072353
Energy: 0.8818055376322727
Energy: 0.899496830004453
Energy: 0.8818055376317162
Energy: 0.8994968300022272
Energy: 0.8818055376317162
Energy: 0.8303681868981118
Energy: 0.8128048222257492
Energy: 0.830368186895886
Energy: 0.8128048222257492
Energy: 0.8303681868969988
Energy: 0.8128048222257492
Energy: 0.8310567254289636
Energy: 0.8751906292914811
Energy: 0.8310567254284073
Energy: 0.8751906292914811
Energy: 0.83105672542952
Energy: 0.8751906292903682

minimum gb energy = 0.6100188446528519 eV
minimum distance =  2.31352056367687 Angstroms
sigma value = 67


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

Energy: 1.1078638298384897
Energy: 1.085621436429619
Energy: 1.1078638298408685
Energy: 1.085621436430412
Energy: 1.1078638298392827
Energy: 1.085621436431205
Energy: 1.0738640659413734
Energy: 1.0878649943138863
Energy: 1.0738640659405803
Energy: 1.0878649943138863
Energy: 1.0738640659413734
Energy: 1.0878649943130934
Energy: 1.1571026504495285
Energy: 1.0863365685686408
Energy: 1.1571026504503215
Energy: 1.0863365685686408
Energy: 1.1571026504503215
Energy: 1.0863365685686408
Energy: 1.0927114783612188
Energy: 1.1557536246850748
Energy: 1.0927114783612188
Energy: 1.1557536246850748
Energy: 1.092711478360426
Energy: 1.1557536246850748
Energy: 1.0827616228113168
Energy: 1.0872611159874328
Energy: 1.0827616228089385
Energy: 1.0872611159882257
Energy: 1.0827616228113168
Energy: 1.0872611159882257
Energy: 1.1442465039672711
Energy: 1.0839882429959966
Energy: 1.1442465039704426
Energy: 1.0839882429967898
Energy: 1.1442465039672711
Energy: 1.0839882429967898
Energy: 1.0843679430871758
Energy: 1.1200424985395248
Energy: 1.084367943084004
Energy: 1.1200424985395248
Energy: 1.0843679430871758
Energy: 1.1200424985395248
Energy: 1.1337931643960422
Energy: 1.0911524083982156
Energy: 1.1337931643960422
Energy: 1.0911524083982156
Energy: 1.1337931643952495
Energy: 1.0911524083982156
Energy: 1.1728818647999932
Energy: 1.1788802769017177
Energy: 1.172881864801579
Energy: 1.1788802769025108
Energy: 1.1728818647999932
Energy: 1.1788802769017177
Energy: 1.0798873605149693
Energy: 1.0657881308014139
Energy: 1.0798873605141763
Energy: 1.0657881308029993
Energy: 1.0798873605157622
Energy: 1.0657881308022066
Energy: 1.1367014971455658
Energy: 1.0924001845849636
Energy: 1.1367014971455658
Energy: 1.0924001845857565
Energy: 1.1367014971423943
Energy: 1.0924001845849636
Energy: 1.0799063878836548
Energy: 1.1200148937149692
Energy: 1.0799063878852406
Energy: 1.1200148937141763
Energy: 1.0799063878852406
Energy: 1.1200148937141763
Energy: 1.0791316321113742
Energy: 1.0766778490339026
Energy: 1.079131632112167
Energy: 1.0766778490339026
Energy: 1.079131632112167
Energy: 1.0766778490339026
Energy: 1.119245438218516
Energy: 1.0654827088432233
Energy: 1.119245438218516
Energy: 1.0654827088424303
Energy: 1.119245438218516
Energy: 1.0654827088432233
Energy: 1.0679266583090479
Energy: 1.0739825438241402
Energy: 1.0679266583114264
Energy: 1.073982543824933
Energy: 1.0679266583114264
Energy: 1.0739825438241402
Energy: 1.0686602678822894
Energy: 1.0910006729111834
Energy: 1.068660267879911
Energy: 1.0910006729111834
Energy: 1.0686602678807038
Energy: 1.0910006729111834
Energy: 1.1637893941920536
Energy: 1.0892546192481878
Energy: 1.163789394195225
Energy: 1.0892546192473953
Energy: 1.1637893941968107
Energy: 1.0892546192481878
Energy: 1.0656625253369219
Energy: 1.0679696636042009
Energy: 1.0656625253361292
Energy: 1.067969663603408
Energy: 1.0656625253361292
Energy: 1.0679696636042009
Energy: 1.084261290525707
Energy: 1.1386218277305162
Energy: 1.084261290524914
Energy: 1.1386218277305162
Energy: 1.084261290525707
Energy: 1.1386218277313092
Energy: 1.066452027577602
Energy: 1.0875519835918737
Energy: 1.066452027577602
Energy: 1.0875519835918737
Energy: 1.066452027577602
Energy: 1.0875519835910807
Energy: 1.1198269388397761
Energy: 1.0918890555236531
Energy: 1.1198269388397761
Energy: 1.0918890555236531
Energy: 1.119826938841362
Energy: 1.0918890555236531
Energy: 1.0936019932438183
Energy: 1.1808353629832713
Energy: 1.0936019932438183
Energy: 1.1808353629832713
Energy: 1.0936019932430254
Energy: 1.1808353629832713
Energy: 1.138370775473161
Energy: 1.0862327043868443
Energy: 1.1383707754707826
Energy: 1.0862327043860514
Energy: 1.1383707754723682
Energy: 1.0862327043868443

minimum gb energy = 1.0654827088424303 eV
minimum distance =  2.32770470779674 Angstroms
sigma value = 33


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

Energy: 1.2744308618446314
Energy: 1.298559845199076
Energy: 1.2744308618461404
Energy: 1.2985598451995792
Energy: 1.2744308618456373
Energy: 1.2985598451985731
Energy: 1.2593131675042524
Energy: 1.236644674653861
Energy: 1.2593131675052585
Energy: 1.236644674653861
Energy: 1.2593131675047553
Energy: 1.2366446746553703
Energy: 1.296512050966382
Energy: 1.2543689054420866
Energy: 1.296512050966885
Energy: 1.2543689054415836
Energy: 1.296512050966885
Energy: 1.2543689054420866
Energy: 1.2617880241528074
Energy: 1.3732597782426577
Energy: 1.2617880241523045
Energy: 1.3732597782401428
Energy: 1.2617880241523045
Energy: 1.3732597782396399
Energy: 1.30142331093905
Energy: 1.2357181355835842
Energy: 1.301423310941062
Energy: 1.2357181355835842
Energy: 1.301423310941565
Energy: 1.2357181355830813
Energy: 1.3483235464310246
Energy: 1.2833276684200567
Energy: 1.3483235464340428
Energy: 1.2833276684205597
Energy: 1.3483235464290126
Energy: 1.398353656898647
Energy: 1.2542850061365973
Energy: 1.3268050725406315
Energy: 1.2542850061340824
Energy: 1.3268050725406315
Energy: 1.2542850061355915
Energy: 1.3268050725411344
Energy: 1.357192296738269
Energy: 1.2923562594262281
Energy: 1.3571922967357541
Energy: 1.292356259426731
Energy: 1.357192296738269
Energy: 1.292356259427234
Energy: 1.2705668513566946
Energy: 1.3249494001202753
Energy: 1.2705668513571975
Energy: 1.3249494001207782
Energy: 1.2705668513571975
Energy: 1.3249494001207782
Energy: 1.242867636099555
Energy: 1.3053962925540794
Energy: 1.2428676360960338
Energy: 1.3053962925545823
Energy: 1.242867636098549
Energy: 1.305396292553622
Energy: 1.3385173209835883
Energy: 1.2348018432086876
Energy: 1.3385173209830854
Energy: 1.2348018432086876
Energy: 1.3385173209835883
Energy: 1.2348018432096934
Energy: 1.2556888795805452
Energy: 1.2805277531501702
Energy: 1.2556888795795391
Energy: 1.2805277531501702
Energy: 1.2556888795790362
Energy: 1.2805277531506731
Energy: 1.2411686683182659
Energy: 1.264036052900385
Energy: 1.2411686683187688
Energy: 1.264036052900385
Energy: 1.2411686683187688
Energy: 1.264036052900385
Energy: 1.261213255327272
Energy: 1.237307513702897
Energy: 1.261213255325763
Energy: 1.237307513702897
Energy: 1.2612132553282778
Energy: 1.237307513702897
Energy: 1.2470109196454333
Energy: 1.2759391198472576
Energy: 1.2470109196459362
Energy: 1.2759391198467545
Energy: 1.2470109196449304
Energy: 1.2759391198467545
Energy: 1.261147778420336
Energy: 1.3111459892229798
Energy: 1.261147778420336
Energy: 1.3111459892224768
Energy: 1.261147778419833
Energy: 1.3111459892209678
Energy: 1.302676660367715
Energy: 1.2547913050280968
Energy: 1.302676660367715
Energy: 1.2547913050285997
Energy: 1.3026766603667086
Energy: 1.2547913050285997
Energy: 1.3079215886846125
Energy: 1.3571818940841753
Energy: 1.3079215886815942
Energy: 1.3571818940856843
Energy: 1.3079215886856184
Energy: 1.3571818940811573
Energy: 1.2623697044915263
Energy: 1.3358812713722106
Energy: 1.2623697044915263
Energy: 1.3358812713722106
Energy: 1.2623697044920292
Energy: 1.3358812713707016
Energy: 1.346036844432321
Energy: 1.2366483899948677
Energy: 1.3460368444318176
Energy: 1.2366483899963765
Energy: 1.3460368444287998
Energy: 1.2366483899948677
Energy: 1.2579857778864092
Energy: 1.3269822163315683
Energy: 1.2579857778849002
Energy: 1.3269822163320713
Energy: 1.2579857778843972
Energy: 1.3269822163320713
Energy: 1.2456998688936844
Energy: 1.2827680884418078
Energy: 1.2456998688916727
Energy: 1.2827680884418078
Energy: 1.2456998688926786
Energy: 1.2827680884423107
Energy: 1.3772282956530353
Energy: 1.2349927636416704
Energy: 1.377228295654544
Energy: 1.2349927636426763
Energy: 1.377228295654544
Energy: 1.2349927636421734
Energy: 1.2439147238735044
Energy: 1.2721731728000054
Energy: 1.2439147238735044
Energy: 1.2721731728000054
Energy: 1.2439147238740074
Energy: 1.2721731728005086
Energy: 1.2580526123816287
Energy: 1.2731589232505665
Energy: 1.2580526123821318
Energy: 1.2731589232505665
Energy: 1.2580526123826348
Energy: 1.2731589232510696
Energy: 1.3404867311203843
Energy: 1.2724154279711681
Energy: 1.3404867311158575
Energy: 1.2724154279711681
Energy: 1.3404867311153543
Energy: 1.272415427971671
Energy: 1.254785070511297
Energy: 1.2831534472923531
Energy: 1.254785070512806
Energy: 1.2831534472933592
Energy: 1.254785070511297
Energy: 1.2831534472923531
Energy: 1.2386136522133273
Energy: 1.3677713057049639
Energy: 1.2386136522118183
Energy: 1.3677713057109997
Energy: 1.2386136522128244
Energy: 1.367771305706976
Energy: 1.3563299286563937
Energy: 1.235106148865772
Energy: 1.3563299286553876
Energy: 1.2351061488647659
Energy: 1.3563299286573995
Energy: 1.2351061488647659
Energy: 1.2604726083102338
Energy: 1.3236704116000115
Energy: 1.2604726083107367
Energy: 1.3236704116035323
Energy: 1.2604726083107367
Energy: 1.3236704116045381
Energy: 1.3651484836196788
Energy: 1.3726731804125372
Energy: 1.3651484836201817
Energy: 1.3726731804130403
Energy: 1.3651484836201817
Energy: 1.3726731804135432
Energy: 1.301739014116663
Energy: 1.2363535586070882
Energy: 1.30173901411616
Energy: 1.236353558607591
Energy: 1.301739014115154
Energy: 1.236353558607591
Energy: 1.2638306089099318
Energy: 1.3114084342500951
Energy: 1.263830608910938
Energy: 1.3114084342511012
Energy: 1.2638306089114408
Energy: 1.3114084342505983
Energy: 1.2521972135182948
Energy: 1.238115464164541
Energy: 1.252197213518798
Energy: 1.238115464164541
Energy: 1.252197213519301
Energy: 1.238115464164541
Energy: 1.271796089370186
Energy: 1.2543671133940515
Energy: 1.271796089371192
Energy: 1.2543671133950578
Energy: 1.271796089370186
Energy: 1.2543671133940515
Energy: 1.2435357133558291
Energy: 1.2502548763522205
Energy: 1.243535713356835
Energy: 1.2502548763517176
Energy: 1.2435357133558291
Energy: 1.2502548763527237
Energy: 1.2604055261934166
Energy: 1.2635411851212102
Energy: 1.2604055261939195
Energy: 1.263541185121713
Energy: 1.2604055261954286
Energy: 1.263541185121713

minimum gb energy = 1.2348018432086876 eV
minimum distance =  2.2942965504532 Angstroms
sigma value = 41


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

Energy: 1.5692296972962279
Energy: 1.5637782914140745
Energy: 1.5692296972962279
Energy: 1.5637782914140745
Energy: 1.5692296972976012
Energy: 1.5637782914140745
Energy: 1.5932763514658717
Energy: 1.5495526637316435
Energy: 1.5932763514658717
Energy: 1.5495526637316435
Energy: 1.5932763514658717
Energy: 1.5495526637302701
Energy: 1.7152069488032011
Energy: 1.5448484391507682
Energy: 1.7152069488032011
Energy: 1.5448484391507682
Energy: 1.7152069488018276
Energy: 1.5448484391507682
Energy: 1.537542960847304
Energy: 1.6769878332395491
Energy: 1.5375429608459306
Energy: 1.6769878332381754
Energy: 1.5375429608459306
Energy: 1.6769878332395491
Energy: 1.6723778631352146
Energy: 1.5670062105447535
Energy: 1.6723778631352146
Energy: 1.5670062105461267
Energy: 1.6723778631352146
Energy: 1.5670062105447535
Energy: 1.6942572410155186
Energy: 1.6744469793089714
Energy: 1.6942572410196386
Energy: 1.6744469793089714
Energy: 1.6942572410155186
Energy: 1.6744469793103447
Energy: 1.55100893145232
Energy: 1.5937675914881781
Energy: 1.55100893145232
Energy: 1.5937675914895513
Energy: 1.55100893145232
Energy: 1.5937675914881781
Energy: 1.6029286516206604
Energy: 1.5501140287496993
Energy: 1.6029286516206604
Energy: 1.5501140287496993
Energy: 1.6029286516206604
Energy: 1.5501140287496993
Energy: 1.606654088976152
Energy: 1.5979518639983081
Energy: 1.606654088976152
Energy: 1.5979518639983081
Energy: 1.606654088974779
Energy: 1.5979518639983081
Energy: 1.5366131222378883
Energy: 1.6056135569176173
Energy: 1.5366131222392616
Energy: 1.6056135569176173
Energy: 1.5366131222378883
Energy: 1.6056135569176173
Energy: 1.649392996452824
Energy: 1.5451929690567052
Energy: 1.649392996452824
Energy: 1.5451929690567052
Energy: 1.6493929964541973
Energy: 1.5451929690567052
Energy: 1.6135546361798863
Energy: 1.5373403421357337
Energy: 1.6135546361812594
Energy: 1.5373403421357337
Energy: 1.6135546361798863
Energy: 1.5373403421357337
Energy: 1.5790396196386074
Energy: 1.6759868935892865
Energy: 1.5790396196386074
Energy: 1.6759868935906597
Energy: 1.5790396196386074
Energy: 1.6759868935906597
Energy: 1.6724411871085527
Energy: 1.5501347533048202
Energy: 1.6724411871085527
Energy: 1.5501347533048202
Energy: 1.6724411871071794
Energy: 1.5501347533048202

minimum gb energy = 1.5366131222378883 eV
minimum distance =  2.29578349585305 Angstroms
sigma value = 11


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

Energy: 1.863745910061663
Energy: 1.8902094894424766
Energy: 1.8637459100610598
Energy: 1.8902094894424766
Energy: 1.8637459100610598
Energy: 1.8902094894424766
Energy: 1.8540049235384217
Energy: 1.807565879444518
Energy: 1.8540049235384217
Energy: 1.807565879445121
Energy: 1.8540049235384217
Energy: 1.807565879445121
Energy: 1.9637657009751144
Energy: 1.8181107394264615
Energy: 1.9637657009763212
Energy: 1.8181107394264615
Energy: 1.963765700973908
Energy: 1.8181107394270648
Energy: 1.8132686510122193
Energy: 1.9189971331026578
Energy: 1.813268651011616
Energy: 1.9189971331038644
Energy: 1.8132686510122193
Energy: 1.9189971331038644
Energy: 1.953370745340809
Energy: 1.8367377001077654
Energy: 1.953370745345032
Energy: 1.8367377001077654
Energy: 1.9533707453444287
Energy: 1.8367377001083682
Energy: 1.8144460035771575
Energy: 1.8976828389949558
Energy: 1.8144460035771575
Energy: 1.897682838995559
Energy: 1.814446003577761
Energy: 1.897682838995559
Energy: 1.8227695661089482
Energy: 1.9591488946548306
Energy: 1.822769566105932
Energy: 1.9591488946572437
Energy: 1.822769566108345
Energy: 1.9591488946590536
Energy: 1.9063273623540025
Energy: 1.8136366581728796
Energy: 1.9063273623527959
Energy: 1.8136366581722765
Energy: 1.9063273623540025
Energy: 1.8136366581728796
Energy: 1.9135150244785721
Energy: 1.8128558296320343
Energy: 1.9135150244791754
Energy: 1.8128558296314308
Energy: 1.9135150244791754
Energy: 1.8128558296320343
Energy: 1.8339144640644758
Energy: 1.9605653800650527
Energy: 1.8339144640638725
Energy: 1.960565380065656
Energy: 1.8339144640638725
Energy: 1.960565380065656
Energy: 1.851994664399171
Energy: 1.8456067625400476
Energy: 1.851994664399171
Energy: 1.8456067625400476
Energy: 1.8519946644003775
Energy: 1.8456067625406511
Energy: 1.8925069897220201
Energy: 1.890992932235316
Energy: 1.8925069897226234
Energy: 1.8909929322347125
Energy: 1.8925069897220201
Energy: 1.890992932235316
Energy: 1.8138199537070876
Energy: 1.9256088799917004
Energy: 1.8138199537070876
Energy: 1.9256088799917004
Energy: 1.8138199537076911
Energy: 1.9256088799917004
Energy: 1.9778210018608147
Energy: 1.8087189902892076
Energy: 1.9778210018596079
Energy: 1.8087189902898109
Energy: 1.9778210018584013
Energy: 1.8087189902892076
Energy: 1.8899301045659673
Energy: 1.8417476974970124
Energy: 1.889930104565364
Energy: 1.8417476974976152
Energy: 1.8899301045659673
Energy: 1.8417476974982185
Energy: 1.8501853414981169
Energy: 1.9182578072192127
Energy: 1.8501853414987204
Energy: 1.9182578072216254
Energy: 1.8501853414981169
Energy: 1.9182578072186092
Energy: 1.9190873821695935
Energy: 1.827113812513722
Energy: 1.9190873821695935
Energy: 1.827113812513722
Energy: 1.9190873821701968
Energy: 1.8271138125143254
Energy: 1.877057852241426
Energy: 1.8947115395789058
Energy: 1.877057852241426
Energy: 1.894711539579509
Energy: 1.877057852241426
Energy: 1.8947115395789058
Energy: 1.824294637506068
Energy: 1.8831458250996722
Energy: 1.8242946375066715
Energy: 1.883145825099069
Energy: 1.8242946375072748
Energy: 1.8831458250996722
Energy: 1.9168648811934366
Energy: 1.8475537661441679
Energy: 1.9168648811952467
Energy: 1.8475537661435646
Energy: 1.9168648811928335
Energy: 1.8475537661441679
Energy: 1.8282088727163603
Energy: 1.9097072769434311
Energy: 1.8282088727169636
Energy: 1.9097072769434311
Energy: 1.8282088727169636
Energy: 1.9097072769440344
Energy: 1.815081639976571
Energy: 1.9276179391796893
Energy: 1.815081639976571
Energy: 1.9276179391796893
Energy: 1.8150816399759675
Energy: 1.9276179391808959
Energy: 1.9493993586516067
Energy: 1.819295730654666
Energy: 1.9493993586522098
Energy: 1.819295730654666
Energy: 1.9493993586528133
Energy: 1.819295730654666
Energy: 1.9256468853699942
Energy: 1.8066636719732023
Energy: 1.9256468853712008
Energy: 1.8066636719732023
Energy: 1.9256468853712008
Energy: 1.8066636719725992
Energy: 1.831823523134763
Energy: 1.9301217918707978
Energy: 1.83182352313416
Energy: 1.9301217918707978
Energy: 1.831823523134763
Energy: 1.9301217918720044
Energy: 1.9058886045510959
Energy: 1.8483398895206526
Energy: 1.9058886045468728
Energy: 1.8483398895206526
Energy: 1.9058886045486825
Energy: 1.8483398895206526
Energy: 1.8254823764545298
Energy: 1.975550249720432
Energy: 1.8254823764545298
Energy: 1.975550249719829
Energy: 1.8254823764539265
Energy: 1.975550249719829
Energy: 1.8066982684111728
Energy: 1.8952377999311594
Energy: 1.8066982684123796
Energy: 1.8952377999311594
Energy: 1.8066982684117763
Energy: 1.8952377999311594
Energy: 1.9188832778175968
Energy: 1.8358242735680095
Energy: 1.9188832778169935
Energy: 1.8358242735686126
Energy: 1.9188832778169935
Energy: 1.8358242735680095
Energy: 1.8589200393952319
Energy: 1.8185573191244793
Energy: 1.8589200393946284
Energy: 1.8185573191244793
Energy: 1.8589200393940255
Energy: 1.8185573191244793
Energy: 1.8275299192894292
Energy: 1.9447552016907401
Energy: 1.8275299192900325
Energy: 1.9447552016901368
Energy: 1.8275299192900325
Energy: 1.9447552016925498

minimum gb energy = 1.8066636719725992 eV
minimum distance =  2.25127774279857 Angstroms
sigma value = 57


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

Energy: 1.930973264068375
Energy: 2.1511682903434663
Energy: 1.930973264068375
Energy: 2.15116829034454
Energy: 1.930973264068375
Energy: 2.1511682903434663
Energy: 1.9279641795528428
Energy: 1.970787177980121
Energy: 1.9279641795528428
Energy: 1.970787177980121
Energy: 1.9279641795528428
Energy: 1.9707871779790471
Energy: 2.102868643859428
Energy: 1.967566991523724
Energy: 2.1028686438615756
Energy: 1.967566991523724
Energy: 2.1028686438583546
Energy: 1.9675669915226504
Energy: 1.9143024143546874
Energy: 2.160073177500939
Energy: 1.9143024143546874
Energy: 2.1600731774998656
Energy: 1.9143024143546874
Energy: 2.1600731774998656
Energy: 2.1028485743510483
Energy: 1.9676244478112903
Energy: 2.1028485743499754
Energy: 1.9676244478102172
Energy: 2.1028485743510483
Energy: 1.9676244478112903
Energy: 1.9279553848308613
Energy: 1.9794392128641645
Energy: 1.9279553848308613
Energy: 1.9794392128641645
Energy: 1.927955384829788
Energy: 1.9794392128641645
Energy: 1.930973264070522
Energy: 2.15116829034454
Energy: 1.9309732640694486
Energy: 2.15116829034454
Energy: 1.930973264070522
Energy: 2.1511682903434663
Energy: 1.9279641795528428
Energy: 1.9707871779811943
Energy: 1.9279641795528428
Energy: 1.970787177980121
Energy: 1.9279641795517692
Energy: 1.970787177980121
Energy: 2.102868643859428
Energy: 1.967566991523724
Energy: 2.1028686438615756
Energy: 1.967566991523724
Energy: 2.1028686438605018
Energy: 1.967566991523724
Energy: 1.9143024143546874
Energy: 2.120213914189452
Energy: 1.9143024143546874
Energy: 2.120213914189452
Energy: 1.9143024143536138
Energy: 2.120213914189452
Energy: 2.1028485743499754
Energy: 1.9676244478112903
Energy: 2.102848574352122
Energy: 1.9676244478112903
Energy: 2.102848574352122
Energy: 1.9676244478102172
Energy: 1.9279553848244197
Energy: 1.9560903299883416
Energy: 1.9279553848265674
Energy: 1.956090329987268
Energy: 1.9279553848244197
Energy: 1.956090329989415
Energy: 1.930973264070522
Energy: 2.15116829034454
Energy: 1.930973264070522
Energy: 2.1511682903434663
Energy: 1.9309732640694486
Energy: 2.15116829034454
Energy: 1.9279641795539166
Energy: 1.970787177980121
Energy: 1.9279641795539166
Energy: 1.970787177980121
Energy: 1.9279641795528428
Energy: 1.9707871779811943
Energy: 2.102868643859428
Energy: 1.9675669915215765
Energy: 2.1028686438615756
Energy: 1.9675669915215765
Energy: 2.102868643859428
Energy: 1.9675669915215765
Energy: 1.9143024143546874
Energy: 2.0863542352969464
Energy: 1.9143024143536138
Energy: 2.086354235295873
Energy: 1.9143024143546874
Energy: 2.0863542352969464
Energy: 2.102848574352122
Energy: 1.9676244478112903
Energy: 2.102848574352122
Energy: 1.9676244478112903
Energy: 2.1028485743510483
Energy: 1.9676244478112903

minimum gb energy = 1.9143024143536138 eV
minimum distance =  2.25970025439948 Angstroms
sigma value = 9


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

Energy: 2.0048424779276877
Energy: 2.0294636574859233
Energy: 2.004842477926811
Energy: 2.029463657485047
Energy: 2.0048424779259344
Energy: 2.0294636574859233
Energy: 2.03610954239902
Energy: 2.0176140486650525
Energy: 2.03610954239902
Energy: 2.017614048665929
Energy: 2.0361095423981435
Energy: 2.017614048665929
Energy: 2.0900056638693245
Energy: 1.9893809994201113
Energy: 2.0900056638693245
Energy: 1.989380999420988
Energy: 2.090005663870201
Energy: 1.9893809994201113
Energy: 1.9327122779820411
Energy: 2.1530119893184407
Energy: 1.9327122779811645
Energy: 2.1530119893193174
Energy: 1.9327122779811645
Energy: 2.1530119893184407
Energy: 2.02932574177078
Energy: 1.9790480583759897
Energy: 2.029325741772533
Energy: 1.9790480583742367
Energy: 2.0293257417716566
Energy: 1.9790480583742367
Energy: 2.078333082773351
Energy: 1.9529306749358135
Energy: 2.078333082773351
Energy: 1.9529306749358135
Energy: 2.078333082773351
Energy: 1.9529306749358135
Energy: 1.9281584306937591
Energy: 2.097551865669468
Energy: 1.9281584306928823
Energy: 2.097551865669468
Energy: 1.9281584306937591
Energy: 2.0975518656712207
Energy: 1.9237316219613103
Energy: 2.0819597611689824
Energy: 1.9237316219613103
Energy: 2.0819597611689824
Energy: 1.9237316219613103
Energy: 2.0819597611689824
Energy: 2.147985364406222
Energy: 1.9784698169246124
Energy: 2.1479853644027154
Energy: 1.978469816922859
Energy: 2.147985364406222
Energy: 1.9784698169237354
Energy: 1.9329260805710713
Energy: 2.0663093956777585
Energy: 1.9329260805701944
Energy: 2.0663093956777585
Energy: 1.9329260805701944
Energy: 2.0663093956777585
Energy: 2.0442400636246236
Energy: 2.038528704716745
Energy: 2.044240063623747
Energy: 2.038528704715868
Energy: 2.0442400636255
Energy: 2.038528704717621
Energy: 2.109091931398431
Energy: 1.9534462188241566
Energy: 2.109091931398431
Energy: 1.9534462188241566
Energy: 2.109091931398431
Energy: 1.9534462188241566
Energy: 1.925643916258919
Energy: 2.119017562032021
Energy: 1.925643916256289
Energy: 2.119017562032021
Energy: 1.925643916258919
Energy: 2.119017562031144
Energy: 2.0287674752205995
Energy: 2.0850791663403583
Energy: 2.0287674752188463
Energy: 2.085079166334222
Energy: 2.0287674752188463
Energy: 2.0850791663394816
Energy: 2.101351125153991
Energy: 1.9491155038164933
Energy: 2.1013511251548675
Energy: 1.9491155038164933
Energy: 2.1013511251548675
Energy: 1.9491155038156167
Energy: 2.0014552765597617
Energy: 2.1173378581209366
Energy: 2.001455276558008
Energy: 2.117337858117431
Energy: 2.001455276558008
Energy: 2.1173378581218136
Energy: 2.0007285003105566
Energy: 2.1278735203353594
Energy: 2.0007285003114332
Energy: 2.1278735203344827
Energy: 2.0007285003114332
Energy: 2.1278735203362356
Energy: 2.3036385710404037
Energy: 1.9521433404490798
Energy: 2.30363857101586
Energy: 1.9521433404499562
Energy: 2.30363857104128
Energy: 1.9521433404490798
Energy: 1.956520494212742
Energy: 2.096570557631278
Energy: 1.9565204942118655
Energy: 2.096570557632155
Energy: 1.9565204942118655
Energy: 2.096570557631278
Energy: 1.9899245874584213
Energy: 2.011132351865304
Energy: 1.9899245874584213
Energy: 2.0111323518661806
Energy: 1.9899245874584213
Energy: 2.0111323518661806
Energy: 2.1064544601999686
Energy: 1.959437943975617
Energy: 2.106454460202598
Energy: 1.959437943975617
Energy: 2.106454460205228
Energy: 1.959437943975617

minimum gb energy = 1.9237316219613103 eV
minimum distance =  2.26149576808231 Angstroms
sigma value = 27


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

Energy: 2.065842160958132
Energy: 2.069852143536448
Energy: 1.9836397750154149
Energy: 2.069852143537187
Energy: 2.065842160958132
Energy: 2.069852143539404
Energy: 2.063909727488817
Energy: 1.9716282369205704
Energy: 2.0639097274873395
Energy: 1.9716282369213094
Energy: 2.063909727484384
Energy: 1.9716282369190925
Energy: 2.0506603055074315
Energy: 2.013718752454514
Energy: 2.0506603055066925
Energy: 2.013718752454514
Energy: 2.0506603055074315
Energy: 2.0137187524552527
Energy: 2.01230290645411
Energy: 2.1365009510140767
Energy: 2.0123029064533706
Energy: 2.1365009510140767
Energy: 2.0123029064533706
Energy: 2.1365009510140767
Energy: 1.9675809442882146
Energy: 1.967285706453138
Energy: 1.9675809442874759
Energy: 1.967285706453138
Energy: 1.9675809442911698
Energy: 1.967285706447227
Energy: 2.0699738461106003
Energy: 1.9731528468145219
Energy: 2.0699738461091224
Energy: 1.9731528468145219
Energy: 2.0699738461106003
Energy: 1.9731528468174777
Energy: 1.9818883991941456
Energy: 2.061210415283682
Energy: 1.9818883991934066
Energy: 2.061210415281465
Energy: 1.9818883991934066
Energy: 2.0612104152866375
Energy: 2.229127565313486
Energy: 2.0486527479621466
Energy: 2.22912756531053
Energy: 2.0486527479628855
Energy: 2.229127565312008
Energy: 2.048652747961408
Energy: 1.9388013731247689
Energy: 1.9739220550171037
Energy: 1.9388013731225524
Energy: 1.9739220550171037
Energy: 1.93880137312403
Energy: 1.9739220550126704
Energy: 1.971442248229024
Energy: 1.9580605274332101
Energy: 1.971442248228285
Energy: 1.9580605274332101
Energy: 1.971442248229024
Energy: 1.9580605274324712
Energy: 1.9717482573750778
Energy: 2.010880031854354
Energy: 1.97174825738025
Energy: 2.0108800318536146
Energy: 1.9717482573750778
Energy: 2.0108800318558315
Energy: 2.0697830983065746
Energy: 1.9740466325079757
Energy: 2.069783098299925
Energy: 1.974046632507237
Energy: 2.0697830983058356
Energy: 1.974046632507237
Energy: 2.0519063084175015
Energy: 2.180011793078753
Energy: 2.0519063084175015
Energy: 2.1800117930817082
Energy: 2.0519063084167626
Energy: 2.1800117930780143
Energy: 1.9821927243158173
Energy: 1.9407453399821142
Energy: 1.982192724317295
Energy: 1.940745339982853
Energy: 1.9821927243158173
Energy: 1.9407453399858083
Energy: 2.0905399601534
Energy: 1.9734830887525154
Energy: 2.090539960151183
Energy: 1.9734830887525154
Energy: 2.0905399601526615
Energy: 1.9734830887503325
Energy: 1.9713582508212506
Energy: 1.966943030052609
Energy: 1.9713582508197731
Energy: 1.966943030052609
Energy: 1.9713582508219896
Energy: 1.9669430300511308
Energy: 2.0126307705010693
Energy: 2.0551575987805024
Energy: 2.0126307705136304
Energy: 2.0551575987805024
Energy: 2.0126307704995914
Energy: 2.055157598779025
Energy: 2.1338653452223935
Energy: 2.012284861983774
Energy: 2.1338653452209155
Energy: 2.0122848619845124
Energy: 2.1338653452231324
Energy: 2.0122848619904232
Energy: 2.010199008656242
Energy: 1.972815413180368
Energy: 1.9404283768020785
Energy: 1.972815413180368
Energy: 2.010199008656242
Energy: 1.9728154131848012
Energy: 2.065842160958132
Energy: 2.069852143537187
Energy: 1.983639775013937
Energy: 2.069852143537926
Energy: 2.065842160958132
Energy: 2.069852143539404
Energy: 2.063909727490295
Energy: 1.9716282369220481
Energy: 2.0639097274939893
Energy: 1.9716282369220481
Energy: 2.0639097274895564
Energy: 1.9716282369176148
Energy: 2.050660305508171
Energy: 2.013718752453036
Energy: 2.0506603055089094
Energy: 2.0137187524522973
Energy: 2.0506603055074315
Energy: 2.013718752454514
Energy: 2.0123029064533706
Energy: 2.1365009510155546
Energy: 2.0123029064533706
Energy: 2.1365009510155546
Energy: 2.01230290645411
Energy: 2.1365009510162936
Energy: 1.9675809442911698
Energy: 1.967285706452399
Energy: 1.9675809442919092
Energy: 1.967285706453138
Energy: 1.9675809442882146
Energy: 1.9672857064494436
Energy: 2.069973846115033
Energy: 1.9731528468159996
Energy: 2.0699738461106003
Energy: 1.9731528468159996
Energy: 2.069973846115033
Energy: 1.9731528468167385

minimum gb energy = 1.9388013731225524 eV
minimum distance =  2.27475922254867 Angstroms
sigma value = 19


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

Energy: 2.0039302818817113
Energy: 2.0569758362610897
Energy: 2.0039302818804354
Energy: 2.0569758362610897
Energy: 2.0039302818804354
Energy: 2.0569758362617274
Energy: 1.9531931024958487
Energy: 1.944846795875708
Energy: 1.9531931024964577
Energy: 1.944846795875708
Energy: 1.9531931024958487
Energy: 1.944846795875708
Energy: 1.976792176652899
Energy: 1.9229223910704407
Energy: 1.976792176652899
Energy: 1.9229223910704407
Energy: 1.976792176653537
Energy: 1.9229223910704407
Energy: 1.9276368859641715
Energy: 1.9663789849761293
Energy: 1.9276368859622581
Energy: 1.9663789849767668
Energy: 1.9276368859622581
Energy: 1.9663789849761293
Energy: 1.9371385854254786
Energy: 1.9799116338792475
Energy: 1.9371385854254786
Energy: 1.9799116338798852
Energy: 1.9371385854248406
Energy: 1.9799116338786096
Energy: 1.9786946997690775
Energy: 1.9459092410886716
Energy: 1.9786946997684396
Energy: 1.9459092410912227
Energy: 1.9786946997684396
Energy: 1.9459092410918606
Energy: 1.9220919258481897
Energy: 1.963497047965579
Energy: 1.922091925847552
Energy: 1.9634970479649407
Energy: 1.922091925847552
Energy: 1.9634970479649407
Energy: 1.9356144393697752
Energy: 1.9772133180430207
Energy: 1.9356144393697752
Energy: 1.9772133180436586
Energy: 1.9356144393704127
Energy: 1.9772133180423828
Energy: 2.0521593287457676
Energy: 1.92188198650937
Energy: 2.052159328743854
Energy: 1.92188198650937
Energy: 2.0521593287457676
Energy: 1.92188198650937
Energy: 1.9544749362981457
Energy: 1.9615724981191236
Energy: 1.9544749362975082
Energy: 1.9615724981210372
Energy: 1.9544749362975082
Energy: 1.96157249811721
Energy: 1.9294410680522525
Energy: 2.037977194689644
Energy: 1.9294410680516147
Energy: 2.0379771946953844
Energy: 1.9294410680516147
Energy: 2.0379771946953844
Energy: 1.9968447071408284
Energy: 1.9253425243022069
Energy: 1.9968447071408284
Energy: 1.9253425243022069
Energy: 1.9968447071408284
Energy: 1.9253425243022069
Energy: 1.9262828676484918
Energy: 1.9538088037031083
Energy: 1.9262828676465786
Energy: 1.9538088037005572
Energy: 1.9262828676472163
Energy: 1.953808803701195
Energy: 1.9256431554469977
Energy: 1.959513645295434
Energy: 1.9256431554450844
Energy: 1.959513645295434
Energy: 1.9256431554412574
Energy: 1.959513645295434
Energy: 2.0121267463854924
Energy: 1.9210405636793433
Energy: 2.012126746386768
Energy: 1.9210405636723273
Energy: 2.012126746386768
Energy: 1.921040563672965
Energy: 2.005494530846168
Energy: 1.9127894916530885
Energy: 2.0054945308468057
Energy: 1.9127894916524506
Energy: 2.0054945308493575
Energy: 1.9127894916530885
Energy: 1.929506111937645
Energy: 1.9997462663362386
Energy: 1.929506111937645
Energy: 1.9997462663362386
Energy: 1.929506111937645
Energy: 1.9997462663362386
Energy: 1.9957724613388688
Energy: 1.963521222914011
Energy: 1.9957724613382308
Energy: 1.9635212229146488
Energy: 1.9957724613382308
Energy: 1.9635212229152867
Energy: 1.9857821649995873
Energy: 1.9496493957855923
Energy: 1.9857821649989493
Energy: 1.9496493957855923
Energy: 1.9857821650002252
Energy: 1.9496493957849543
Energy: 1.9253578814739674
Energy: 1.987411611186499
Energy: 1.9253578814720542
Energy: 1.987411611187137
Energy: 1.92535788147333
Energy: 1.987411611186499
Energy: 1.9150146010514304
Energy: 2.010711485276061
Energy: 1.9150146010514304
Energy: 2.010711485276061
Energy: 1.915014601052068
Energy: 2.0107114852741477
Energy: 2.056937809820342
Energy: 1.910131819843512
Energy: 2.0569378098133257
Energy: 1.910131819842236
Energy: 2.056937809815877
Energy: 1.9101318198415984
Energy: 1.9745815907915796
Energy: 1.9730322762938852
Energy: 1.974581590786477
Energy: 1.9730322762945232
Energy: 1.974581590787753
Energy: 1.9730322762932477
Energy: 1.9786748224978765
Energy: 1.9685256395709891
Energy: 1.9786748224985145
Energy: 1.968525639569076
Energy: 1.9786748224985145
Energy: 1.9685256395678
Energy: 1.957065271547064
Energy: 1.9216970472562724
Energy: 1.9570652715483396
Energy: 1.9216970472562724
Energy: 1.957065271547064
Energy: 1.9216970472562724
Energy: 1.951506692544439
Energy: 1.9780067619667663
Energy: 1.9515066925450768
Energy: 1.9780067619667663
Energy: 1.9515066925450768
Energy: 1.9780067619705932
Energy: 1.9109254074927862
Energy: 2.0110464211086674
Energy: 1.9109254074927862
Energy: 2.0110464211093055
Energy: 1.9109254074921482
Energy: 2.0110464211086674
Energy: 1.9901544669080775
Energy: 1.9442686693107976
Energy: 1.9901544669087154
Energy: 1.9442686693107976
Energy: 1.9901544669093536
Energy: 1.9442686693107976
Energy: 1.915812249639228
Energy: 1.9524703623758841
Energy: 1.9158122496398657
Energy: 1.952470362376522
Energy: 1.9158122496405037
Energy: 1.9524703623758841

minimum gb energy = 1.9101318198415984 eV
minimum distance =  2.22515135915909 Angstroms
sigma value = 101


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

Energy: 1.9842930699014714
Energy: 1.9156149546923995
Energy: 1.9842930699009105
Energy: 1.9156149546918384
Energy: 1.9842930699009105
Energy: 1.9156149546923995
Energy: 1.9135990428874914
Energy: 1.8819236711727885
Energy: 1.91359904288637
Energy: 1.8819236711722276
Energy: 1.9135990428790817
Energy: 1.8919612428035104
Energy: 1.9022141697734725
Energy: 1.8796203987476319
Energy: 1.902214169771791
Energy: 1.8796203987476319
Energy: 1.9022141697729118
Energy: 1.8796203987476319
Energy: 1.8480180260108627
Energy: 1.9349289326355479
Energy: 1.8480180260114232
Energy: 1.9349289326366694
Energy: 1.8480180260114232
Energy: 1.93492893263723
Energy: 1.8672314899742009
Energy: 1.889936259819524
Energy: 1.86723148997308
Energy: 1.8899362598200846
Energy: 1.8672314899702764
Energy: 1.889936259817842
Energy: 1.872848251693338
Energy: 1.8898753553292733
Energy: 1.872848251693338
Energy: 1.8898753553287126
Energy: 1.872848251692777
Energy: 1.8898753553287126
Energy: 1.867651106761385
Energy: 1.9181928540542559
Energy: 1.8676511067619455
Energy: 1.9181928540542559
Energy: 1.8676511067636274
Energy: 1.9181928540542559
Energy: 1.8582697743024315
Energy: 1.9570938663384991
Energy: 1.85826977430131
Energy: 1.957093866337938
Energy: 1.85826977430131
Energy: 1.9570938663384991
Energy: 1.8734979473873816
Energy: 1.8713308029311346
Energy: 1.8734979473885027
Energy: 1.8713308029305737
Energy: 1.8734979473885027
Energy: 1.8713308029311346
Energy: 1.886634578968824
Energy: 1.8815931271100366
Energy: 1.8866345789705057
Energy: 1.881593127110597
Energy: 1.8866345789705057
Energy: 1.881593127110597
Energy: 1.8615220549524198
Energy: 2.1376188117859054
Energy: 1.8615220549529807
Energy: 2.137618811790391
Energy: 1.8615220549529807
Energy: 2.137618811788709
Energy: 1.9254532387609402
Energy: 1.8817404994562297
Energy: 1.9254532387620618
Energy: 1.8817404994567903
Energy: 1.9254532387643042
Energy: 1.8817404994579119
Energy: 1.8548483518502157
Energy: 1.8771038934665887
Energy: 1.8548483518502157
Energy: 1.8771038934665887
Energy: 1.8548483518513372
Energy: 1.8771038934665887
Energy: 1.8925609402657462
Energy: 1.9512018476934545
Energy: 1.8925609402651857
Energy: 2.0265966569121208
Energy: 1.8925609402657462
Energy: 2.026596656913242
Energy: 1.8881218170553569
Energy: 1.8851593765104455
Energy: 1.8881218170564784
Energy: 1.8851593765093244
Energy: 1.8881218170570389
Energy: 1.8851593765098849
Energy: 1.9032794463053246
Energy: 1.8825988318368776
Energy: 1.903279446304764
Energy: 1.8825988318374385
Energy: 1.9032794463036429
Energy: 1.8825988318374385
Energy: 1.8498911055653244
Energy: 1.9350521434729826
Energy: 1.8498911055664458
Energy: 1.9350521434757857
Energy: 1.8498911055653244
Energy: 1.9350521434752253
Energy: 1.8562649651349248
Energy: 1.878817123109717
Energy: 1.856264965136607
Energy: 1.878817123111399
Energy: 1.856264965136607
Energy: 1.87881712311196
Energy: 1.8722506561094405
Energy: 1.8712084766202208
Energy: 1.8722506561094405
Energy: 1.8712084766196602
Energy: 1.8722506561094405
Energy: 1.8712084766196602
Energy: 1.8881563828664585
Energy: 1.8826966990628369
Energy: 1.8881563828664585
Energy: 1.8826966990611549
Energy: 1.8881563828658976
Energy: 1.8826966990605942
Energy: 1.8579530606435937
Energy: 2.1029298767040427
Energy: 1.8579530606447148
Energy: 2.1029298767040427
Energy: 1.8579530606452759
Energy: 2.1029298767051636
Energy: 1.9622432459752794
Energy: 1.8695683400045828
Energy: 1.9622432459769614
Energy: 1.8695683400045828
Energy: 1.9622432459780828
Energy: 1.8695683400045828
Energy: 1.9515863217881553
Energy: 1.8761990221473568
Energy: 1.951586321788716
Energy: 1.8761990221467961
Energy: 1.9515863217903977
Energy: 1.8761990221467961
Energy: 1.8490391118385106
Energy: 1.981309385834078
Energy: 1.8490391118385106
Energy: 1.9501918421507356
Energy: 1.8490391118396317
Energy: 2.000021573003603
Energy: 1.924492354888725
Energy: 1.8841058024212565
Energy: 1.924492354888164
Energy: 1.8841058024206958
Energy: 1.924492354888725
Energy: 1.8841058024218174
Energy: 1.85615578451274
Energy: 1.881879420557676
Energy: 1.85615578451274
Energy: 1.8818794205498266
Energy: 1.8561557845138612
Energy: 1.8818794205587972
Energy: 1.8948678033508861
Energy: 1.9523009350553353
Energy: 1.8948678033475221
Energy: 1.9523009350553353
Energy: 1.8948678033469615
Energy: 1.9523009350558957
Energy: 1.8948437114808974
Energy: 1.8820949134609437
Energy: 1.8948437114808974
Energy: 1.8820949134615044
Energy: 1.8948437114825794
Energy: 1.882094913458752
Energy: 2.0517984171101924
Energy: 1.8713704544025909
Energy: 2.0517984171113137
Energy: 1.8713704544031515
Energy: 2.051798417109071
Energy: 1.8713704544025909
Energy: 1.8549419781432241
Energy: 1.917498576719452
Energy: 1.8549419781449061
Energy: 1.9174985767183306
Energy: 1.8549419781443452
Energy: 1.9174985767166484
Energy: 1.8575805444252524
Energy: 1.901202657686357
Energy: 1.8575805444235705
Energy: 1.9012026576869177
Energy: 1.85758054442301
Energy: 1.901202657686357
Energy: 1.9628910891366895
Energy: 1.8807523676142945
Energy: 1.9628910891361289
Energy: 1.880752367625457
Energy: 1.9628910891327649
Energy: 1.8807523676154156
Energy: 1.956109610648604
Energy: 1.8743244408801663
Energy: 1.956109610648604
Energy: 1.874324440880727
Energy: 1.9561096106480433
Energy: 1.874324440880727

minimum gb energy = 1.8480180260108627 eV
minimum distance =  2.23225154732724 Angstroms
sigma value = 33


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

Energy: 0.019298664113026637
Energy: 1.1893383246549702
Energy: 0.019298664113026637
Energy: 1.1893383246554359
Energy: 0.019298664112612565
Energy: 1.1893383246545042
Energy: 0.020397588713374572
Energy: 0.3792802541801818
Energy: 0.02039758871378864
Energy: 0.3792802541806476
Energy: 0.020397588713374572
Energy: 0.37928025417971595
Energy: 1.4113267208088704
Energy: 0.3787257344157653
Energy: 1.4113267208102678
Energy: 0.3787285465664501
Energy: 1.4113267208079905
Energy: 0.37872729113058
Energy: 0.02039758871378864
Energy: 0.37928025418152755
Energy: 0.02039758871425447
Energy: 0.3792802541801818
Energy: 0.02039758871378864
Energy: 0.3792802541801818

minimum gb energy = 0.019298664112612565 eV
minimum distance =  2.47916922609441 Angstroms
sigma value = 1