Model name: model_name=Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1599882096052174
cohesive_energy=5.130582657262978
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: -17.2757958404 eV

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

Energy: 0.012998461200984447
Energy: 0.014785351387860671
Energy: 5.768311709704387
Energy: 0.014785351387860671
Energy: 0.014785351387860671
Energy: 0.014239354081426913
Energy: 1.7178020043223396
Energy: 0.014239354081426913
Energy: 5.768311709704387
Energy: 1.7178020043223396
Energy: 1.7177772664976374
Energy: 1.7178020043223396
Energy: 0.014785351387860671
Energy: 0.014239354081426913
Energy: 1.7178020043223396
Energy: 0.014239354081426913

minimum gb energy = 0.012998461200984447 eV
minimum distance =  2.72723048962461 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 2.0960602562254866
Energy: 2.320244699158246
Energy: 1.776646506002791
Energy: 2.320244699158246
Energy: 2.2914876873250956
Energy: 1.9015791745198456
Energy: 1.763019955430865
Energy: 1.9015791745198456
Energy: 2.585806235847322
Energy: 1.7613125159371867
Energy: 1.7007975201319703
Energy: 1.7613125159371867
Energy: 2.062478423150088
Energy: 1.929875189517669
Energy: 1.7612853864435645
Energy: 1.929875189517669
Energy: 2.066730128777004
Energy: 1.9334232692747724
Energy: 2.1841228928734804
Energy: 1.9334232692747724
Energy: 2.2976905844518685
Energy: 1.9084191214683692
Energy: 1.6640923571038795
Energy: 1.9084191214683692
Energy: 1.8981785919868188
Energy: 1.9457501771834456
Energy: 1.682184072030548
Energy: 1.9457501771834456
Energy: 1.6562305612727106
Energy: 1.8425093850725967
Energy: 2.186036362541621
Energy: 1.8425093850725967
Energy: 1.90484125818636
Energy: 1.9649938376211726
Energy: 2.095463980911704
Energy: 1.9649938376211726
Energy: 2.4133312921554535
Energy: 1.956164730904939
Energy: 1.8469050808434182
Energy: 1.956164730904939
Energy: 1.6987112357017837
Energy: 1.9380518631322263
Energy: 2.085845441991907
Energy: 1.9380518631322263
Energy: 1.712328052374162
Energy: 1.6997651631888913
Energy: 2.9121414509422787
Energy: 1.6997651631888913
Energy: 1.9933076394140066
Energy: 1.9434873012893346
Energy: 2.070681288332419
Energy: 1.9434873012893346
Energy: 1.7576996376981586
Energy: 1.9263487445563063
Energy: 2.072297681512495
Energy: 1.9263487445563063
Energy: 1.7746608354025502
Energy: 1.9113778480299672
Energy: 2.2802305007819013
Energy: 1.9113778480299672
Energy: 1.781699756808803
Energy: 1.9114452016730257
Energy: 2.294384237407304
Energy: 1.9114452016730257
Energy: 1.7572605150028169
Energy: 1.9270264644707817
Energy: 2.074311507301128
Energy: 1.9270264644707817
Energy: 1.9827298660139896
Energy: 1.9405964651812664
Energy: 2.0744803698932284
Energy: 1.9405964651812664
Energy: 1.6881716094647383
Energy: 1.6994318210599884
Energy: 2.9672346013982196
Energy: 1.6994318210599884
Energy: 1.6994332398310124
Energy: 1.9382035588035564
Energy: 1.8790041668174544
Energy: 1.9382035588035564
Energy: 2.4127125070431474
Energy: 1.9559324397440112
Energy: 1.8489445705464824
Energy: 1.9559324397440112
Energy: 1.898064778955315
Energy: 1.8951326433925975
Energy: 2.0772592977879967
Energy: 1.8951326433925975
Energy: 1.867782129953894
Energy: 1.8590642811279408
Energy: 1.918396964109454
Energy: 1.8590642811279408
Energy: 2.119815657689544
Energy: 1.9499358442420711
Energy: 1.6755388156284614
Energy: 1.9499358442420711
Energy: 2.297287642856256
Energy: 1.9082942595558114
Energy: 1.6641955358901197
Energy: 1.9082942595558114
Energy: 2.0736706081499103
Energy: 1.937338099905456
Energy: 2.1843266562582166
Energy: 1.937338099905456
Energy: 2.0622732073609042
Energy: 1.9287924865913089
Energy: 1.7621794102240336
Energy: 1.9287924865913089
Energy: 2.584933590273816
Energy: 1.761793788302386
Energy: 1.7240372853875834
Energy: 1.761793788302386
Energy: 2.287939333605265
Energy: 1.904997782622197
Energy: 1.7626859042845862
Energy: 1.904997782622197
Energy: 2.0954595870522024
Energy: 1.9410027553844125
Energy: 1.7628236193195364
Energy: 1.9410027553844125
Energy: 2.2981029563522033
Energy: 1.9003276400376072
Energy: 1.7281705653912383
Energy: 1.9003276400276523
Energy: 2.2977486056700913
Energy: 1.8951910013278732
Energy: 1.7020452829598933
Energy: 1.8951910013278732
Energy: 2.0671116319638667
Energy: 1.9341414307515246
Energy: 1.7614700751093062
Energy: 1.9341414307515246

minimum gb energy = 1.6562305612727106 eV
minimum distance =  2.44754990239787 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 2.217522440151919
Energy: 2.156884104307469
Energy: 1.9414553192533615
Energy: 2.156884104307469
Energy: 2.174200366915292
Energy: 1.9795658907971208
Energy: 1.9858012539971237
Energy: 1.9795658907971208
Energy: 2.2348624442852314
Energy: 1.786475578985987
Energy: 1.7860936545009316
Energy: 1.786475578985987
Energy: 1.7105928431018038
Energy: 2.04882714124239
Energy: 1.9776318897435952
Energy: 2.04882714124239
Energy: 1.7105270332716225
Energy: 2.0494237014366976
Energy: 2.4644068669672174
Energy: 2.0494237014366976
Energy: 2.2346042699132913
Energy: 1.7661618961719867
Energy: 1.7640495786137687
Energy: 1.7661618961719867
Energy: 1.7882781377116084
Energy: 1.980439123784103
Energy: 1.7644219512919614
Energy: 1.980439123784103
Energy: 1.7639817349663551
Energy: 1.7644833732392053
Energy: 2.4591026708939885
Energy: 1.7644833732392053
Energy: 1.765423925305519
Energy: 1.8628889754202647
Energy: 2.2428976237673965
Energy: 1.8628889754213998
Energy: 1.9798579382238182
Energy: 1.7105019485733244
Energy: 1.7091497147503532
Energy: 1.7105019485721893
Energy: 1.792982342217644
Energy: 2.0479548610633884
Energy: 2.2429890122798075
Energy: 2.0479548610633884
Energy: 1.7648312340125927
Energy: 1.9276881722767507
Energy: 2.7818587969783364
Energy: 1.9276881722767507
Energy: 1.986902391365624
Energy: 1.981764584621252
Energy: 2.170730479044449
Energy: 1.981764584621252
Energy: 1.986902391365624
Energy: 1.982499929648562
Energy: 2.1707868897652003
Energy: 1.982499929648562
Energy: 1.7648750597039449
Energy: 1.9277504295306942
Energy: 2.781326160344651
Energy: 1.9277504295306942
Energy: 1.792967451683773
Energy: 2.0479869257171845
Energy: 2.2429581396446285
Energy: 2.0479869257171845
Energy: 1.9798579382249015
Energy: 1.710495861910511
Energy: 1.7091466882546114
Energy: 1.710495861910511
Energy: 1.7653567324783055
Energy: 1.8629225665854126
Energy: 2.2429206819742853
Energy: 1.8629225665854126
Energy: 1.7639815303017914
Energy: 1.7645030749061437
Energy: 2.4591026708939885
Energy: 1.7645030749061437
Energy: 1.861108457719121
Energy: 1.979718166223505
Energy: 1.7643385282250268
Energy: 1.979718166223505
Energy: 2.234574928314117
Energy: 1.7661917142182837
Energy: 1.7640021568859499
Energy: 1.7661917142182837
Energy: 1.7105273053491419
Energy: 2.049228897069425
Energy: 2.4644068669672174
Energy: 2.049228897069425
Energy: 1.7105320187709565
Energy: 2.048817467448238
Energy: 1.9776318897458653
Energy: 2.048817467448238
Energy: 2.2343414125086127
Energy: 1.7864344442390705
Energy: 1.7854717135576748
Energy: 1.7864344442402056
Energy: 2.1741089578322934
Energy: 1.9804809815678968
Energy: 1.9858012539971237
Energy: 1.9804809815678968
Energy: 2.217522440153054
Energy: 2.156884104307469
Energy: 1.9426222265270834
Energy: 2.156884104307469
Energy: 2.174200366915292
Energy: 1.9795658907971208
Energy: 1.9858012539971237
Energy: 1.9795658907971208
Energy: 2.2348624442863665
Energy: 1.786475578985987
Energy: 1.7860936545009316
Energy: 1.786475578985987
Energy: 1.7105928431018038
Energy: 2.04882714124239
Energy: 1.9776318897435952
Energy: 2.04882714124239

minimum gb energy = 1.7091466882546114 eV
minimum distance =  2.44932207129345 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 2.1209703326233296
Energy: 2.1230226940949
Energy: 2.4470115128211742
Energy: 2.1230226940949
Energy: 2.354333659837056
Energy: 1.9680799368695312
Energy: 2.030711074332927
Energy: 1.9680799368695312
Energy: 2.4393762497256937
Energy: 1.9024210434814224
Energy: 1.9244374361390637
Energy: 1.9024210434814224
Energy: 2.118256970151783
Energy: 2.036483511119697
Energy: 2.030878390477858
Energy: 2.036483511119697
Energy: 2.1167674364212044
Energy: 2.0383575426678453
Energy: 2.191140450173555
Energy: 2.0383575426678453
Energy: 2.438782252111296
Energy: 1.8406150436411493
Energy: 1.8362735480457266
Energy: 1.8406150436411493
Energy: 1.9023858701474459
Energy: 2.030940097326279
Energy: 1.8364019500320183
Energy: 2.030940097326279
Energy: 1.837727149513119
Energy: 1.904491080161095
Energy: 2.8641835880758126
Energy: 1.9044910801624144
Energy: 1.9023365193203687
Energy: 2.039436981271751
Energy: 2.102688775475872
Energy: 2.039436981271751
Energy: 2.0197901983526085
Energy: 2.024906291472798
Energy: 2.096736792901298
Energy: 2.024906291472798
Energy: 1.973109883310337
Energy: 2.039289155066362
Energy: 2.3704714709917925
Energy: 2.039289155066362
Energy: 1.9331338246173857
Energy: 2.0182703126478847
Energy: 2.367532752216107
Energy: 2.0182703126478847
Energy: 2.019325506238648
Energy: 2.028493401618002
Energy: 2.0968004866700096
Energy: 2.028493401618002
Energy: 1.9384251714543652
Energy: 2.0305548512401375
Energy: 2.1090411081875713
Energy: 2.0305548512401375
Energy: 1.9096082823749203
Energy: 1.9056124476344989
Energy: 2.860802007135771
Energy: 1.9056124476344989
Energy: 1.9017355898239208
Energy: 2.0311858259499562
Energy: 1.8368183655624057
Energy: 2.0311858259499562
Energy: 2.88439634363941
Energy: 1.8397804360276608
Energy: 1.8422154208421246
Energy: 1.8397804360276608
Energy: 2.1229139610992207
Energy: 2.03131338005957
Energy: 2.1938294021156217
Energy: 2.03131338005957
Energy: 1.966173695928413
Energy: 2.039815905541616
Energy: 2.0302776492823855
Energy: 2.039815905541616
Energy: 2.117129355568137
Energy: 1.9496875370567393
Energy: 1.9049193620028821
Energy: 1.9496875370567393
Energy: 2.3634070395341094
Energy: 1.966809791430153
Energy: 1.9221100909100874
Energy: 1.966809791430153
Energy: 2.1215987059448533
Energy: 2.02285745340324
Energy: 2.029072115081062
Energy: 2.02285745340324
Energy: 2.352270943308335
Energy: 2.0249394997091312
Energy: 2.0318715195275194
Energy: 2.0249394997091312
Energy: 2.439995279077623
Energy: 1.9185463220707548
Energy: 1.9188589831932061
Energy: 1.9185463220707548
Energy: 2.116192271705574
Energy: 2.038046683716236
Energy: 1.8954713863113453
Energy: 2.038046683716236

minimum gb energy = 1.8362735480457266 eV
minimum distance =  2.42709609613423 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.8440960255889767
Energy: 1.8449252846423845
Energy: 3.3997475886204453
Energy: 1.8449252846423845
Energy: 1.843000446752025
Energy: 1.9391813049257336
Energy: 1.941652499961186
Energy: 1.9391813049257336
Energy: 1.9409653116603856
Energy: 1.9888212551793805
Energy: 1.9858947406854734
Energy: 1.9888212551793805
Energy: 1.93780913371982
Energy: 1.9364557186603266
Energy: 1.9388790456223761
Energy: 1.9364557186603266
Energy: 1.9382602054576037
Energy: 1.9366357704882387
Energy: 1.942330493110522
Energy: 1.9366357704882387
Energy: 3.061887309528118
Energy: 1.9367260495225704
Energy: 1.9382038680682516
Energy: 1.9367260495225704
Energy: 1.9903825622236466
Energy: 1.9356911034585198
Energy: 1.937868624631974
Energy: 1.9356911034585198
Energy: 1.9381214571404548
Energy: 1.9374416054988943
Energy: 2.5628209815150798
Energy: 1.9374416054988943
Energy: 2.4325110568228223
Energy: 1.9362699139910098
Energy: 1.8442254075071622
Energy: 1.9362699139910098
Energy: 2.436347327475883
Energy: 1.848043205997725
Energy: 1.8449334310640342
Energy: 1.848043205997725
Energy: 1.9388839381230423
Energy: 1.983168949655613
Energy: 2.5701909121633797
Energy: 1.983168949655613
Energy: 1.9896816274314615
Energy: 1.9144484978620069
Energy: 1.9382122674820994
Energy: 1.9144484978620069
Energy: 2.43364952708693
Energy: 1.9363508271660248
Energy: 1.9375846548069768
Energy: 1.9363508271660248
Energy: 1.9380015473232228
Energy: 1.9132134789462714
Energy: 1.9380500358039976
Energy: 1.9132134789462714
Energy: 1.9375955738857364
Energy: 1.9359793294247094
Energy: 2.43364952708693
Energy: 1.9359793294247094
Energy: 1.9383291412754355
Energy: 1.9146968096777912
Energy: 1.989639990486607
Energy: 1.9146968096777912
Energy: 2.570201786364065
Energy: 1.9831233349035693
Energy: 1.9389057676303012
Energy: 1.9831233349035693
Energy: 1.8449234101067271
Energy: 1.8481247405193864
Energy: 2.4363473274774563
Energy: 1.8481247405193864
Energy: 1.8441838973801197
Energy: 1.9362485121611224
Energy: 2.4325110568228223
Energy: 1.9362485121611224
Energy: 2.5627667357403627
Energy: 1.9374184949323703
Energy: 1.938126855940112
Energy: 1.9374184949339444
Energy: 1.9377446418705742
Energy: 1.9357285667541946
Energy: 1.9912826344876813
Energy: 1.9357285667541946

minimum gb energy = 1.843000446752025 eV
minimum distance =  2.49002612613377 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 2.10186096136439
Energy: 2.5137097699508177
Energy: 3.0711626419873475
Energy: 2.5137097699508177
Energy: 2.497631621146644
Energy: 2.076179940770858
Energy: 2.09797458132026
Energy: 2.076179940770858
Energy: 2.1843246007714314
Energy: 2.112267115959285
Energy: 2.0916288982247706
Energy: 2.112267115961232
Energy: 2.0176687475013377
Energy: 2.153792624313072
Energy: 2.096982672708411
Energy: 2.153792624313072
Energy: 2.1857685027425777
Energy: 2.0715620797249614
Energy: 2.5747384185999067
Energy: 2.0715620797249614
Energy: 2.7747104488653465
Energy: 2.0705871460143332
Energy: 2.0829586513972007
Energy: 2.0705871460143332
Energy: 2.287431433709148
Energy: 2.1546148747239293
Energy: 2.085319189441362
Energy: 2.1546148747239293
Energy: 2.186838027294128
Energy: 2.2940849485385546
Energy: 2.5735006378908665
Energy: 2.2940849485385546
Energy: 2.310462815175948
Energy: 2.0702815383390045
Energy: 2.0926510254774096
Energy: 2.0702815383390045
Energy: 2.1853910095528666
Energy: 2.070752927071338
Energy: 2.0816323083139183
Energy: 2.070752927071338
Energy: 2.1936483941333464
Energy: 2.1543171899335083
Energy: 2.727463999551024
Energy: 2.1543171899335083
Energy: 2.2205588974669923
Energy: 2.0707398686220286
Energy: 2.10132801206799
Energy: 2.0707398686220286
Energy: 2.5241067850183185
Energy: 2.087874388705677
Energy: 2.0957509484964714
Energy: 2.087874388705677
Energy: 2.5058434701824046
Energy: 2.0688036172694875
Energy: 2.4183002347650713
Energy: 2.0688036172694875
Energy: 2.2964060481399717
Energy: 2.069790068411029
Energy: 2.417568125554562
Energy: 2.0697900684129755
Energy: 2.49228613367272
Energy: 2.0661259383162887
Energy: 2.1071424980199134
Energy: 2.0661259383162887
Energy: 2.183225887118297
Energy: 2.069589185489471
Energy: 2.095621724168719
Energy: 2.069589185489471

minimum gb energy = 2.0176687475013377 eV
minimum distance =  2.47224696703809 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.484873597851729
Energy: 2.355860177498761
Energy: 3.332616375689933
Energy: 2.355860177498761
Energy: 2.432067496470127
Energy: 2.1144744963891635
Energy: 2.258422056035734
Energy: 2.1144744963891635
Energy: 2.262919190221188
Energy: 2.151820508046908
Energy: 2.1295928626075313
Energy: 2.151820508046908
Energy: 2.104003396125157
Energy: 2.1126623443095376
Energy: 2.1981657978921447
Energy: 2.1126623443095376
Energy: 2.1433241000987384
Energy: 2.1044867639198293
Energy: 2.4499031154574054
Energy: 2.1044867639198293
Energy: 2.50910092921758
Energy: 2.245781883354963
Energy: 2.1616701749529814
Energy: 2.2457818833538608
Energy: 2.3541105821480177
Energy: 2.103753730762748
Energy: 2.4512727643579524
Energy: 2.103753730762748
Energy: 2.1794132816267293
Energy: 2.1367354876718503
Energy: 2.5132508379709346
Energy: 2.1367354876707476
Energy: 2.1710821024495948
Energy: 2.1492073451885356
Energy: 2.0811200099526976
Energy: 2.1492073451885356
Energy: 2.462651932428068
Energy: 2.1251778292259904
Energy: 2.1922762135379763
Energy: 2.1251778292259904
Energy: 2.160807739936487
Energy: 2.126855404014979
Energy: 2.5406412538898646
Energy: 2.126855404013877
Energy: 2.162319009621285
Energy: 2.140736627942429
Energy: 2.2639835138687827
Energy: 2.140736627942429
Energy: 2.4621247841600966
Energy: 2.2314911509862556
Energy: 2.2051553477019454
Energy: 2.2314911509862556
Energy: 2.1671874627563747
Energy: 2.1171039951206727
Energy: 2.250679642691151
Energy: 2.1171039951206727
Energy: 2.163519867475877
Energy: 2.107450324366607
Energy: 2.52341718021306
Energy: 2.107450324366607
Energy: 2.5388054697507534
Energy: 2.138896226395968
Energy: 2.092913581362079
Energy: 2.138896226395968
Energy: 2.1831036761240066
Energy: 2.214227467418332
Energy: 2.1919735914627547
Energy: 2.214227467418332
Energy: 2.1663804071405046
Energy: 2.239292104182235
Energy: 2.44152618190336
Energy: 2.239292104182235
Energy: 2.337802593194228
Energy: 2.2333922550539027
Energy: 2.2771788802299318
Energy: 2.2333922550539027
Energy: 2.5641359478296026
Energy: 2.2323508441906426
Energy: 2.4102391624949084
Energy: 2.2323508441906426
Energy: 2.123933793093337
Energy: 2.1943906094582455
Energy: 2.46429047258998
Energy: 2.1943906094582455
Energy: 2.116923956118781
Energy: 2.141691776568763
Energy: 2.15631127485064
Energy: 2.141691776568763
Energy: 2.446507623726256
Energy: 2.1531394764140095
Energy: 2.1880823479185234
Energy: 2.1531394764140095
Energy: 2.406424198292616
Energy: 2.0832488217542457
Energy: 2.365548306430328
Energy: 2.0832488217542457
Energy: 2.4059371551225635
Energy: 2.0797155229041375
Energy: 2.3628902882671103
Energy: 2.0797155229041375
Energy: 2.4237637747613916
Energy: 2.1560199065448598
Energy: 2.1834276800777075
Energy: 2.1560199065448598
Energy: 2.1257742377513402
Energy: 2.139276164926648
Energy: 2.1696965639615216
Energy: 2.139276164926648
Energy: 2.1216812227315915
Energy: 2.099828551627415
Energy: 2.562123480089382
Energy: 2.099828551627415
Energy: 2.262989632605939
Energy: 2.120924927449083
Energy: 2.409090506629077
Energy: 2.120924927449083
Energy: 2.337714630596066
Energy: 2.2356722683758914
Energy: 2.1669605910528116
Energy: 2.2356722683758914

minimum gb energy = 2.0797155229041375 eV
minimum distance =  2.45606051599385 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 2.062936635900517
Energy: 1.9329306546357814
Energy: 4.0855977650849455
Energy: 1.9329306546357814
Energy: 2.0640020741375746
Energy: 1.933770416686208
Energy: 2.0646311432440387
Energy: 1.933770416686208
Energy: 2.6754541606649287
Energy: 1.965364348303181
Energy: 2.251375218815924
Energy: 1.965364348303181
Energy: 2.2513650772340124
Energy: 1.965396824127759
Energy: 2.675283557941129
Energy: 1.965396824127759
Energy: 2.0642971508040753
Energy: 1.9337205593749354
Energy: 2.0639506273768813
Energy: 1.9337205593749354
Energy: 6.33317114379211
Energy: 1.9329306546357814
Energy: 2.062936635900517
Energy: 1.9329306546357814
Energy: 2.0646311432440387
Energy: 1.933770416686208
Energy: 2.0640020741375746
Energy: 1.933770416686208
Energy: 2.251375218815924
Energy: 1.965364348303181
Energy: 2.6754541606649287
Energy: 1.965364348303181
Energy: 2.675283557941129
Energy: 1.965396824130297
Energy: 2.2513650772340124
Energy: 1.965396824127759
Energy: 2.0639506273768813
Energy: 1.9337205593749354
Energy: 2.0642971508040753
Energy: 1.9337205593749354
Energy: 2.062936635900517
Energy: 1.9329306546357814
Energy: 4.085597765087484
Energy: 1.9329306546357814
Energy: 2.0640020741375746
Energy: 1.933770416686208
Energy: 2.0646311432440387
Energy: 1.933770416686208
Energy: 2.6754541606649287
Energy: 1.965364348303181
Energy: 2.251375218815924
Energy: 1.965364348303181

minimum gb energy = 1.9329306546357814 eV
minimum distance =  2.49893231861892 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 2.3802786177167663
Energy: 2.0915140549492595
Energy: 3.2085081139491587
Energy: 2.0915140549492595
Energy: 2.635010868771534
Energy: 2.0894885249271398
Energy: 2.384003534272009
Energy: 2.0894885249271398
Energy: 2.231987243555393
Energy: 2.158706606005718
Energy: 2.168401443371957
Energy: 2.158706606005718
Energy: 2.1854151639430497
Energy: 2.209208163336828
Energy: 2.2955453460345407
Energy: 2.209208163336828
Energy: 2.2759304251642383
Energy: 2.14813097545585
Energy: 2.589566319510405
Energy: 2.14813097545585
Energy: 2.6771813398393802
Energy: 2.2317794922914254
Energy: 2.3674835469904036
Energy: 2.2317794922914254
Energy: 2.3257456169762594
Energy: 2.0909799734597168
Energy: 2.5962315238440876
Energy: 2.0909799734597168
Energy: 2.1459987569296777
Energy: 2.2015007154990682
Energy: 2.2345750041150083
Energy: 2.2015007154990682
Energy: 2.3004807276543957
Energy: 2.168739361803757
Energy: 2.2286937194611887
Energy: 2.168739361803757
Energy: 2.3948200142996763
Energy: 2.156202674671226
Energy: 2.3340900440620747
Energy: 2.156202674671226
Energy: 2.2105507132840043
Energy: 2.2385589703998385
Energy: 2.7126543101541833
Energy: 2.2385589703998385
Energy: 2.614120048322729
Energy: 2.1508068267288243
Energy: 2.2959976741487633
Energy: 2.1508068267288243
Energy: 2.2833139745801816
Energy: 2.183155549647865
Energy: 2.2194458039735463
Energy: 2.183155549647865
Energy: 2.2925819946888133
Energy: 2.200164677760162
Energy: 2.405545247753853
Energy: 2.200164677760162
Energy: 2.2828473665621476
Energy: 2.2034891588012178
Energy: 2.231945479622846
Energy: 2.2034891588012178
Energy: 2.688696221778295
Energy: 2.1851713923054152
Energy: 2.2244957819774323
Energy: 2.1851713923054152
Energy: 2.387792167080801
Energy: 2.183319669020624
Energy: 2.630197440743875
Energy: 2.183319669020624
Energy: 2.216719655756488
Energy: 2.246141784243575
Energy: 2.329224954423279
Energy: 2.246141784243575
Energy: 2.6006481186210655
Energy: 2.1615207337816043
Energy: 2.2238285907521247
Energy: 2.1615207337816043
Energy: 2.273601098986989
Energy: 2.1865008410450635
Energy: 2.235511958453104
Energy: 2.1865008410450635
Energy: 2.1696247912769353
Energy: 2.2059655519544723
Energy: 2.66019120136873
Energy: 2.2059655519544723
Energy: 2.4589623670863348
Energy: 2.1405089812910254
Energy: 2.3744779693057754
Energy: 2.1405089812910254
Energy: 2.437907982462396
Energy: 2.247061896672465
Energy: 2.35871129906137
Energy: 2.247061896672465
Energy: 2.243053092368917
Energy: 2.194266868560079
Energy: 2.6358307948818305
Energy: 2.194266868560079
Energy: 2.1983525468491
Energy: 2.2107808204622317
Energy: 2.199181083404885
Energy: 2.2107808204622317
Energy: 2.5289670006035436
Energy: 2.2333584026641202
Energy: 2.193254168347975
Energy: 2.2333584026641202
Energy: 2.465170781001879
Energy: 2.138271438641213
Energy: 2.520579510268396
Energy: 2.138271438641213
Energy: 2.3684536592915375
Energy: 2.139201216636848
Energy: 2.5229323274078035
Energy: 2.139201216636848
Energy: 2.6059375643306795
Energy: 2.235412564763011
Energy: 2.1999210748825972
Energy: 2.235412564763011
Energy: 2.1925223537352285
Energy: 2.2037115459437033
Energy: 2.1929267539753363
Energy: 2.2037115459437033
Energy: 2.243817016011619
Energy: 2.2060302439777044
Energy: 2.6183479766003535
Energy: 2.2060302439777044
Energy: 2.438223168180644
Energy: 2.139158202978724
Energy: 2.3623062420742675
Energy: 2.139158202978724
Energy: 2.6901122216589632
Energy: 2.1393363974598394
Energy: 2.3686774414553384
Energy: 2.1393363974598394
Energy: 2.174678901915006
Energy: 2.191015104259637
Energy: 2.660945587315292
Energy: 2.191015104259637
Energy: 2.2667506267402096
Energy: 2.1899333610833294
Energy: 2.239382070631109
Energy: 2.1899333610833294

minimum gb energy = 2.0894885249271398 eV
minimum distance =  2.45050250255546 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.4570795620106156
Energy: 2.2871083429871804
Energy: 2.915659827689812
Energy: 2.2871083429871804
Energy: 2.4399219008103907
Energy: 2.1556416307077333
Energy: 2.3522039474575283
Energy: 2.1556416307077333
Energy: 2.2495697839549402
Energy: 2.2875367880766535
Energy: 2.1429591676161057
Energy: 2.2875367880766535
Energy: 2.2283240814620435
Energy: 2.200571333991567
Energy: 2.3135588794391735
Energy: 2.200571333991567
Energy: 2.4803542080754615
Energy: 2.2011571373730767
Energy: 2.465600814303166
Energy: 2.2011571373730767
Energy: 2.8376516128963045
Energy: 2.307432765671886
Energy: 2.202582711735189
Energy: 2.307432765671886
Energy: 2.276241593005466
Energy: 2.170462089349915
Energy: 2.4608109299847425
Energy: 2.1704620893514055
Energy: 2.2257196604234775
Energy: 2.200215328459909
Energy: 2.3797084595421607
Energy: 2.200215328459909
Energy: 2.553815840188283
Energy: 2.289144428163295
Energy: 2.336428332499998
Energy: 2.289144428163295
Energy: 2.2337822414785276
Energy: 2.287648711161479
Energy: 2.3412832794212988
Energy: 2.287648711161479
Energy: 2.2335425184208035
Energy: 2.2005324842247904
Energy: 2.8781515908622577
Energy: 2.200532484226281
Energy: 2.5538451065925334
Energy: 2.2031457819996554
Energy: 2.4625807491619773
Energy: 2.2031457819996554
Energy: 2.475115000351594
Energy: 2.2810170643199643
Energy: 2.212088245703929
Energy: 2.2810170643199643
Energy: 2.250036015138774
Energy: 2.254522723672637
Energy: 2.774895460026717
Energy: 2.254522723672637
Energy: 2.2262319665784123
Energy: 2.2009145454052774
Energy: 2.2228279502818062
Energy: 2.2009145454052774
Energy: 2.469389830553128
Energy: 2.2892603937911877
Energy: 2.175318242435748
Energy: 2.2892603937911877
Energy: 2.4309755299484768
Energy: 2.1877047601911968
Energy: 2.723576408375569
Energy: 2.1877047601911968
Energy: 2.426749867119411
Energy: 2.1920130112411917
Energy: 2.724186975506583
Energy: 2.1920130112411917
Energy: 2.6101835493270213
Energy: 2.306841724828219
Energy: 2.314692197912101
Energy: 2.306841724828219
Energy: 2.2260108790465285
Energy: 2.227827120861935
Energy: 2.143626937209035
Energy: 2.227827120861935
Energy: 2.252551415442925
Energy: 2.265267055398707
Energy: 2.7674070651396607
Energy: 2.2652670553972167
Energy: 2.4743215793721847
Energy: 2.20413517859204
Energy: 2.226720397238998
Energy: 2.20413517859353

minimum gb energy = 2.1429591676161057 eV
minimum distance =  2.45075399930689 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.521336686123674
Energy: 2.31006080582377
Energy: 3.4551435288162
Energy: 2.31006080582377
Energy: 2.4954840141834205
Energy: 2.2100529174009536
Energy: 2.26383293649364
Energy: 2.2100529174009536
Energy: 2.2712165174843615
Energy: 2.2442183324977902
Energy: 2.248741619684394
Energy: 2.2442183324977902
Energy: 2.2276035568793104
Energy: 2.1684916888724706
Energy: 2.2657210847019433
Energy: 2.1684916888724706
Energy: 2.3937605448165638
Energy: 2.24488549785189
Energy: 2.167777232844616
Energy: 2.24488549785189
Energy: 2.905623149894514
Energy: 2.168262332141285
Energy: 2.1726609900383043
Energy: 2.168262332141285
Energy: 2.202613903784403
Energy: 2.2026234306750836
Energy: 2.5762557949394407
Energy: 2.2026234306750836
Energy: 2.1737085140693835
Energy: 2.168712516131843
Energy: 2.3881190585014873
Energy: 2.168712516131843
Energy: 2.57336337265025
Energy: 2.2477279285727207
Energy: 2.2705017592760486
Energy: 2.2477279285727207
Energy: 2.27498550172575
Energy: 2.168019127905532
Energy: 2.2256204167263776
Energy: 2.168019127905532
Energy: 2.265700765904655
Energy: 2.247288191529452
Energy: 2.427745969165855
Energy: 2.247288191529452
Energy: 2.763336064886475
Energy: 2.171211417428379
Energy: 2.4799738951081833
Energy: 2.171211417428379
Energy: 2.764151090756777
Energy: 2.173081457457102
Energy: 2.4867544740986287
Energy: 2.173081457457102
Energy: 2.2769075409699435
Energy: 2.2882191330585373
Energy: 2.657419587908185
Energy: 2.2882191330585373
Energy: 2.2651231699749514
Energy: 2.16801126319707
Energy: 2.21853243844933
Energy: 2.16801126319707
Energy: 2.57324903403491
Energy: 2.4561926249086516
Energy: 2.2634415803060124
Energy: 2.4561926249086516
Energy: 2.1972979135481467
Energy: 2.1685472606245044
Energy: 2.388533240680443
Energy: 2.1685472606245044
Energy: 2.1708239217367793
Energy: 2.245818056132035
Energy: 2.574962743150743
Energy: 2.245818056132035
Energy: 2.8937497558775926
Energy: 2.168327243319598
Energy: 2.1999472527434545
Energy: 2.168327243319598
Energy: 2.3975157499511415
Energy: 2.2442821555377774
Energy: 2.1699569399039196
Energy: 2.2442821555377774
Energy: 2.2197426049157367
Energy: 2.2658026668012057
Energy: 2.2695471955458415
Energy: 2.2658026668012057
Energy: 2.2183745417410394
Energy: 2.244677073169642
Energy: 2.2568082731349843
Energy: 2.244677073169642
Energy: 2.483666165478046
Energy: 2.22193543713428
Energy: 2.2611793877662603
Energy: 2.22193543713428
Energy: 2.480323444229406
Energy: 2.174058259335061
Energy: 2.76473079786252
Energy: 2.174058259335061
Energy: 2.492963935794298
Energy: 2.1695940536013647
Energy: 2.2202502927761563
Energy: 2.1695940536013647
Energy: 2.426906873777822
Energy: 2.245400177546306
Energy: 2.2588607127299567
Energy: 2.245400177546306
Energy: 2.2195097271069018
Energy: 2.168378594173323
Energy: 2.2637061913192507
Energy: 2.168378594173323
Energy: 2.399880979529505
Energy: 2.24521517990862
Energy: 2.5883439914203006
Energy: 2.24521517990862
Energy: 2.387552540014997
Energy: 2.1686983017781505
Energy: 2.1661711515803113
Energy: 2.1686983017781505
Energy: 2.588318376922547
Energy: 2.2029150398999837
Energy: 2.5883197400318028
Energy: 2.2029150398999837
Energy: 2.1661679666239415
Energy: 2.1687108419618872
Energy: 2.3875525400044584
Energy: 2.1687108419618872

minimum gb energy = 2.1661679666239415 eV
minimum distance =  2.4821673083631 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.9733875245342078
Energy: 2.193279746335343
Energy: 3.509871034455113
Energy: 2.193279746335343
Energy: 2.550909025880814
Energy: 2.0518187498734095
Energy: 2.1030511534856817
Energy: 2.0518187498734095
Energy: 2.5212557944746403
Energy: 2.0407497747550103
Energy: 2.042855258789494
Energy: 2.0407497747550103
Energy: 2.598095620976912
Energy: 2.0442175526620066
Energy: 2.103265228232171
Energy: 2.0442175526620066
Energy: 2.5937191102907797
Energy: 2.0472320251154605
Energy: 2.041877111360551
Energy: 2.0472320251154605
Energy: 2.5232905851398915
Energy: 2.043445724265087
Energy: 2.041959510205907
Energy: 2.043445724265087
Energy: 2.219188751630057
Energy: 2.041945565558994
Energy: 2.507536879953035
Energy: 2.041945565558994
Energy: 1.9738440275505238
Energy: 2.043464136780858
Energy: 3.1442121740920825
Energy: 2.043464136780858
Energy: 2.5428797799380867
Energy: 2.044337320679031
Energy: 2.041381756366044
Energy: 2.044337320679031

minimum gb energy = 1.9733875245342078 eV
minimum distance =  2.61733444806598 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 2.308415182378354
Energy: 2.2027253345604065
Energy: 3.419990564673171
Energy: 2.2027253345604065
Energy: 2.3966733968267024
Energy: 2.2101038367341106
Energy: 2.2797769835831967
Energy: 2.2101038367341106
Energy: 2.3072472539237903
Energy: 2.142306667506016
Energy: 2.1532767458457034
Energy: 2.142306667506016
Energy: 2.3668303180910315
Energy: 2.2152783600904873
Energy: 2.261839959170691
Energy: 2.2152783600904873
Energy: 2.207857467085374
Energy: 2.1340587559024264
Energy: 2.1742027397911285
Energy: 2.1340587559024264
Energy: 2.2583153200877875
Energy: 2.1861525574302543
Energy: 2.1880800036324954
Energy: 2.1861525574302543
Energy: 2.2375470299824882
Energy: 2.1177153297094153
Energy: 2.497634851398957
Energy: 2.1177153297094153
Energy: 2.2437073655448025
Energy: 2.1187778931020946
Energy: 2.6083618348080653
Energy: 2.1187778931020946
Energy: 2.259432583373392
Energy: 2.147764556244648
Energy: 2.2352728421605237
Energy: 2.147764556244648
Energy: 2.5390301948763767
Energy: 2.148084072281518
Energy: 2.2405363229378943
Energy: 2.148084072281518
Energy: 2.1484137687346845
Energy: 2.1432445196696177
Energy: 2.2732182605482008
Energy: 2.1432445196696177
Energy: 2.1458304512118898
Energy: 2.142895138422495
Energy: 2.247199416716919
Energy: 2.142895138422495
Energy: 2.3102552622783503
Energy: 2.2985857165267873
Energy: 2.2861152348787073
Energy: 2.2985857165267873
Energy: 2.1562882824629885
Energy: 2.1363030097721696
Energy: 2.261502634116807
Energy: 2.1363030097721696
Energy: 2.214434357161474
Energy: 2.210205087942658
Energy: 2.2871799218056466
Energy: 2.210205087942658
Energy: 2.764329838082779
Energy: 2.195594921658738
Energy: 2.23423827237045
Energy: 2.195594921658738
Energy: 2.1848166501395943
Energy: 2.1645373363275398
Energy: 2.449154305873534
Energy: 2.164537336337495
Energy: 2.1258448122976255
Energy: 2.126600307536089
Energy: 2.6142057918494777
Energy: 2.126600307536089
Energy: 2.2506372072096466
Energy: 2.169024627118624
Energy: 2.2492568634065755
Energy: 2.169024627118624
Energy: 2.226282173868908
Energy: 2.1436204961173604
Energy: 2.1762875875589467
Energy: 2.1436204961173604
Energy: 2.2167369778398993
Energy: 2.210969232108445
Energy: 2.190758200262858
Energy: 2.210969232108445
Energy: 2.3358700454257297
Energy: 2.1338736208780857
Energy: 2.130751291553258
Energy: 2.1338736208780857
Energy: 2.3068779694721875
Energy: 2.1413853258153663
Energy: 2.1264056328336807
Energy: 2.1413853258153663
Energy: 2.462376003055004
Energy: 2.1522842537196865
Energy: 2.4286832296412757
Energy: 2.1522842537196865
Energy: 2.4584631476684926
Energy: 2.152485655285505
Energy: 2.8276299182543627
Energy: 2.152485655285505
Energy: 2.3088065822324486
Energy: 2.133095047347911
Energy: 2.130327100970513
Energy: 2.133095047347911
Energy: 2.37322159220915
Energy: 2.1376757441295795
Energy: 2.1259855300788244
Energy: 2.1376757441295795
Energy: 2.2288560675498004
Energy: 2.235128185484036
Energy: 2.4195657036071414
Energy: 2.235128185484036
Energy: 2.2133962185249936
Energy: 2.144198809904835
Energy: 2.171279220981415
Energy: 2.144198809904835
Energy: 2.30803585728837
Energy: 2.3161682327932676
Energy: 2.203325955759191
Energy: 2.3161682327932676
Energy: 2.182856564221199
Energy: 2.126577571177733
Energy: 2.5139896123342456
Energy: 2.126577571177733
Energy: 2.243898061707868
Energy: 2.1777260717687024
Energy: 2.3616357318077155
Energy: 2.1777260717687024
Energy: 2.8681851988652505
Energy: 2.195645551913637
Energy: 2.2341944197175914
Energy: 2.195645551913637

minimum gb energy = 2.1177153297094153 eV
minimum distance =  2.46712196333815 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 2.1053052481234893
Energy: 2.0053871021140792
Energy: 3.705668414746589
Energy: 2.005387102115456
Energy: 2.0434946128818456
Energy: 2.175424668860288
Energy: 2.135672679140223
Energy: 2.175424668860288
Energy: 2.4905075978308555
Energy: 2.0648846051879826
Energy: 2.200336547150553
Energy: 2.0648846051879826
Energy: 2.1992846994485635
Energy: 2.066772313370055
Energy: 2.134879152954618
Energy: 2.066772313370055
Energy: 2.207659254472486
Energy: 2.0067050601155283
Energy: 2.2041302526820243
Energy: 2.0067050601155283
Energy: 2.203664260067824
Energy: 2.2009806805742858
Energy: 2.200659043069692
Energy: 2.2009806805742858
Energy: 2.137625718945138
Energy: 2.0658435587848527
Energy: 2.5012706632251906
Energy: 2.0658435587848527
Energy: 2.1384051514472495
Energy: 2.0654287722370865
Energy: 2.490876843050529
Energy: 2.0654287722384628
Energy: 2.4670762530134605
Energy: 2.005284493112308
Energy: 2.0444712279683372
Energy: 2.005284493112308
Energy: 2.4670762530134605
Energy: 2.005735473554785
Energy: 2.0444890978922596
Energy: 2.005735473554785
Energy: 2.138385890093713
Energy: 2.065477697255123
Energy: 2.490876843050529
Energy: 2.0654776972564997
Energy: 2.1376544622984115
Energy: 2.065826257634348
Energy: 2.5012706632251906
Energy: 2.065826257634348
Energy: 2.2037163465293164
Energy: 2.2005392485396698
Energy: 2.20071461978893
Energy: 2.2005392485396698
Energy: 2.2076393853484313
Energy: 2.0064925828741393
Energy: 2.2040819828600178
Energy: 2.0064925828741393
Energy: 2.199426786844486
Energy: 2.066741839436159
Energy: 2.134906843397772
Energy: 2.066741839436159
Energy: 2.4905075978308555
Energy: 2.064875256834155
Energy: 2.2003181713061264
Energy: 2.064875256834155
Energy: 2.0435679755651943
Energy: 2.175456055224548
Energy: 2.135692693170104
Energy: 2.175456055224548
Energy: 2.1053052481234893
Energy: 2.005387102115456
Energy: 3.705668414714962
Energy: 2.005387102115456
Energy: 2.043494612880469
Energy: 2.175424668860288
Energy: 2.135672679140223
Energy: 2.175424668860288
Energy: 2.4905075978308555
Energy: 2.0648846051879826
Energy: 2.200336547150553
Energy: 2.0648846051879826
Energy: 2.1992846994485635
Energy: 2.066772313370055
Energy: 2.134879152954618
Energy: 2.066772313370055
Energy: 2.207659254472486
Energy: 2.0067050601155283
Energy: 2.2041302526820243
Energy: 2.0067050601155283
Energy: 2.203664260067824
Energy: 2.2009806805742858
Energy: 2.200659043069692
Energy: 2.200980680575662
Energy: 2.137625718945138
Energy: 2.0658435587848527
Energy: 2.5012706632251906
Energy: 2.0658435587848527

minimum gb energy = 2.005284493112308 eV
minimum distance =  2.45887876135964 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 2.452009203279575
Energy: 2.1269464278403527
Energy: 3.279109029993284
Energy: 2.1269464278403527
Energy: 2.460747452375824
Energy: 2.1960296954556324
Energy: 2.369712947077386
Energy: 2.19602969546414
Energy: 2.3037039028828574
Energy: 2.05157929561749
Energy: 2.1277751818651707
Energy: 2.05157929561749
Energy: 2.1507924651527346
Energy: 2.187152534687638
Energy: 2.3753456846304073
Energy: 2.187152534687638
Energy: 2.1757811865871513
Energy: 2.048650723513526
Energy: 2.160656016204123
Energy: 2.048650723513526
Energy: 2.1483247321488346
Energy: 2.1447065021884595
Energy: 2.1903484869430567
Energy: 2.1447065021884595
Energy: 2.0971781018563225
Energy: 2.0613628825247847
Energy: 2.2377931807179987
Energy: 2.0613628825247847
Energy: 2.096876744137729
Energy: 2.063282287858279
Energy: 2.229470221244683
Energy: 2.0632822878497716
Energy: 2.2150197842281854
Energy: 2.110896408657763
Energy: 2.3918587980372985
Energy: 2.110896408657763
Energy: 2.2047052912692395
Energy: 2.1080024474703203
Energy: 2.383306074339394
Energy: 2.1080024474703203
Energy: 2.190932674109057
Energy: 2.1092878768571492
Energy: 2.2295471338029076
Energy: 2.1092878768571492
Energy: 2.1843867526179714
Energy: 2.108230575087284
Energy: 2.2389158293160736
Energy: 2.108230575087284
Energy: 2.2038965661764043
Energy: 2.0697733273901107
Energy: 2.1160646356051394
Energy: 2.0697733273901107
Energy: 2.19704859299117
Energy: 2.049686363207043
Energy: 2.1148317422748226
Energy: 2.049686363207043
Energy: 2.195784811685573
Energy: 2.090119022650088
Energy: 2.142647287477549
Energy: 2.090119022650088
Energy: 2.2018139263803214
Energy: 2.0615283781067406
Energy: 2.1316634934809855
Energy: 2.0615283781067406
Energy: 2.366054435051499
Energy: 2.180849034345429
Energy: 2.2641155657699708
Energy: 2.180849034345429
Energy: 2.182153262233899
Energy: 2.053010566935368
Energy: 2.5366007614652326
Energy: 2.053010566935368
Energy: 2.354689495672564
Energy: 2.1562705182860404
Energy: 2.3613189740636336
Energy: 2.1562705182860404
Energy: 2.7207743161051146
Energy: 2.111961976301931
Energy: 2.192948616068666
Energy: 2.111961976301931
Energy: 2.2202138418283264
Energy: 2.119344013747129
Energy: 2.1532747760316417
Energy: 2.119344013747129
Energy: 2.097456950540983
Energy: 2.048599961038338
Energy: 2.2514037322881375
Energy: 2.048599961038338
Energy: 2.2697079634312813
Energy: 2.2706517805631257
Energy: 2.231224028063418
Energy: 2.2706517805631257
Energy: 2.129304305269447
Energy: 2.0609480978646264
Energy: 2.166775890080127
Energy: 2.0609480978646264
Energy: 2.15912866248642
Energy: 2.100918632883066
Energy: 2.1945041527566236
Energy: 2.100918632883066
Energy: 2.2789590991296356
Energy: 2.0489965679454807
Energy: 2.0961765490871254
Energy: 2.0489965679454807
Energy: 2.13063665085672
Energy: 2.0522367699971817
Energy: 2.1874904159012747
Energy: 2.0522367699971817
Energy: 2.4011962821546433
Energy: 2.1441072739678546
Energy: 2.498332589976851
Energy: 2.1441072739678546
Energy: 2.3835853243353253
Energy: 2.138580224788636
Energy: 2.1941775753438213
Energy: 2.138580224788636
Energy: 2.276982683945042
Energy: 2.0490375945885755
Energy: 2.096094335460934
Energy: 2.0490375945885755
Energy: 2.280983261198064
Energy: 2.0516419840732363
Energy: 2.186936023339026
Energy: 2.0516419840732363
Energy: 2.130289338584406
Energy: 2.0943916445330992
Energy: 2.159729059097033
Energy: 2.0943916445330992
Energy: 2.1396231534390493
Energy: 2.063064648223781
Energy: 2.1634578838079195
Energy: 2.063064648223781
Energy: 2.2117234328761786
Energy: 2.0712026783036905
Energy: 2.250771144277423
Energy: 2.0712026783036905
Energy: 2.1162012315023424
Energy: 2.049496564067078
Energy: 2.256414196623575
Energy: 2.049496564067078
Energy: 2.288305390943877
Energy: 2.1688424743385992
Energy: 2.360667196563389
Energy: 2.1688424743385992
Energy: 2.7560376147575254
Energy: 2.1094950782821793
Energy: 2.1937867146869063
Energy: 2.1094950782821793
Energy: 2.3648886131186475
Energy: 2.1593815359822686
Energy: 2.1070042338596955
Energy: 2.1593815359822686

minimum gb energy = 2.048599961038338 eV
minimum distance =  2.4738274458076 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.3630271500842177
Energy: 1.9656647980425082
Energy: 3.410940613846511
Energy: 1.9656647980425082
Energy: 2.239003467155924
Energy: 1.9637960268585464
Energy: 2.332498304352313
Energy: 1.9637960268585464
Energy: 2.376507075615823
Energy: 1.9493914253849198
Energy: 2.03864987091098
Energy: 1.9493914253849198
Energy: 2.10857702798434
Energy: 2.0081694744137453
Energy: 2.3585667411631226
Energy: 2.0081694744137453
Energy: 2.1152674609880115
Energy: 1.9997482984652237
Energy: 2.1673054306431494
Energy: 1.9997482984652237
Energy: 2.075610085461065
Energy: 2.2200807815837975
Energy: 2.275286143637916
Energy: 2.2200807815837975
Energy: 2.0761845071995126
Energy: 1.9488807514708293
Energy: 2.168153573861552
Energy: 1.9488807514708293
Energy: 2.076832547291363
Energy: 2.0100202926662414
Energy: 2.3147397310210134
Energy: 2.0100202926662414
Energy: 2.3857440223471102
Energy: 1.9991203767967258
Energy: 2.0000366401708836
Energy: 1.9991203767967258
Energy: 2.0758080599942987
Energy: 1.9993479765142401
Energy: 2.002192427314138
Energy: 1.9993479765142401
Energy: 2.2376684950982315
Energy: 1.9491264105287571
Energy: 2.3135420989100153
Energy: 1.9491264105287571
Energy: 2.2456099411097155
Energy: 1.9510455971753888
Energy: 2.314158248183765
Energy: 1.9510455971753888
Energy: 2.376795074794979
Energy: 1.998711061108891
Energy: 2.00022576432244
Energy: 1.998711061108891
Energy: 2.3850974317026776
Energy: 2.001062892752849
Energy: 2.006138114866286
Energy: 2.001062892752849
Energy: 2.077126343343468
Energy: 2.008708768016697
Energy: 2.313871979317193
Energy: 2.008708768016697

minimum gb energy = 1.9488807514708293 eV
minimum distance =  2.46287169775543 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 2.180158625925569
Energy: 1.9151413053258537
Energy: 3.0577476451004775
Energy: 1.9151413053258537
Energy: 2.3032648977107413
Energy: 1.901785933881573
Energy: 2.041587084524974
Energy: 1.901785933881573
Energy: 2.2062815573756738
Energy: 1.8390959953066721
Energy: 2.1064182396594653
Energy: 1.8390959953066721
Energy: 2.0848860039745687
Energy: 1.8809213057902088
Energy: 2.041994905915627
Energy: 1.8809213057902088
Energy: 1.961685156390231
Energy: 1.863154843986767
Energy: 2.098397645781122
Energy: 1.863154843986767
Energy: 2.141602631828228
Energy: 1.861223981363438
Energy: 2.096446738062118
Energy: 1.861223981363438
Energy: 1.9857760363830816
Energy: 1.8386142929350062
Energy: 2.003358761805433
Energy: 1.8386142929350062
Energy: 2.007185469112486
Energy: 1.9300173826047866
Energy: 1.985441274074734
Energy: 1.9300173826047866
Energy: 2.0811472346343614
Energy: 1.8626860913552057
Energy: 1.9448345499556343
Energy: 1.8626860913552057
Energy: 2.159718217263024
Energy: 1.8639381544499316
Energy: 2.1440577830387704
Energy: 1.8639381544499316
Energy: 2.11387379845746
Energy: 1.8383583694111199
Energy: 2.187876834793636
Energy: 1.8383583694111199
Energy: 2.09761240656034
Energy: 1.8381191248819617
Energy: 1.9850818365916192
Energy: 1.8381191248819617
Energy: 2.124285184229273
Energy: 1.9073059096456926
Energy: 2.1424815532088357
Energy: 1.9073059096456926
Energy: 2.1313089218445396
Energy: 1.899205022777821
Energy: 2.3645803381964474
Energy: 1.899205022777821
Energy: 2.1137936472464074
Energy: 1.8378182301906922
Energy: 2.18546038563017
Energy: 1.8378182301906922
Energy: 2.0975769717494672
Energy: 1.8381924066780433
Energy: 2.206598787026266
Energy: 1.8381924066780433
Energy: 2.098673354014796
Energy: 1.8628703893212968
Energy: 1.9449138858707806
Energy: 1.8628703893212968
Energy: 2.0990552617169036
Energy: 1.8645516995019487
Energy: 2.140486848967419
Energy: 1.8645516995019487
Energy: 1.9865518178885464
Energy: 1.8388675805076977
Energy: 2.007920993566123
Energy: 1.8388675805076977
Energy: 2.0078991449656223
Energy: 1.838629966206647
Energy: 1.9871141542120159
Energy: 1.838629966206647
Energy: 2.1404817456041227
Energy: 1.8646009878803795
Energy: 2.0981455046978876
Energy: 1.8646009878803795
Energy: 1.9448664469276338
Energy: 1.8627385393107345
Energy: 2.098673354014796
Energy: 1.8627385393107345
Energy: 2.206598787026266
Energy: 1.8382380820315654
Energy: 2.097651003624868
Energy: 1.8382380820315654
Energy: 2.18546038563017
Energy: 1.8377838722135447
Energy: 2.1137806933468912
Energy: 1.8377838722135447
Energy: 2.364619441363295
Energy: 1.900423461682203
Energy: 2.1311776895030277
Energy: 1.900423461682203
Energy: 2.1425045826464126
Energy: 1.9067348880174084
Energy: 2.124285184229273
Energy: 1.9067348880174084
Energy: 1.9849630214020897
Energy: 1.838221102199309
Energy: 2.097660826177059
Energy: 1.838221102199309
Energy: 2.187876834793636
Energy: 1.8382847253286392
Energy: 2.113877444999989
Energy: 1.8382847253286392
Energy: 2.1438725202719797
Energy: 1.8631829645053388
Energy: 2.1593216440499767
Energy: 1.8631829645053388
Energy: 1.944763045532993
Energy: 1.8625938033031306
Energy: 2.0815809695781886
Energy: 1.8625938033031306
Energy: 1.9854934548502639
Energy: 1.929702050222434
Energy: 2.0071982319879482
Energy: 1.929702050222434
Energy: 2.0024603751250676
Energy: 1.8379421031674772
Energy: 1.9863140504548955
Energy: 1.8379421031674772
Energy: 2.0964497110915845
Energy: 1.861160168543624
Energy: 2.1416593472127867
Energy: 1.861160168543624
Energy: 2.0984957188790965
Energy: 1.8631431530675389
Energy: 1.9614053195495842
Energy: 1.8631431530675389
Energy: 2.0420661174465273
Energy: 1.8800727715702277
Energy: 2.084879718365941
Energy: 1.8800727715702277

minimum gb energy = 1.8377838722135447 eV
minimum distance =  2.47612892957367 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 2.281960984200013
Energy: 1.790974180483382
Energy: 2.664513554249777
Energy: 1.790974180483382
Energy: 1.9747031397574406
Energy: 1.8170113922440003
Energy: 2.0349040075481732
Energy: 1.8170113922456053
Energy: 2.134872180207084
Energy: 1.736338448157777
Energy: 2.064250742392535
Energy: 1.736338448157777
Energy: 2.094741409696678
Energy: 1.7826582813131016
Energy: 2.0212420103016973
Energy: 1.7826582813131016
Energy: 2.0222266249397567
Energy: 1.7337065451470137
Energy: 2.0702987712831256
Energy: 1.7337065451470137
Energy: 2.2091200791987586
Energy: 1.7628044307026052
Energy: 2.069571582307904
Energy: 1.7628044307026052
Energy: 1.9270079400591515
Energy: 1.7341897583371457
Energy: 1.9435207555721672
Energy: 1.7341897583371457
Energy: 1.9261698653845967
Energy: 1.8857459679371609
Energy: 2.0335050037956934
Energy: 1.8857459679371609
Energy: 1.927057014582956
Energy: 1.7326954503847243
Energy: 2.033241020082761
Energy: 1.7326954503847243
Energy: 2.21263779035512
Energy: 1.7636534388627099
Energy: 2.0346084644733855
Energy: 1.7636534388627099
Energy: 1.978994230066836
Energy: 1.7307844570958217
Energy: 2.029527916022949
Energy: 1.7307844570958217
Energy: 1.974923197616808
Energy: 1.7674921070432028
Energy: 2.033836358310131
Energy: 1.7674921070432028
Energy: 2.139129065727026
Energy: 1.7311659551306078
Energy: 2.1403926527891803
Energy: 1.7311659551306078
Energy: 1.9660932302623118
Energy: 1.7323927323767854
Energy: 2.140795541121476
Energy: 1.7323927323767854
Energy: 2.1639327942373816
Energy: 1.78469808248723
Energy: 2.0672897728478645
Energy: 1.78469808248723
Energy: 2.166023394175141
Energy: 1.8193415603832583
Energy: 2.0210095801731227
Energy: 1.8193415603832583
Energy: 2.134820628509606
Energy: 1.730687931793457
Energy: 2.1406326767752395
Energy: 1.730687931793457
Energy: 2.0730282977793673
Energy: 1.7335085542615993
Energy: 2.1434627763076457
Energy: 1.7335085542615993
Energy: 1.9746070097066095
Energy: 1.730535103340421
Energy: 2.0670277372223165
Energy: 1.730535103340421
Energy: 1.9754027866547148
Energy: 1.7678314815588045
Energy: 2.067391881042138
Energy: 1.7678314815588045

minimum gb energy = 1.730535103340421 eV
minimum distance =  2.45184584493368 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.1573068368709345
Energy: 1.6234164135883404
Energy: 2.316677879245493
Energy: 1.6234164135883404
Energy: 1.830142124567619
Energy: 2.054328763148695
Energy: 1.822294793380056
Energy: 2.054328763148695
Energy: 1.9278469888478995
Energy: 1.5692046241783006
Energy: 2.115323855144439
Energy: 1.5692046241770472
Energy: 1.9154213036158991
Energy: 1.6008451971549778
Energy: 1.821877708665497
Energy: 1.6008451971549778
Energy: 1.9413814075302172
Energy: 1.5463670035353054
Energy: 1.8560719918171609
Energy: 1.5463670035353054
Energy: 1.927188893110061
Energy: 1.578418135425673
Energy: 1.975889960903813
Energy: 1.578418135425673
Energy: 1.7821057867155925
Energy: 1.5454816265060694
Energy: 1.9368588090671661
Energy: 1.5454816265060694
Energy: 1.961335275441629
Energy: 1.562305768220384
Energy: 2.0593003734378423
Energy: 1.562305768220384
Energy: 1.815924298349649
Energy: 1.5455241562881736
Energy: 1.8358655057488567
Energy: 1.5455241562881736
Energy: 1.9315123733588295
Energy: 1.6251978733166068
Energy: 1.8358268501660786
Energy: 1.6251978733166068
Energy: 1.8015643511997899
Energy: 1.5449393012340944
Energy: 1.8510020760424344
Energy: 1.5449393012340944
Energy: 1.9353858728264812
Energy: 1.565542270947379
Energy: 1.9494738868458374
Energy: 1.565542270947379
Energy: 1.7872208725679049
Energy: 1.5433815589063653
Energy: 1.8938204815973974
Energy: 1.5433815589063653
Energy: 1.9296767023072663
Energy: 1.5671269440578823
Energy: 1.9335796128233145
Energy: 1.5671269440578823
Energy: 1.9140939818062777
Energy: 1.5435809919786407
Energy: 1.8624103811825024
Energy: 1.5435809919786407
Energy: 1.939905198620353
Energy: 1.548962521326691
Energy: 1.8226397105438148
Energy: 1.5489625213254374
Energy: 1.9176985092384273
Energy: 1.5662628644004417
Energy: 2.0221670887268397
Energy: 1.5662628644004417
Energy: 1.811322834766167
Energy: 1.6574070928480593
Energy: 1.9478428943022803
Energy: 1.6574070928480593
Energy: 2.0662717137455675
Energy: 1.6211936981821884
Energy: 1.8541983418196926
Energy: 1.6211936981821884
Energy: 1.830157254686941
Energy: 1.632635109361773
Energy: 1.8233025528465217
Energy: 1.632635109361773
Energy: 1.9143125526076217
Energy: 1.5667326732186448
Energy: 2.022050470879618
Energy: 1.5667326732186448
Energy: 1.8572851822074317
Energy: 1.6061812857481241
Energy: 1.9478670257023447
Energy: 1.6061812857493776
Energy: 1.9005276623957263
Energy: 1.5428172772188347
Energy: 1.8545740522107808
Energy: 1.5428172772188347
Energy: 2.021568718622554
Energy: 1.5481120266438297
Energy: 1.9474985661009978
Energy: 1.5481120266438297
Energy: 1.7804296183681485
Energy: 1.5432140293941512
Energy: 1.8934595868086654
Energy: 1.5432140293954049
Energy: 1.9100745395718
Energy: 1.5629338289692245
Energy: 1.895317594353535
Energy: 1.5629338289692245

minimum gb energy = 1.5428172772188347 eV
minimum distance =  2.48208113061989 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 2.163022575793024
Energy: 1.48714150039197
Energy: 2.0743999049651456
Energy: 1.48714150039197
Energy: 1.6823480368391526
Energy: 1.4751526313286467
Energy: 1.7594175557297893
Energy: 1.4751526313286467
Energy: 1.7598406911881943
Energy: 1.4527496605813095
Energy: 2.001473358427288
Energy: 1.4527496605813095
Energy: 1.7540581309174859
Energy: 1.512216591451259
Energy: 1.7583563166843306
Energy: 1.512216591451259
Energy: 1.981836299450149
Energy: 1.4106290001851571
Energy: 1.7020768678646447
Energy: 1.4106290001851571
Energy: 1.7543092190991678
Energy: 1.477505135823743
Energy: 1.8128112157180853
Energy: 1.477505135823743
Energy: 1.7329788683296694
Energy: 1.3995540696097326
Energy: 1.8469390023032217
Energy: 1.3995540696097326
Energy: 1.8356289080756798
Energy: 1.4503273123430296
Energy: 1.813464356687428
Energy: 1.4503273123430296
Energy: 1.8479436668015345
Energy: 1.399588834830482
Energy: 1.686978697463432
Energy: 1.399588834830482
Energy: 1.9189497359750025
Energy: 1.488480903759836
Energy: 1.8726535163875753
Energy: 1.488480903759836
Energy: 1.7522453010844874
Energy: 1.4054643769636104
Energy: 1.7424469378428504
Energy: 1.4054643769636104
Energy: 1.7529910665357604
Energy: 1.4500672941711084
Energy: 1.8453346705399063
Energy: 1.4500672941711084
Energy: 1.7666478121062372
Energy: 1.4003539309187811
Energy: 1.7297977842237122
Energy: 1.4003539309187811
Energy: 1.9300633935253038
Energy: 1.4149107914480492
Energy: 1.8667341048108779
Energy: 1.4149107914480492
Energy: 1.8051931950492996
Energy: 1.4050795380569796
Energy: 1.6976814229858963
Energy: 1.4050795380569796
Energy: 1.8379844149948168
Energy: 1.4153896150352434
Energy: 1.8666755539100541
Energy: 1.4153896150352434
Energy: 1.7428024147441477
Energy: 1.4042675116494079
Energy: 1.8044262781117466
Energy: 1.4042675116494079
Energy: 1.7718205176014714
Energy: 1.402747765456459
Energy: 1.8406958420395867
Energy: 1.402747765456459
Energy: 1.9001564881602002
Energy: 1.4168160123138014
Energy: 1.7034912821582286
Energy: 1.4168160123138014
Energy: 1.8603946596489251
Energy: 1.4763562985810157
Energy: 1.6822620761220537
Energy: 1.4763562985810157
Energy: 1.7517657506795083
Energy: 1.4489240266898644
Energy: 1.921221551029407
Energy: 1.4489240266898644
Energy: 1.68523150842032
Energy: 1.4990946492524682
Energy: 1.757886789412436
Energy: 1.4990946492524682
Energy: 1.7036394387996605
Energy: 1.4921069312219502
Energy: 1.715531741247956
Energy: 1.4921069312219502
Energy: 1.7862767309023435
Energy: 1.522526313370037
Energy: 1.6822378001906977
Energy: 1.522526313370037
Energy: 1.7510492555529975
Energy: 1.4481989521974263
Energy: 1.9205802345054988
Energy: 1.4481989521974263
Energy: 1.7541704087653116
Energy: 1.4496332528925533
Energy: 1.7583454620176358
Energy: 1.4496332528925533
Energy: 1.9002244212483357
Energy: 1.416503444409415
Energy: 1.7155161815539433
Energy: 1.416503444409415
Energy: 1.8607897001838922
Energy: 1.4409931992184881
Energy: 1.7738152297064589
Energy: 1.4409931992184881
Energy: 1.7385353199714826
Energy: 1.4045994967098683
Energy: 1.80456215211513
Energy: 1.4045994967098683
Energy: 1.8302940168697657
Energy: 1.4042231296340264
Energy: 1.8988146405651258
Energy: 1.4042231296340264
Energy: 1.8048384924499838
Energy: 1.4049749515905634
Energy: 1.692944321054301
Energy: 1.4049749515905634
Energy: 1.816088420863929
Energy: 1.4184358771470091
Energy: 1.8097358673673234
Energy: 1.4184358771470091

minimum gb energy = 1.3995540696097326 eV
minimum distance =  2.48379587161019 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 2.0276916988228186
Energy: 1.3901756918759567
Energy: 1.8924083210496774
Energy: 1.3901756918759567
Energy: 1.644019430218859
Energy: 1.5047192560104925
Energy: 1.6288096326525365
Energy: 1.504719256027904
Energy: 1.627426361586173
Energy: 1.3369009703823402
Energy: 1.9060450988159554
Energy: 1.3369009703823402
Energy: 1.6787278183529863
Energy: 1.4705345650525887
Energy: 1.6284235209875022
Energy: 1.4705345650525887
Energy: 1.8819672989347374
Energy: 1.31696787679107
Energy: 1.5814912618393255
Energy: 1.31696787679107
Energy: 1.6819308735378724
Energy: 1.368591319272146
Energy: 1.6768240889323454
Energy: 1.368591319272146
Energy: 1.6006708284557865
Energy: 1.2896917422559875
Energy: 1.7755075953997623
Energy: 1.2896917422559875
Energy: 1.7367075800411267
Energy: 1.3430730291284214
Energy: 1.6843153923719738
Energy: 1.3430730291284214
Energy: 1.763540911644564
Energy: 1.284191910790083
Energy: 1.57059959381143
Energy: 1.284191910790083
Energy: 1.7406281191643869
Energy: 1.3266666597446037
Energy: 1.7527939472828027
Energy: 1.3266666597446037
Energy: 1.613057323807762
Energy: 1.2839347656751567
Energy: 1.674372319398339
Energy: 1.2839347656751567
Energy: 1.7563160267363482
Energy: 1.3455547087672965
Energy: 1.7912715666498809
Energy: 1.3455547087672965
Energy: 1.6757066650628267
Energy: 1.2887250268384385
Energy: 1.597721326894053
Energy: 1.2887250268384385
Energy: 1.7677999840223866
Energy: 1.324321016310218
Energy: 1.6719754468232653
Energy: 1.324321016310218
Energy: 1.666205379409403
Energy: 1.2882812501002041
Energy: 1.6108285050386406
Energy: 1.2882812501002041
Energy: 1.7569832027653707
Energy: 1.3240813459256064
Energy: 1.7952518460821667
Energy: 1.3240813459256064
Energy: 1.624928634238654
Energy: 1.2884488789424442
Energy: 1.6646111452738113
Energy: 1.2884488789424442
Energy: 1.7579167834421539
Energy: 1.2962122645974035
Energy: 1.7379351949141613
Energy: 1.2962122645974035
Energy: 1.7212051921016434
Energy: 1.2888871052114474
Energy: 1.5765078526909688
Energy: 1.2888871052114474
Energy: 1.7478137744905187
Energy: 1.3196579644690243
Energy: 1.680358781250975
Energy: 1.3196579644690243
Energy: 1.606582377397891
Energy: 1.294323171209001
Energy: 1.7331312529817207
Energy: 1.294323171209001
Energy: 1.626242884548824
Energy: 1.464094610956572
Energy: 1.7469942799806502
Energy: 1.464094610956572
Energy: 1.8060535925496393
Energy: 1.3208472872130634
Energy: 1.5812072985861598
Energy: 1.3208472872130634
Energy: 1.6770295254332168
Energy: 1.4668066165984632
Energy: 1.656539794827478
Energy: 1.4668066165984632
Energy: 1.6217140648856596
Energy: 1.3413712370009294
Energy: 1.8306909503299416
Energy: 1.3413712370009294
Energy: 1.569676748826009
Energy: 1.4021734453966757
Energy: 1.6904015768310672
Energy: 1.4021734453966757
Energy: 1.6897988578133336
Energy: 1.3931567509176006
Energy: 1.590858225259594
Energy: 1.3931567509176006
Energy: 1.644439820596217
Energy: 1.4338861286292006
Energy: 1.627036096945389
Energy: 1.4338861286292006
Energy: 1.6392923168386995
Energy: 1.3412866820357807
Energy: 1.8308232215265858
Energy: 1.3412866820357807
Energy: 1.625680385453132
Energy: 1.3590944443279194
Energy: 1.6925713978517019
Energy: 1.3590944443279194
Energy: 1.806103160698141
Energy: 1.3200930768182209
Energy: 1.5903821844466597
Energy: 1.3200930768182209
Energy: 1.6829275729513586
Energy: 1.355566802468753
Energy: 1.6804951260576884
Energy: 1.355566802468753
Energy: 1.6050612641405333
Energy: 1.2942853754693484
Energy: 1.733678211059529
Energy: 1.2942853754693484
Energy: 1.6957770662143803
Energy: 1.307176266825294
Energy: 1.7472453667379457
Energy: 1.307176266825294
Energy: 1.7212994455015584
Energy: 1.2885042522395758
Energy: 1.6401355337469765
Energy: 1.2885042522395758
Energy: 1.78197381786919
Energy: 1.3172324336770793
Energy: 1.7230721136426694
Energy: 1.3172324336770793
Energy: 1.6109647705321835
Energy: 1.2884849911765344
Energy: 1.664893387848014
Energy: 1.2884849911765344

minimum gb energy = 1.2839347656751567 eV
minimum distance =  2.49644914628767 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 2.005749648578506
Energy: 1.2936476534661268
Energy: 1.7469774394065742
Energy: 1.2936476534661268
Energy: 1.503717061103274
Energy: 1.668892001971944
Energy: 1.5598602454379393
Energy: 1.668892001971189
Energy: 1.5230892197234267
Energy: 1.2696285773782812
Energy: 1.9627800982000967
Energy: 1.2696285773782812
Energy: 1.543926651054334
Energy: 1.2740755067822942
Energy: 1.5601349832348455
Energy: 1.2740755067822942
Energy: 1.848146475554284
Energy: 1.2251416430430215
Energy: 1.4928983658700645
Energy: 1.2251416430430215
Energy: 1.5445614191267454
Energy: 1.2441905235511221
Energy: 1.5799074546042748
Energy: 1.2441905235511221
Energy: 1.5056520627098118
Energy: 1.2074123971962079
Energy: 1.8197859468805815
Energy: 1.2074123971962079
Energy: 1.581549742105105
Energy: 1.2194312960145643
Energy: 1.5798116398026196
Energy: 1.2194312960145643
Energy: 1.717802460586959
Energy: 1.1819948300975454
Energy: 1.5390139607142748
Energy: 1.1819948300975454
Energy: 1.5806119872461886
Energy: 1.209319003397173
Energy: 1.6258545094072838
Energy: 1.209319003397173
Energy: 1.5020841524051505
Energy: 1.1813233834741916
Energy: 1.7050195900430105
Energy: 1.1813233834741916
Energy: 1.647280879385759
Energy: 1.2035417385948237
Energy: 1.6263890826577676
Energy: 1.2035417385948237
Energy: 1.6164615954632358
Energy: 1.1849586751928933
Energy: 1.5473436943376602
Energy: 1.1849586751928933
Energy: 1.6756763498777878
Energy: 1.2322246334339741
Energy: 1.6488191067516564
Energy: 1.2322246334339741
Energy: 1.527355004921189
Energy: 1.1852268471464595
Energy: 1.6203828561536193
Energy: 1.1852268471464595
Energy: 1.6274859515109477
Energy: 1.2183951547138825
Energy: 1.664294465444593
Energy: 1.2183951547138825
Energy: 1.546594014793674
Energy: 1.185187733083277
Energy: 1.5787742468694035
Energy: 1.185187733083277
Energy: 1.67795569308652
Energy: 1.2183465809178378
Energy: 1.6665342250116522
Energy: 1.2183465809178378
Energy: 1.5736414755029222
Energy: 1.1852304905396323
Energy: 1.5676011472654545
Energy: 1.1852304905396323
Energy: 1.6400269258728597
Energy: 1.1864503194619838
Energy: 1.6415725529218073
Energy: 1.1864503194619838
Energy: 1.510182996896652
Energy: 1.1843827884580402
Energy: 1.6336496018727815
Energy: 1.1843827884580402
Energy: 1.580778058962967
Energy: 1.2014772311725024
Energy: 1.6239668262941258
Energy: 1.2014772311725024
Energy: 1.644388323838313
Energy: 1.1843702483265435
Energy: 1.536897785656167
Energy: 1.1843702483265435
Energy: 1.6193518287850508
Energy: 1.3712308747653779
Energy: 1.5453337950576904
Energy: 1.3712308747653779
Energy: 1.5088364624473534
Energy: 1.2103125706048843
Energy: 1.6139733900879458
Energy: 1.2103125706048843
Energy: 1.545258604951963
Energy: 1.3600059821462718
Energy: 1.5943500522238334
Energy: 1.3600059821462718
Energy: 1.6374033027815251
Energy: 1.2272279477968686
Energy: 1.4895027204880706
Energy: 1.2272279477968686
Energy: 1.6080682347327742
Energy: 1.2610769988487656
Energy: 1.4875711125437663
Energy: 1.2610769988495205
Energy: 1.521007888508729
Energy: 1.2713553428042381
Energy: 1.589815358221024
Energy: 1.2713553428042381
Energy: 1.5035138366194984
Energy: 1.3154932848029592
Energy: 1.5600217726397676
Energy: 1.315493284803714
Energy: 1.633012928799987
Energy: 1.2939775204627249
Energy: 1.4880057172960037
Energy: 1.2939775204627249
Energy: 1.6107064795996435
Energy: 1.2978182322960023
Energy: 1.4874173298489985
Energy: 1.2978182322952472
Energy: 1.5187629127652222
Energy: 1.2708412987419972
Energy: 1.5899148149690776
Energy: 1.2708412987419972
Energy: 1.5455752234374094
Energy: 1.273718982091224
Energy: 1.5597051498283787
Energy: 1.273718982091224
Energy: 1.6377377167579368
Energy: 1.226386488602977
Energy: 1.4940589278247194
Energy: 1.226386488602977
Energy: 1.608238085603239
Energy: 1.228761401451281
Energy: 1.544525825307654
Energy: 1.228761401451281
Energy: 1.5079313245397978
Energy: 1.2099771677176099
Energy: 1.6142292630099702
Energy: 1.2099771677176099
Energy: 1.5803213544080683
Energy: 1.2188097226277197
Energy: 1.5930646088856972
Energy: 1.2188097226277197
Energy: 1.6444444562827631
Energy: 1.1842701793650434
Energy: 1.537391001234925
Energy: 1.1842701793650434
Energy: 1.6195983665916214
Energy: 1.1902955663107713
Energy: 1.598997935742356
Energy: 1.1902955662956705
Energy: 1.500509343406185
Energy: 1.1836576367502494
Energy: 1.6335222121113082
Energy: 1.1836576367502494
Energy: 1.64558649087532
Energy: 1.1996267586472693
Energy: 1.627445793076952
Energy: 1.1996267586472693
Energy: 1.573953746155835
Energy: 1.1762563532596195
Energy: 1.5461735773926135
Energy: 1.1762563532596195

minimum gb energy = 1.1762563532596195 eV
minimum distance =  2.49457052375113 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014699281831122056
Energy: 0.01791788819599977
Energy: 2.2944845910349114
Energy: 0.01791788819599977
Energy: 0.017149274183000874
Energy: 1.6383202128293497
Energy: 0.017149274183000874
Energy: 1.6383202128293497
Energy: 2.056109848964453
Energy: 0.01791788819599977
Energy: 0.014699281831122056
Energy: 0.01791788819599977
Energy: 0.017149274183000874
Energy: 1.6383202128293497
Energy: 0.017149274183000874
Energy: 1.6383202128293497
Energy: 0.014699281831122056
Energy: 0.01791788819599977
Energy: 2.2944845910349114
Energy: 0.01791788819599977
Energy: 0.017149274183000874
Energy: 1.6383202128293497
Energy: 0.017149274183000874
Energy: 1.6383202128293497

minimum gb energy = 0.014699281831122056 eV
minimum distance =  2.71526152897666 Angstroms
sigma value = 1