Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650807976723
cohesive_energy=3.360264253215876
mass=26.981538
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: 0.0 eV

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

Energy: 0.010383043787757125
Energy: 0.01086819139642482
Energy: 0.7164400969734962
Energy: 0.010868191395923781
Energy: 0.010868191395923781
Energy: 0.5098363201780116
Energy: 0.010868191395923781
Energy: 0.5098363201780116
Energy: 0.7164400969734962
Energy: 0.010868191395923781
Energy: 0.010383043787757125
Energy: 0.010868191395923781
Energy: 0.010868191395923781
Energy: 0.5098363201775383
Energy: 0.010868191395923781
Energy: 0.5098363201775383

minimum gb energy = 0.010383043787757125 eV
minimum distance =  2.7079058906631 Angstroms
sigma value = 1


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

Energy: 0.5703966836154895
Energy: 0.5618957528825544
Energy: 0.5995697022071489
Energy: 0.5618957528825544
Energy: 0.5593935386356766
Energy: 0.5699669598517791
Energy: 0.5404980953877242
Energy: 0.5699669598511715
Energy: 0.5398377538331053
Energy: 0.5539258877159495
Energy: 0.5532619637595372
Energy: 0.5539258877159495
Energy: 0.543126362332043
Energy: 0.5731333762232519
Energy: 0.5444371448708802
Energy: 0.5731333762232519
Energy: 0.5448632378926446
Energy: 0.5683425272276471
Energy: 0.5519615968797246
Energy: 0.5683425272270394
Energy: 0.5390233328893137
Energy: 0.625177540266993
Energy: 0.5355921586256082
Energy: 0.6251775402663854
Energy: 0.5609185605439055
Energy: 0.5521724805160836
Energy: 0.53950033688953
Energy: 0.5521724805160836
Energy: 0.5241936196371998
Energy: 0.5659013706680442
Energy: 0.536773261939185
Energy: 0.5659013706680442
Energy: 0.5442223977034263
Energy: 0.5507143579767746
Energy: 0.5515419137706886
Energy: 0.5507143579767746
Energy: 0.5396612077950829
Energy: 0.5532098663588189
Energy: 0.5248008107763034
Energy: 0.5532098663588189
Energy: 0.542451905883693
Energy: 0.5680490904511556
Energy: 0.5441973304222912
Energy: 0.5680490904511556
Energy: 0.5735297832976233
Energy: 0.565840469113399
Energy: 0.5443097861248807
Energy: 0.5658404691127915
Energy: 0.5395174441747047
Energy: 0.5541765167186078
Energy: 0.5611640797265139
Energy: 0.5541765167180002
Energy: 0.552128751439847
Energy: 0.5620074314418781
Energy: 0.5431336417383473
Energy: 0.5620074314418781
Energy: 0.5521560373931721
Energy: 0.5668337003622358
Energy: 0.5484651927817302
Energy: 0.5668337003622358
Energy: 0.5559064789643714
Energy: 0.5619004145797927
Energy: 0.5521624022738644
Energy: 0.5619004145810078
Energy: 0.5533152783357688
Energy: 0.5538419470501198
Energy: 0.5306795072544537
Energy: 0.5538419470495121
Energy: 0.5406023879120316
Energy: 0.5624080452771769
Energy: 0.5729197398171006
Energy: 0.5624080452771769
Energy: 0.572966843202727
Energy: 0.5641754680633378
Energy: 0.5457561959800554
Energy: 0.5641754680633378
Energy: 0.5514492636872178
Energy: 0.6254034358248663
Energy: 0.5451466636558153
Energy: 0.6254034358242586
Energy: 0.5400770679841654
Energy: 0.553815906655931
Energy: 0.5294714309472479
Energy: 0.553815906655931
Energy: 0.544352123040991
Energy: 0.6364443465067656
Energy: 0.5519808264166938
Energy: 0.6364443465067656
Energy: 0.55232523928154
Energy: 0.5683371629572593
Energy: 0.5340265608150294
Energy: 0.5683371629572593
Energy: 0.548163555881756
Energy: 0.5535429867716094
Energy: 0.5390381835781416
Energy: 0.5535429867716094
Energy: 0.5394596895018683
Energy: 0.6277536554269209
Energy: 0.5618501750988002
Energy: 0.6277536554269209
Energy: 0.5467923229126134
Energy: 0.5657782533449174
Energy: 0.5452171901689078
Energy: 0.5657782533449174
Energy: 0.556747213444694
Energy: 0.6220922714537217
Energy: 0.5442882171919253
Energy: 0.6220922714543294
Energy: 0.5360424800817017
Energy: 0.5521719998077306
Energy: 0.5596772490569539
Energy: 0.5521719998077306
Energy: 0.5588420776718906
Energy: 0.5677842566901146
Energy: 0.5511700309585418
Energy: 0.5677842566901146
Energy: 0.5709423922562177
Energy: 0.5624300006135496
Energy: 0.576244014604736
Energy: 0.5624300006141574
Energy: 0.5545894093164867
Energy: 0.5594329880274704
Energy: 0.5394431748499215
Energy: 0.5594329880274704
Energy: 0.5460835861945054
Energy: 0.5563101804293759
Energy: 0.5520147869932731
Energy: 0.5563101804293759
Energy: 0.544734804208291
Energy: 0.5744300598628539
Energy: 0.5460535916401983
Energy: 0.5744300598628539

minimum gb energy = 0.5241936196371998 eV
minimum distance =  2.5761839956261 Angstroms
sigma value = 1


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

Energy: 0.5947388283647501
Energy: 0.6040377446981208
Energy: 0.6138273165823309
Energy: 0.6040377446981208
Energy: 0.5747333073572697
Energy: 0.5943215928535956
Energy: 0.5582422840721165
Energy: 0.5943215928570599
Energy: 0.5695420494772973
Energy: 0.6069201346209934
Energy: 0.5897831617547554
Energy: 0.6069201346216863
Energy: 0.5599599555907009
Energy: 0.6036600946238861
Energy: 0.5582122747326256
Energy: 0.6036600946231934
Energy: 0.5602501816496624
Energy: 0.5898763096987653
Energy: 0.5741315500939542
Energy: 0.5898763096973796
Energy: 0.6033629719778689
Energy: 0.5900918308799514
Energy: 0.5684156333573697
Energy: 0.5900918308820301
Energy: 0.5747481015841416
Energy: 0.636539984630794
Energy: 0.5648205803195407
Energy: 0.6365399846328724
Energy: 0.5457444120599688
Energy: 0.6049073726631065
Energy: 0.5626949542814894
Energy: 0.6049073726644921
Energy: 0.5598085590813078
Energy: 0.671215884095812
Energy: 0.5475139897194086
Energy: 0.6712158840965049
Energy: 0.5652657340260044
Energy: 0.6050539339951603
Energy: 0.5789142093919258
Energy: 0.605053933995853
Energy: 0.5747616665894952
Energy: 0.5856081442358674
Energy: 0.5583544712109326
Energy: 0.5856081442344817
Energy: 0.5524827801677459
Energy: 0.596301029721426
Energy: 0.5899209682683927
Energy: 0.5963010297207333
Energy: 0.580458767059617
Energy: 0.5875463280546104
Energy: 0.5647851930891153
Energy: 0.5875463280559962
Energy: 0.5798370004845053
Energy: 0.5875394517070912
Energy: 0.5769735182106334
Energy: 0.5875394517077839
Energy: 0.5525183198524098
Energy: 0.5963044132180448
Energy: 0.5711218666545691
Energy: 0.5963044132173518
Energy: 0.5748351812729355
Energy: 0.5858747672687734
Energy: 0.5582137808795676
Energy: 0.5858747672673877
Energy: 0.565125657101117
Energy: 0.605050904172125
Energy: 0.5597020620548566
Energy: 0.6050509041707394
Energy: 0.5598178347442455
Energy: 0.6711710885329347
Energy: 0.54752581645448
Energy: 0.671171088531549
Energy: 0.545730688304782
Energy: 0.606512314707313
Energy: 0.5610003003843052
Energy: 0.606512314707313
Energy: 0.5747326930013623
Energy: 0.6364078130402057
Energy: 0.5609142889626403
Energy: 0.6364078130415913
Energy: 0.6033762004364134
Energy: 0.5898305675233674
Energy: 0.5537190589124396
Energy: 0.589830567524753
Energy: 0.5599885196290243
Energy: 0.589865982516431
Energy: 0.5688476752253806
Energy: 0.589865982516431
Energy: 0.5601012552073033
Energy: 0.6036323525806787
Energy: 0.5583048361542235
Energy: 0.6036323525806787
Energy: 0.569643223476531
Energy: 0.6068749337416908
Energy: 0.5691088484379244
Energy: 0.6068749337416908
Energy: 0.5748001833359349
Energy: 0.5950213615126799
Energy: 0.5581119067263871
Energy: 0.5950213615119869
Energy: 0.5947388283647501
Energy: 0.6040377446988134
Energy: 0.6122257224276243
Energy: 0.6040377446981208
Energy: 0.5747333073572697
Energy: 0.5943215928535956
Energy: 0.5582422840721165
Energy: 0.5943215928570599
Energy: 0.5695420494766045
Energy: 0.6069201346209934
Energy: 0.5784768194959344
Energy: 0.6069201346216863
Energy: 0.559959955590008
Energy: 0.6036600946238861
Energy: 0.5583885814086985
Energy: 0.6036600946231934

minimum gb energy = 0.545730688304782 eV
minimum distance =  2.52405313303836 Angstroms
sigma value = 25


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

Energy: 0.6085107239116844
Energy: 0.6264338495938087
Energy: 0.6762789254017995
Energy: 0.6264338495938087
Energy: 0.5801284328673673
Energy: 0.6274941271226022
Energy: 0.5877272063431471
Energy: 0.6274941271226022
Energy: 0.5784674794588103
Energy: 0.6524456825398022
Energy: 0.5884696387311028
Energy: 0.6524456825398022
Energy: 0.587866145462823
Energy: 0.6440894130295762
Energy: 0.5789754906053045
Energy: 0.6440894130295762
Energy: 0.5809777221342596
Energy: 0.628441491107712
Energy: 0.5819901084148797
Energy: 0.628441491107712
Energy: 0.6344784203168609
Energy: 0.6534163670449591
Energy: 0.5930613458211891
Energy: 0.6534163670449591
Energy: 0.578701055923549
Energy: 0.6764020098939374
Energy: 0.5935416393180051
Energy: 0.6764020098939374
Energy: 0.681609143047191
Energy: 0.6281437840797512
Energy: 0.5710003371878944
Energy: 0.6281437840797512
Energy: 0.5936041043092045
Energy: 0.6093477662863509
Energy: 0.5787072233835249
Energy: 0.6093477662863509
Energy: 0.5979053227507267
Energy: 0.6533687698071914
Energy: 0.5761442265597175
Energy: 0.6533687698071914
Energy: 0.5791637328251995
Energy: 0.6256936912256816
Energy: 0.5856473947687992
Energy: 0.6256936912256816
Energy: 0.5709911832799963
Energy: 0.6265285127780577
Energy: 0.5856347993164374
Energy: 0.6265285127780577
Energy: 0.5883321612599195
Energy: 0.6452428548667222
Energy: 0.5758464864212063
Energy: 0.6452428548667222
Energy: 0.5938258718436088
Energy: 0.6405235361279842
Energy: 0.5803450936615527
Energy: 0.6405235361279842
Energy: 0.6283557428905894
Energy: 0.6287136331836227
Energy: 0.569950977979471
Energy: 0.6287136331836227
Energy: 0.5785719973966404
Energy: 0.5893024845758768
Energy: 0.5808683093284095
Energy: 0.5893024845758768
Energy: 0.5696315299913449
Energy: 0.6524898843225745
Energy: 0.5670956574916787
Energy: 0.6524898843225745
Energy: 0.5789401733650965
Energy: 0.6152801306329471
Energy: 0.580556686507503
Energy: 0.6152801306329471
Energy: 0.5896545953351021
Energy: 0.6450936186520138
Energy: 0.5811389061468883
Energy: 0.6450936186520138
Energy: 0.5930342315647589
Energy: 0.6537499416766719
Energy: 0.586292218191244
Energy: 0.6537499416766719
Energy: 0.5912655283680507
Energy: 0.6272815000648
Energy: 0.5857166752358759
Energy: 0.6272815000648
Energy: 0.609378292659328
Energy: 0.6276184537349632
Energy: 0.6365068518649601
Energy: 0.6276184537349632
Energy: 0.5787684050673885
Energy: 0.61511449861193
Energy: 0.5862863845160613
Energy: 0.61511449861193
Energy: 0.5817475575868308
Energy: 0.6518558506600115
Energy: 0.5973053086744033
Energy: 0.6518558506608169
Energy: 0.585909588923363
Energy: 0.6244566765585668
Energy: 0.578837684864684
Energy: 0.6244566765593723

minimum gb energy = 0.5670956574916787 eV
minimum distance =  2.52992029909977 Angstroms
sigma value = 9


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

Energy: 0.6370414085407773
Energy: 0.6950793378030411
Energy: 0.742936836769599
Energy: 0.6950793378030411
Energy: 0.6237085085489947
Energy: 0.661389627070222
Energy: 0.6035629665334364
Energy: 0.661389627070222
Energy: 0.5910190131988355
Energy: 0.6833697571987304
Energy: 0.6031400210186344
Energy: 0.6833697571977697
Energy: 0.5962305831072339
Energy: 0.6999116294551443
Energy: 0.5959987644474536
Energy: 0.6999116294541835
Energy: 0.6341194237672748
Energy: 0.6457598561478878
Energy: 0.5973833428301286
Energy: 0.6457598561478878
Energy: 0.597388653657811
Energy: 0.6860789606530407
Energy: 0.6102924038758011
Energy: 0.6860789606530407
Energy: 0.5963572062177815
Energy: 0.5950215179220651
Energy: 0.5955642729549188
Energy: 0.5950215179230259
Energy: 0.6265935966905642
Energy: 0.6859835190684059
Energy: 0.6096499981728075
Energy: 0.6859835190684059
Energy: 0.5963697339864125
Energy: 0.6469686939906866
Energy: 0.6116168145796365
Energy: 0.6469686939906866
Energy: 0.5965130330014952
Energy: 0.6952523673477753
Energy: 0.5973827314446083
Energy: 0.6952523673477753
Energy: 0.5963772631548666
Energy: 0.6812146467163662
Energy: 0.6088544772372302
Energy: 0.6812146467163662
Energy: 0.5964867842604025
Energy: 0.6578520845603166
Energy: 0.6096806716983921
Energy: 0.6578520845612774
Energy: 0.5988892662423289
Energy: 0.6841968211439833
Energy: 0.6181958153524341
Energy: 0.6841968211449442
Energy: 0.6237813957779974
Energy: 0.6707439441164121
Energy: 0.5970773528923783
Energy: 0.6707439441164121
Energy: 0.5990263296843982
Energy: 0.6858704818148674
Energy: 0.6342452101493005
Energy: 0.6858704818148674
Energy: 0.5968379669595014
Energy: 0.6953833805432102
Energy: 0.5962926156724137
Energy: 0.6953833805432102
Energy: 0.6292918118363401
Energy: 0.6721670161369458
Energy: 0.6031604368662209
Energy: 0.6721670161369458
Energy: 0.609231039026635
Energy: 0.6958328018710581
Energy: 0.5982163013426572
Energy: 0.6958328018710581
Energy: 0.6100455765189405
Energy: 0.6450894478975012
Energy: 0.6040386986342784
Energy: 0.6450894478975012
Energy: 0.6587068748395003
Energy: 0.684053519937354
Energy: 0.6096865603189435
Energy: 0.684053519937354
Energy: 0.5962960245411257
Energy: 0.6632122990552151
Energy: 0.6100616090378675
Energy: 0.6632122990552151

minimum gb energy = 0.5910190131988355 eV
minimum distance =  2.5713757179123 Angstroms
sigma value = 25


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

Energy: 0.6039393995901371
Energy: 0.7081751732601193
Energy: 0.6804149513125349
Energy: 0.708175173258931
Energy: 0.592988088293214
Energy: 0.6014981742117187
Energy: 0.5880371801365513
Energy: 0.6014981742093694
Energy: 0.5881002502834426
Energy: 0.657809807066677
Energy: 0.5951292978608792
Energy: 0.6578098070714298
Energy: 0.603259965064747
Energy: 0.6585495163970089
Energy: 0.6778138311958397
Energy: 0.6585495163970089
Energy: 0.6769714599960849
Energy: 0.5928367988340757
Energy: 0.6124942509866496
Energy: 0.5928367988340757
Energy: 0.5903654024352943
Energy: 0.733079593784908
Energy: 0.5889908225657227
Energy: 0.7330795937860962
Energy: 0.6129966401000705
Energy: 0.6571310309036531
Energy: 0.5876944292925601
Energy: 0.6571310309036531
Energy: 0.6704262123375221
Energy: 0.7087518447940943
Energy: 0.6031746269513525
Energy: 0.708751844792906
Energy: 0.5952056862530483
Energy: 0.6597803202385408
Energy: 0.5931442097730162
Energy: 0.659780320239729
Energy: 0.688065487598392
Energy: 0.6731833635994318
Energy: 0.5902561742026021
Energy: 0.6731833635994318
Energy: 0.6291475810189952
Energy: 0.7081460958627436
Energy: 0.7584639186214087
Energy: 0.7081460958627436
Energy: 0.5882118441200845
Energy: 0.6073940659004222
Energy: 0.6901503644629332
Energy: 0.6073940659004222
Energy: 0.6799299794332885
Energy: 0.6729787414135896
Energy: 0.5876385610459205
Energy: 0.6729787414124015
Energy: 0.5878614609783398
Energy: 0.6630631163792778
Energy: 0.6035146420370419
Energy: 0.6630631163792778
Energy: 0.5878985118142647
Energy: 0.7077611690637013
Energy: 0.6707164633967183
Energy: 0.7077611690637013
Energy: 0.5952654994799885
Energy: 0.658257412310454
Energy: 0.590375874101071
Energy: 0.6582574121037891
Energy: 0.5951223085079353
Energy: 0.6258558031652662
Energy: 0.6882594294512538
Energy: 0.6258558031652662

minimum gb energy = 0.5876385610459205 eV
minimum distance =  2.61384455076652 Angstroms
sigma value = 17


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

Energy: 0.659253233474021
Energy: 0.6600761780374164
Energy: 0.7649881183534334
Energy: 0.6600761780374164
Energy: 0.6849012729038314
Energy: 0.6292084937582347
Energy: 0.6007638524561941
Energy: 0.6292084937575617
Energy: 0.6907409253155172
Energy: 0.6579789336789751
Energy: 0.6043874824993779
Energy: 0.6579789336789751
Energy: 0.5999556904221204
Energy: 0.604365648496564
Energy: 0.6499865395867603
Energy: 0.604365648496564
Energy: 0.7023718932031595
Energy: 0.6746668455369305
Energy: 0.6175964040186266
Energy: 0.6746668455369305
Energy: 0.6045246620209553
Energy: 0.6132269732954372
Energy: 0.6857259684817982
Energy: 0.6132269732947643
Energy: 0.6014496391096473
Energy: 0.6545553331061917
Energy: 0.6046169049630215
Energy: 0.6545553331061917
Energy: 0.6844426794135957
Energy: 0.6046645774811327
Energy: 0.6056810821123186
Energy: 0.6046645774804598
Energy: 0.6047420753535372
Energy: 0.6765680319455437
Energy: 0.6945246009408563
Energy: 0.6765680319455437
Energy: 0.7466192321133028
Energy: 0.6349011151504768
Energy: 0.6026920932541187
Energy: 0.6349011151498039
Energy: 0.6006200266642567
Energy: 0.6055766990660242
Energy: 0.6919418632038572
Energy: 0.605576699065351
Energy: 0.6052780635789121
Energy: 0.6523337413467107
Energy: 0.6061483080804895
Energy: 0.6523337413467107
Energy: 0.6856958213880296
Energy: 0.6058501079407365
Energy: 0.6046866185902575
Energy: 0.6058501079407365
Energy: 0.6024349755157115
Energy: 0.6100497244830898
Energy: 0.6849124040682992
Energy: 0.6100497244783792
Energy: 0.6524995287122611
Energy: 0.6545854212033305
Energy: 0.6053500843824716
Energy: 0.6545854212033305
Energy: 0.6849825821509518
Energy: 0.604794894794541
Energy: 0.6998485141334947
Energy: 0.604794894795214
Energy: 0.6045953152659048
Energy: 0.6426398065551444
Energy: 0.6979504723644159
Energy: 0.6426398065551444
Energy: 0.683908670616051
Energy: 0.6578480276998439
Energy: 0.6043528714491296
Energy: 0.657848027699171
Energy: 0.6009860361801945
Energy: 0.6584207525060676
Energy: 0.6455429560721865
Energy: 0.6584207525060676
Energy: 0.6005997458107444
Energy: 0.6059566692682467
Energy: 0.5999775607935801
Energy: 0.6059566692413294
Energy: 0.6492299506126756
Energy: 0.6583632354948403
Energy: 0.6908935078999707
Energy: 0.6583632354955131
Energy: 0.601778743898642
Energy: 0.6886568567787734
Energy: 0.7460462302420621
Energy: 0.6886568567787734
Energy: 0.699086250153352
Energy: 0.6598730375596613
Energy: 0.5988623654579535
Energy: 0.6598730375589885
Energy: 0.6038445589617303
Energy: 0.6562481315555546
Energy: 0.6835229966235484
Energy: 0.6562481315555546
Energy: 0.6039857858733556
Energy: 0.6580920350052248
Energy: 0.6845037536195671
Energy: 0.6580920350058977
Energy: 0.6964193873684711
Energy: 0.6047907117895014
Energy: 0.5995038424931266
Energy: 0.6047907117888283
Energy: 0.6072658097757393
Energy: 0.6891505563922506
Energy: 0.7591570159442329
Energy: 0.6891505563929234
Energy: 0.6863054592084417
Energy: 0.613040225822339
Energy: 0.691519237940658
Energy: 0.613040225822339
Energy: 0.726797990492623
Energy: 0.6062899732109861
Energy: 0.6013152251289687
Energy: 0.6062899732109861
Energy: 0.604691045503197
Energy: 0.6776484866467886
Energy: 0.6854562665243263
Energy: 0.6776484866467886

minimum gb energy = 0.5988623654579535 eV
minimum distance =  2.49534976389985 Angstroms
sigma value = 53


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

Energy: 0.5521524933583754
Energy: 0.5523335459776183
Energy: 0.715771397445604
Energy: 0.5523335459776183
Energy: 0.6732617369923115
Energy: 0.6007987355582378
Energy: 0.6464990501918921
Energy: 0.6007987355582378
Energy: 0.5529123996985721
Energy: 0.552669648778306
Energy: 0.5739009014592601
Energy: 0.552669648778306
Energy: 0.5528094321334965
Energy: 0.5526939344336087
Energy: 0.5739370927417345
Energy: 0.552693934435158
Energy: 0.6732580950960502
Energy: 0.600791651499574
Energy: 0.6579220562939032
Energy: 0.600791651499574
Energy: 0.5521524933583754
Energy: 0.5523335459776183
Energy: 0.7746828216367542
Energy: 0.5523335459776183
Energy: 0.6732617369907623
Energy: 0.6007987355582378
Energy: 0.6669511303726936
Energy: 0.6007987355582378
Energy: 0.5529123997001213
Energy: 0.552669648778306
Energy: 0.6403627255777217
Energy: 0.552669648778306
Energy: 0.5528094321334965
Energy: 0.552693934435158
Energy: 0.6477172614648128
Energy: 0.552693934435158
Energy: 0.6732580950975993
Energy: 0.6007916514980247
Energy: 0.6777875956515941
Energy: 0.6007916514980247
Energy: 0.5521524933583754
Energy: 0.5523335459776183
Energy: 0.8071206086176285
Energy: 0.5523335459776183
Energy: 0.6732617369907623
Energy: 0.6007987355582378
Energy: 0.6669511303726936
Energy: 0.6007987355582378
Energy: 0.5529123997001213
Energy: 0.552669648778306
Energy: 0.6672140459000526
Energy: 0.552669648778306

minimum gb energy = 0.5521524933583754 eV
minimum distance =  2.60637577732388 Angstroms
sigma value = 9


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

Energy: 0.6202780740248317
Energy: 0.6288585975643488
Energy: 0.8100560123180321
Energy: 0.6288585975643488
Energy: 0.7518082082342762
Energy: 0.6502744677310901
Energy: 0.6340853490168729
Energy: 0.6502744677310901
Energy: 0.6278247250983691
Energy: 0.6147243161009506
Energy: 0.637777036803892
Energy: 0.614724316100377
Energy: 0.7029361935090546
Energy: 0.7303632683966734
Energy: 0.6352770615681235
Energy: 0.7303632683966734
Energy: 0.6926707690224123
Energy: 0.641490453284815
Energy: 0.6329074474445849
Energy: 0.6414904532853885
Energy: 0.6142892277584304
Energy: 0.6140708994045104
Energy: 0.7254856043523842
Energy: 0.6140708994039371
Energy: 0.8228758697260684
Energy: 0.6383934969890138
Energy: 0.6349622948950607
Energy: 0.6383934969895874
Energy: 0.6296139891486522
Energy: 0.6832170324486729
Energy: 0.688144234690372
Energy: 0.6832170324480995
Energy: 0.6295593975547613
Energy: 0.7322017683529524
Energy: 0.6218012016846195
Energy: 0.7322017683529524
Energy: 0.6276006824146699
Energy: 0.6428076093433036
Energy: 0.6283739611664246
Energy: 0.6428076093438769
Energy: 0.6334144122757058
Energy: 0.7234909852715885
Energy: 0.7905726946608653
Energy: 0.7234909852715885
Energy: 0.6890259152370685
Energy: 0.7597998914792102
Energy: 0.6351549066706903
Energy: 0.7597998914792102
Energy: 0.6306431260040946
Energy: 0.6794676013195506
Energy: 0.7299136849946295
Energy: 0.6794676013189773
Energy: 0.7246514912488392
Energy: 0.7238742035456188
Energy: 0.624699496458085
Energy: 0.7238742035456188
Energy: 0.6352770250513174
Energy: 0.6887233419780648
Energy: 0.651999568454139
Energy: 0.6887233419786383
Energy: 0.6355656611170845
Energy: 0.7322205424941042
Energy: 0.7135069939719957
Energy: 0.7322205424941042
Energy: 0.6506122537127211
Energy: 0.6885295791658543
Energy: 0.6314232474463
Energy: 0.6885295791664277
Energy: 0.6344492183744057
Energy: 0.6385610856331216
Energy: 0.7197913890802687
Energy: 0.6385610856331216
Energy: 0.6996094774544322
Energy: 0.6797310078944051
Energy: 0.6160460476245497
Energy: 0.6797310078949785
Energy: 0.6360001358066988
Energy: 0.6497549988890352
Energy: 0.6959706651510187
Energy: 0.6497549988896086
Energy: 0.6862065790106907
Energy: 0.7257734462267865
Energy: 0.6890909844878895
Energy: 0.7257734462262131
Energy: 0.6531879749408672
Energy: 0.6824079370271703
Energy: 0.6298744815916478
Energy: 0.6824079370271703
Energy: 0.6219794331486701
Energy: 0.6790447920124794
Energy: 0.6317539915705728
Energy: 0.6790447920124794
Energy: 0.7816489854709542
Energy: 0.6839084022667408
Energy: 0.6300328884204934
Energy: 0.6839084022667408
Energy: 0.6348996247885438
Energy: 0.7600589246825521
Energy: 0.7810533465959838
Energy: 0.7600589246831255
Energy: 0.6802836419635677
Energy: 0.6146458985606902
Energy: 0.629458356314891
Energy: 0.6146458985606902
Energy: 0.6460197732037372
Energy: 0.6531867053417553
Energy: 0.7083167213301048
Energy: 0.6531867053423287
Energy: 0.6295940403028093
Energy: 0.7221312616278939
Energy: 0.7224425401055908
Energy: 0.7221312616273204
Energy: 0.6772075856086059
Energy: 0.6142374991382681
Energy: 0.6285461158690638
Energy: 0.6142374991388415
Energy: 0.6341491801344935
Energy: 0.790396816056237
Energy: 0.7814788802209996
Energy: 0.790396816056237
Energy: 0.7780281644614202
Energy: 0.7275343607633417
Energy: 0.6290935907240487
Energy: 0.7275343607633417
Energy: 0.6250750957822351
Energy: 0.6430599456331793
Energy: 0.6296992683193975
Energy: 0.6430599456331793
Energy: 0.6272038907422974
Energy: 0.6817888595777964
Energy: 0.6281253341887671
Energy: 0.6817888595783698
Energy: 0.685707323948939
Energy: 0.7232284136466671
Energy: 0.7139653908228147
Energy: 0.7232284136460937
Energy: 0.6448701966537563
Energy: 0.6922308206728078
Energy: 0.8223882843007156
Energy: 0.6922308206728078

minimum gb energy = 0.6140708994039371 eV
minimum distance =  2.55691868370513 Angstroms
sigma value = 73


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

Energy: 0.6639878648211635
Energy: 0.6259547745054848
Energy: 0.7883572777941281
Energy: 0.625954774504575
Energy: 0.6355283998068476
Energy: 0.6565919885327456
Energy: 0.6291013799857037
Energy: 0.6565919885327456
Energy: 0.6342300331437355
Energy: 0.6297444508658419
Energy: 0.619811837650025
Energy: 0.6297444508658419
Energy: 0.639721946223623
Energy: 0.6281409239472108
Energy: 0.6444431179353358
Energy: 0.628140923946301
Energy: 0.6553220218852163
Energy: 0.6589328049872788
Energy: 0.6201696659675439
Energy: 0.6589328049872788
Energy: 0.6374171945628091
Energy: 0.6211476847103266
Energy: 0.7851016776458478
Energy: 0.6211476847103266
Energy: 0.7314841079718776
Energy: 0.7054561474006229
Energy: 0.6393347152547673
Energy: 0.7054561473997132
Energy: 0.6327409797692879
Energy: 0.614792823449245
Energy: 0.6948511960492505
Energy: 0.614792823449245
Energy: 0.8407464721986181
Energy: 0.6164576112459712
Energy: 0.6169465389391082
Energy: 0.6164576112459712
Energy: 0.6173315433996619
Energy: 0.65996099131791
Energy: 0.6166111936926091
Energy: 0.65996099131791
Energy: 0.62902329438883
Energy: 0.6166489272932862
Energy: 0.7687007744877218
Energy: 0.6166489272932862
Energy: 0.6596732403034579
Energy: 0.6257165410515196
Energy: 0.6399113365657222
Energy: 0.6257165410515196
Energy: 0.6318432122917509
Energy: 0.6496127887867771
Energy: 0.7293508233638122
Energy: 0.6496127887867771
Energy: 0.7819914220565242
Energy: 0.686290531265473
Energy: 0.6400980438675452
Energy: 0.686290531265473
Energy: 0.6340918017013595
Energy: 0.6654844709743994
Energy: 0.735228634688495
Energy: 0.6654844709743994
Energy: 0.7719647843569019
Energy: 0.6159414900652772
Energy: 0.6339697525755403
Energy: 0.6159414900652772
Energy: 0.6674658526151731
Energy: 0.6792998561381711
Energy: 0.6341582353418724
Energy: 0.6792998561381711
Energy: 0.6663594583198652
Energy: 0.6793370627709132
Energy: 0.6407657490940308
Energy: 0.6793370627700241
Energy: 0.7131920815309666
Energy: 0.6145773488298193
Energy: 0.6325665625065402
Energy: 0.614577348830729
Energy: 0.6361960443135085
Energy: 0.6648926451760908
Energy: 0.8010467411534378
Energy: 0.6648926451760908
Energy: 0.770640359919725
Energy: 0.6209668183580895
Energy: 0.6382572803119588
Energy: 0.6209668183571797
Energy: 0.6443309270568118
Energy: 0.6556964855320947
Energy: 0.7121723150558688
Energy: 0.655696485531185

minimum gb energy = 0.6145773488298193 eV
minimum distance =  2.54591724073175 Angstroms
sigma value = 7


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

Energy: 0.6312782314684645
Energy: 0.6311018010218379
Energy: 0.8182868085148318
Energy: 0.6311018010230953
Energy: 0.748957382853574
Energy: 0.65447901660709
Energy: 0.6187696579951005
Energy: 0.6544790166064466
Energy: 0.624641672599148
Energy: 0.6316093896855702
Energy: 0.642044955494013
Energy: 0.6316093896868566
Energy: 0.6568025650123311
Energy: 0.660317624390854
Energy: 0.6282520018111231
Energy: 0.6603176243914973
Energy: 0.6249512630377461
Energy: 0.649473793065605
Energy: 0.6324589960642618
Energy: 0.6494737930662483
Energy: 0.6251803081253391
Energy: 0.6322493054885125
Energy: 0.7875723100101818
Energy: 0.6322493054897991
Energy: 0.7318305161455044
Energy: 0.6922747634798959
Energy: 0.6505749746285862
Energy: 0.6922747634786094
Energy: 0.6250543752127989
Energy: 0.6314072221265529
Energy: 0.8276953704658332
Energy: 0.6314072221239797
Energy: 0.7060408908566129
Energy: 0.6558025912627755
Energy: 0.6269685064691323
Energy: 0.6558025912634188
Energy: 0.6247132793719966
Energy: 0.6656673076393304
Energy: 0.7028936723092818
Energy: 0.6656673076393304
Energy: 0.6561460281659265
Energy: 0.7082733676802525
Energy: 0.6509278560223792
Energy: 0.708273367678966
Energy: 0.6311737346722718
Energy: 0.649461442847056
Energy: 0.6562082411731948
Energy: 0.649461442847056
Energy: 0.6336819128062094
Energy: 0.632411442424562
Energy: 0.6545641501369635
Energy: 0.6324114424226324
Energy: 0.6317507970663895
Energy: 0.6286448033647163
Energy: 0.6441896535697966
Energy: 0.6286448033647163
Energy: 0.6163279824016269
Energy: 0.6598728536680729
Energy: 0.7549448150856855
Energy: 0.6598728536687162
Energy: 0.8262502115127367
Energy: 0.6279973075211859
Energy: 0.6317324060567443
Energy: 0.6279973075205426
Energy: 0.625630417770689
Energy: 0.6482265611813977
Energy: 0.6985745256684232
Energy: 0.6482265611813977
Energy: 0.6258628860093585
Energy: 0.6254938186947484
Energy: 0.6441299614041365
Energy: 0.6254938186953917
Energy: 0.6257859085868996
Energy: 0.7079842816677872
Energy: 0.6511406444870932
Energy: 0.7079842816645706
Energy: 0.6173039056766105
Energy: 0.6528524722463569
Energy: 0.6306628139437199
Energy: 0.6528524722450704
Energy: 0.6400991979964233
Energy: 0.7088351513198514
Energy: 0.6269826145731198
Energy: 0.7088351513198514
Energy: 0.624569120883377
Energy: 0.6319507292793081
Energy: 0.644034115910906
Energy: 0.6319507292793081
Energy: 0.7871388281393417
Energy: 0.6564604932791986
Energy: 0.6509503376847527
Energy: 0.6564604932746958
Energy: 0.6314817621264402
Energy: 0.6311914061201983
Energy: 0.8160013065664389
Energy: 0.6311914061189117
Energy: 0.631548722987731
Energy: 0.65246789635364
Energy: 0.6504530521615325
Energy: 0.65246789635364
Energy: 0.6382751330419186
Energy: 0.6607503567004254
Energy: 0.6493988481542313
Energy: 0.6607503567004254
Energy: 0.6250688870505198
Energy: 0.6626741178827622
Energy: 0.69066577852263
Energy: 0.6626741178827622
Energy: 0.6722641729811659
Energy: 0.6485777536235918
Energy: 0.6282934888600157
Energy: 0.6485777536242351
Energy: 0.6287112916627033
Energy: 0.6312399683378989
Energy: 0.7424337134055412
Energy: 0.6312399683385422
Energy: 0.6824373086905519
Energy: 0.6448368400175869
Energy: 0.6179528625863456
Energy: 0.6448368400169437
Energy: 0.6287152068625322
Energy: 0.6312287334229025
Energy: 0.7577781935035273
Energy: 0.6312287334248324

minimum gb energy = 0.6163279824016269 eV
minimum distance =  2.53894513178704 Angstroms
sigma value = 29


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

Energy: 0.5941607613046946
Energy: 0.5811448110735923
Energy: 0.8573510592194644
Energy: 0.5811448110731442
Energy: 0.6589459948301069
Energy: 0.5719455443352739
Energy: 0.5732289249737844
Energy: 0.5719455443354979
Energy: 0.5657863825064888
Energy: 0.6092051181141008
Energy: 0.6583986145122421
Energy: 0.6092051181141008
Energy: 0.5937992761633851
Energy: 0.594332451223698
Energy: 0.6694629860741811
Energy: 0.5943324512232749
Energy: 0.5943152771346181
Energy: 0.5924014315877743
Energy: 0.6141469810778778
Energy: 0.5924014315879983
Energy: 0.581170142194881
Energy: 0.6092180744482355
Energy: 0.5811841295989819
Energy: 0.6092180744480363
Energy: 0.5811460185021988
Energy: 0.592540658062998
Energy: 0.5943072734773468
Energy: 0.5925406580632221
Energy: 0.6695238231482794
Energy: 0.5945304680221298
Energy: 0.5937776507168331
Energy: 0.594530468022354
Energy: 0.6582625134312521
Energy: 0.609192791647528
Energy: 0.6585923824246804
Energy: 0.6091927916477522

minimum gb energy = 0.5657863825064888 eV
minimum distance =  2.59977309756096 Angstroms
sigma value = 5


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

Energy: 0.5942302026666935
Energy: 0.5917478303799347
Energy: 0.7100528507723161
Energy: 0.5917478303799347
Energy: 0.6020996705860169
Energy: 0.5867377736713496
Energy: 0.5913658927991646
Energy: 0.5867377736707419
Energy: 0.5821390189694323
Energy: 0.5877747427555706
Energy: 0.695917114774088
Energy: 0.5877747427555706
Energy: 0.5950742644751303
Energy: 0.6143997297165736
Energy: 0.5848472858885816
Energy: 0.6143997297165736
Energy: 0.5861176544450661
Energy: 0.6173753238822859
Energy: 0.6405531562901753
Energy: 0.6173753238828935
Energy: 0.617792218485033
Energy: 0.5922856509485463
Energy: 0.5811124545065562
Energy: 0.5922856509485463
Energy: 0.5829890916614276
Energy: 0.6158010233193532
Energy: 0.5937743741524085
Energy: 0.6158010233199609
Energy: 0.5805411967065531
Energy: 0.592780344579301
Energy: 0.5833006736586028
Energy: 0.5927803445799087
Energy: 0.5865536052948579
Energy: 0.6161565388254975
Energy: 0.5906137870214168
Energy: 0.6161565388248897
Energy: 0.5830654847829347
Energy: 0.6161603660526864
Energy: 0.6030338781075478
Energy: 0.6161603660526864
Energy: 0.581473655602235
Energy: 0.6151709865906755
Energy: 0.5881687913439944
Energy: 0.6151709865924986
Energy: 0.5880145093253815
Energy: 0.6180919410438455
Energy: 0.5932027936247475
Energy: 0.6180919410438455
Energy: 0.6187066141159173
Energy: 0.5919170337721879
Energy: 0.5939096756833522
Energy: 0.5919170337721879
Energy: 0.5920660484471765
Energy: 0.5929352512803189
Energy: 0.6041071999169015
Energy: 0.5929352512797113
Energy: 0.7264529779770936
Energy: 0.581454951740194
Energy: 0.588014256784675
Energy: 0.5814549517395864
Energy: 0.583353133538154
Energy: 0.5881244871286025
Energy: 0.7026233061128399
Energy: 0.5881244871286025
Energy: 0.6749215208668168
Energy: 0.5885228502133114
Energy: 0.5913351098420083
Energy: 0.5885228502127037
Energy: 0.5861830236380913
Energy: 0.591860050371781
Energy: 0.7550703545988192
Energy: 0.591860050371781
Energy: 0.5928950454115823
Energy: 0.6173740923927675
Energy: 0.5835095310370181
Energy: 0.6173740923927675
Energy: 0.5831228700159172
Energy: 0.6450394569730049
Energy: 0.5846615320908707
Energy: 0.6450394569730049
Energy: 0.5931923401158655
Energy: 0.6129488209318609
Energy: 0.5870018423662773
Energy: 0.6129488209318609
Energy: 0.5941930085626937
Energy: 0.6159407208954512
Energy: 0.5815165744824625
Energy: 0.6159407208954512
Energy: 0.5911389646999429
Energy: 0.592781028319968
Energy: 0.5968361708860443
Energy: 0.5927810283205757
Energy: 0.5918936467715248
Energy: 0.6174642689810538
Energy: 0.5910530694564826
Energy: 0.6174642689810538
Energy: 0.5969854315221864
Energy: 0.592485671519657
Energy: 0.5890564009057957
Energy: 0.5924856715202647
Energy: 0.5918008108609285
Energy: 0.5929171745087554
Energy: 0.5861834176789575
Energy: 0.592917174509363
Energy: 0.5832762911991765
Energy: 0.5787262143193735
Energy: 0.6138149043491513
Energy: 0.5787262143187659
Energy: 0.7096248680076126
Energy: 0.6156315786540423
Energy: 0.5833445193136707
Energy: 0.6156315786516117
Energy: 0.5922555219158377
Energy: 0.5862370906128387
Energy: 0.6242853718431449
Energy: 0.5862370906128387
Energy: 0.762446103444611
Energy: 0.5919965847298799
Energy: 0.5861122415172205
Energy: 0.5919965847292722
Energy: 0.5815233374962856
Energy: 0.5845939555596489
Energy: 0.7411958867213305
Energy: 0.5845939555596489
Energy: 0.6738027958909953
Energy: 0.61623070364479
Energy: 0.5820669455749953
Energy: 0.6162307036460053
Energy: 0.5849809462255393
Energy: 0.6143721223078773
Energy: 0.598187219379918
Energy: 0.6143721223078773

minimum gb energy = 0.5787262143187659 eV
minimum distance =  2.53083984410778 Angstroms
sigma value = 1


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

Energy: 0.6331449680360414
Energy: 0.5706010225871517
Energy: 0.6935577121988254
Energy: 0.5706010225879921
Energy: 0.6047269885579799
Energy: 0.5537586849109908
Energy: 0.5669632319251765
Energy: 0.5537586849109908
Energy: 0.5582192356078812
Energy: 0.566349273140419
Energy: 0.640034589410102
Energy: 0.566349273140419
Energy: 0.5696317609466177
Energy: 0.5973099502453518
Energy: 0.5665762362135819
Energy: 0.5973099502453518
Energy: 0.5574718121403603
Energy: 0.5689491034642497
Energy: 0.6392156896346717
Energy: 0.5689491034642497
Energy: 0.5570182428272287
Energy: 0.5970911443830017
Energy: 0.5664610325858158
Energy: 0.5970911443830017
Energy: 0.5579429557818617
Energy: 0.615589967098496
Energy: 0.5643472825249534
Energy: 0.615589967098496
Energy: 0.5573034702288358
Energy: 0.5661120775682611
Energy: 0.587732019875785
Energy: 0.5661120775682611
Energy: 0.5659527799766367
Energy: 0.5711239318402189
Energy: 0.5892428137243247
Energy: 0.5711239318402189
Energy: 0.5659352965787593
Energy: 0.6643271335803386
Energy: 0.5858318131467587
Energy: 0.6643271335811788
Energy: 0.5576264184110198
Energy: 0.5662725674304877
Energy: 0.578698484482077
Energy: 0.5662725674304877
Energy: 0.556972552135904
Energy: 0.6086998494107229
Energy: 0.5641404665440818
Energy: 0.608699849411563
Energy: 0.5541335214172021
Energy: 0.5964470270846316
Energy: 0.5671145920901463
Energy: 0.5964470270846316
Energy: 0.5539486144597282
Energy: 0.57078062012749
Energy: 0.643890859294135
Energy: 0.57078062012749
Energy: 0.6968069395288417
Energy: 0.5966818322612638
Energy: 0.5671092780490194
Energy: 0.5966818322612638
Energy: 0.5582155192611732
Energy: 0.5662398929600455
Energy: 0.5793634356054191
Energy: 0.5662398929600455
Energy: 0.618182717701876
Energy: 0.5542056644875591
Energy: 0.5661069071140736
Energy: 0.5542056644875591
Energy: 0.6331449680368817
Energy: 0.5706010225871517
Energy: 0.6964169192844794
Energy: 0.5706010225879921
Energy: 0.6047269885579799
Energy: 0.5537586849109908
Energy: 0.5669632319251765
Energy: 0.5537586849109908
Energy: 0.5582192356078812
Energy: 0.5663492731412592
Energy: 0.640034589410102
Energy: 0.566349273140419
Energy: 0.5696317611330425
Energy: 0.5973099502453518
Energy: 0.5665762362144221
Energy: 0.5973099502453518
Energy: 0.5574718121403603
Energy: 0.5689491034642497
Energy: 0.6392156896346717
Energy: 0.5689491034642497
Energy: 0.5570182428272287
Energy: 0.5970911443830017
Energy: 0.566461032586656
Energy: 0.5970911443830017
Energy: 0.5579429557818617
Energy: 0.615589967098496
Energy: 0.5714412841517481
Energy: 0.615589967098496

minimum gb energy = 0.5537586849109908 eV
minimum distance =  2.54306610214101 Angstroms
sigma value = 17


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

Energy: 0.5628600014126147
Energy: 0.5630396249740212
Energy: 0.6950401152581407
Energy: 0.5630396249729825
Energy: 0.5920647493965272
Energy: 0.5608571470031258
Energy: 0.5561697978656395
Energy: 0.560857147001568
Energy: 0.5543630827548247
Energy: 0.5568987971233242
Energy: 0.5995974169926043
Energy: 0.5568987971222855
Energy: 0.5869338639327196
Energy: 0.5502129929570482
Energy: 0.5532094860018946
Energy: 0.5502129929554904
Energy: 0.550579635206346
Energy: 0.5916199579100617
Energy: 0.6431271288476387
Energy: 0.5916199579105811
Energy: 0.567077423068271
Energy: 0.6520213820577323
Energy: 0.5597071739598152
Energy: 0.6520213820577323
Energy: 0.5674320470318511
Energy: 0.5825971088092653
Energy: 0.5590925546002974
Energy: 0.5825971088092653
Energy: 0.5494259468077987
Energy: 0.6538062470424689
Energy: 0.5536676018508774
Energy: 0.6538062470419497
Energy: 0.564322818968797
Energy: 0.6577025026026078
Energy: 0.5682327780960389
Energy: 0.657702502603127
Energy: 0.5665941479271055
Energy: 0.5821849047403401
Energy: 0.5547262844692256
Energy: 0.5821849047403401
Energy: 0.5573678825473269
Energy: 0.6479752796680959
Energy: 0.5566311534898846
Energy: 0.6479752796686151
Energy: 0.5530464721155566
Energy: 0.5814440797084591
Energy: 0.547619575043345
Energy: 0.5814440797084591
Energy: 0.5506301288426607
Energy: 0.6531500751294942
Energy: 0.5558532654528451
Energy: 0.6531500751294942
Energy: 0.5616944650692699
Energy: 0.5903842249706951
Energy: 0.5630468187340948
Energy: 0.5903842249701758
Energy: 0.5562339746878642
Energy: 0.6480459250523941
Energy: 0.568338682436994
Energy: 0.6480459250523941
Energy: 0.5575470842222455
Energy: 0.5575336127569456
Energy: 0.6405515062769956
Energy: 0.5575336127569456
Energy: 0.575731026700041
Energy: 0.6474139399520417
Energy: 0.5560236315546135
Energy: 0.6474139399515223
Energy: 0.5502547231362866
Energy: 0.5632366876712739
Energy: 0.761257165167091
Energy: 0.5632366876717931
Energy: 0.6054196593529108
Energy: 0.5836867268802631
Energy: 0.556349131018922
Energy: 0.5836867268797439
Energy: 0.5568203267416492
Energy: 0.5566730574943947
Energy: 0.710713512427578
Energy: 0.5566730574943947
Energy: 0.5693066793244462
Energy: 0.5564057457875162
Energy: 0.565649826058074
Energy: 0.5564057457875162
Energy: 0.566253483115206
Energy: 0.5642927723701375
Energy: 0.5700799382912194
Energy: 0.5642927723685796
Energy: 0.5760099805926541
Energy: 0.5559613968185143
Energy: 0.55808368005242
Energy: 0.5559613968185143
Energy: 0.5567554287184651
Energy: 0.58342674094349
Energy: 0.6436835684074097
Energy: 0.5834267409440093
Energy: 0.6844279465377421
Energy: 0.5633584463484549
Energy: 0.5515202508218393
Energy: 0.5633584463484549
Energy: 0.5574718046305435
Energy: 0.5911477731352582
Energy: 0.5546796620572084
Energy: 0.5911477731352582
Energy: 0.6201929150289782
Energy: 0.5793708497717922
Energy: 0.5587312139979429
Energy: 0.5793708497723115
Energy: 0.5712615800217498
Energy: 0.6485541546236968
Energy: 0.5553261673219921
Energy: 0.6485541546247354
Energy: 0.5630473412455798
Energy: 0.5897297309803623
Energy: 0.5638362793753968
Energy: 0.5897297309819203
Energy: 0.5574414116585792
Energy: 0.6533674014232324
Energy: 0.565533332423096
Energy: 0.6533674014227131
Energy: 0.5548737066643925
Energy: 0.5891527360811488
Energy: 0.5572956012553208
Energy: 0.5891527360816681
Energy: 0.5597721311485229
Energy: 0.6466120000630657
Energy: 0.5552962685533691
Energy: 0.6466120000635851
Energy: 0.5589380718474449
Energy: 0.5823905358074745
Energy: 0.6277073239635563
Energy: 0.5823905358074745
Energy: 0.5769463008807595
Energy: 0.6568379526888826
Energy: 0.5620955903561559
Energy: 0.6568379526883632
Energy: 0.5531358229184179
Energy: 0.5636234436561853
Energy: 0.57868230931395
Energy: 0.5636234436567048
Energy: 0.5603964942451081
Energy: 0.5835106190405813
Energy: 0.5681792562557972
Energy: 0.5835106190411006
Energy: 0.5580378709528844
Energy: 0.6517384950880698
Energy: 0.5695444350977422
Energy: 0.6517384950885893
Energy: 0.5771948604040701
Energy: 0.5924505378255838
Energy: 0.5577170433388919
Energy: 0.5924505378250644

minimum gb energy = 0.547619575043345 eV
minimum distance =  2.53460857098242 Angstroms
sigma value = 89


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

Energy: 0.49262329448988323
Energy: 0.4926716930955423
Energy: 0.7982151129227669
Energy: 0.4926716930955423
Energy: 0.4929751812807371
Energy: 0.5088599820158757
Energy: 0.50334283770692
Energy: 0.5088599820158757
Energy: 0.5014158938847656
Energy: 0.5728625198744718
Energy: 0.493662791316714
Energy: 0.5728625198744718
Energy: 0.6319022049200681
Energy: 0.5088614319436525
Energy: 0.50337996419762
Energy: 0.5088614319450113
Energy: 0.5013941302674879
Energy: 0.4942511339847892
Energy: 0.7405140750140667
Energy: 0.4942511339847892
Energy: 0.5015109650837429
Energy: 0.4928584478612185
Energy: 0.49497922569997216
Energy: 0.4928584478612185
Energy: 0.5015797294503525
Energy: 0.5732770643668529
Energy: 0.4928401280994924
Energy: 0.5732770643668529
Energy: 0.5058147270441756
Energy: 0.6666778202331058
Energy: 0.5032104906996137
Energy: 0.6666778202331058
Energy: 0.501439053431165
Energy: 0.5322748609062986
Energy: 0.6300726106727539
Energy: 0.5322748609062986
Energy: 0.508871824320019
Energy: 0.6206219396794841
Energy: 0.5013938081280314
Energy: 0.6206219396794841
Energy: 0.4925901394496153
Energy: 0.5089650496729725
Energy: 0.5013547640307897
Energy: 0.5089650496729725
Energy: 0.49264529840180754
Energy: 0.5712831020737842
Energy: 0.5032740905956054
Energy: 0.5712831020737842
Energy: 0.5013978529171724
Energy: 0.5304241693579834
Energy: 0.5043979548949209
Energy: 0.530424169359342
Energy: 0.5014270771048102
Energy: 0.5300901317993351
Energy: 0.5014373880302508
Energy: 0.5300901318006936
Energy: 0.4954938099789993
Energy: 0.5304528449211394
Energy: 0.5013948573568824
Energy: 0.5304528449211394

minimum gb energy = 0.4925901394496153 eV
minimum distance =  2.55489971391723 Angstroms
sigma value = 13


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

Energy: 0.5018005663806254
Energy: 0.49233417379161604
Energy: 0.6425270497793678
Energy: 0.4923341737904771
Energy: 0.5267797332398609
Energy: 0.5033212108409397
Energy: 0.4913360001263305
Energy: 0.5033212108386618
Energy: 0.49274410895102894
Energy: 0.4926008227289479
Energy: 0.5659927696412194
Energy: 0.4926008227300869
Energy: 0.4907282046230145
Energy: 0.5032932459650477
Energy: 0.48836134458229313
Energy: 0.5032932459639086
Energy: 0.4964129735666872
Energy: 0.5186157242866138
Energy: 0.5215668017784739
Energy: 0.5186157242883225
Energy: 0.4859517210444191
Energy: 0.5057201732532423
Energy: 0.4916549994043072
Energy: 0.5057201732515337
Energy: 0.4962068276556006
Energy: 0.6212886615257288
Energy: 0.6328615157527222
Energy: 0.6212886615262984
Energy: 0.4857168335329385
Energy: 0.5036178234598975
Energy: 0.4917417814177666
Energy: 0.5036178234581891
Energy: 0.49627640569421555
Energy: 0.5211240717071627
Energy: 0.5450475281324044
Energy: 0.5211240717100103
Energy: 0.5756263331218009
Energy: 0.5275554286539011
Energy: 0.48831659363481067
Energy: 0.5275554286544705
Energy: 0.4964507048676758
Energy: 0.5282426883034702
Energy: 0.4934761118936973
Energy: 0.5282426882994837
Energy: 0.595878354337014
Energy: 0.5277334605966787
Energy: 0.49272157362143976
Energy: 0.5277334605955397
Energy: 0.5081786351579145
Energy: 0.49676235952501935
Energy: 0.48599771660975083
Energy: 0.4967623595295754
Energy: 0.6086086102093189
Energy: 0.5277073324176136
Energy: 0.49288200539561045
Energy: 0.527707332417044
Energy: 0.49634456386111014
Energy: 0.4919538860200072
Energy: 0.4860271055783666
Energy: 0.4919538860194377
Energy: 0.4843808500055947
Energy: 0.5277334222400103
Energy: 0.48679075346166545
Energy: 0.5277334222383017
Energy: 0.4923940789047105
Energy: 0.5143953785819874
Energy: 0.4870971129997656
Energy: 0.5143953785819874
Energy: 0.49112083354298897
Energy: 0.5198368527501986
Energy: 0.4900778024663426
Energy: 0.5198368527496291
Energy: 0.49228401358118246
Energy: 0.5222651280080962
Energy: 0.4900486814957018
Energy: 0.5222651280069571
Energy: 0.49228760362973756
Energy: 0.5224581484604538
Energy: 0.49016462226833907
Energy: 0.5224581484581758
Energy: 0.49102039966668426
Energy: 0.5198178329637663
Energy: 0.490035776668763
Energy: 0.5198178329637663
Energy: 0.4921597331374094
Energy: 0.5144128509959903
Energy: 0.4871146598609224
Energy: 0.5144128509948513
Energy: 0.48435848301054096
Energy: 0.5277291462173297
Energy: 0.4870515186730119
Energy: 0.5277291462150517
Energy: 0.4963503256855359
Energy: 0.4918149846453611
Energy: 0.4876503816130155
Energy: 0.4918149846470696
Energy: 0.6084625442342392
Energy: 0.5278233867528584
Energy: 0.49289725512910487
Energy: 0.5278233867517194
Energy: 0.5085473120783011
Energy: 0.4965243413602288
Energy: 0.48773054149519834
Energy: 0.49652434136136775
Energy: 0.5958210216776922
Energy: 0.527842101878169
Energy: 0.4926784545060813
Energy: 0.527842101879308
Energy: 0.4962695068825239
Energy: 0.528309061093732
Energy: 0.4853998620295161
Energy: 0.5283090610960101
Energy: 0.5758825600129351
Energy: 0.5274632011888953
Energy: 0.4883099435548233
Energy: 0.5274632011866173
Energy: 0.4965256677713584
Energy: 0.5210844476825703
Energy: 0.5447623279837092
Energy: 0.5210844476820008
Energy: 0.4855973387282218
Energy: 0.503508381541316
Energy: 0.4916187613286686
Energy: 0.5035083815407465
Energy: 0.49912107527917493
Energy: 0.6219254231862459
Energy: 0.5875089888749726
Energy: 0.6219254231862459
Energy: 0.48620860105482655
Energy: 0.5057554372878468
Energy: 0.4919200394093462
Energy: 0.5057554372884162
Energy: 0.49634351701122803
Energy: 0.518674791727559
Energy: 0.634530837191153
Energy: 0.5186747917292676
Energy: 0.5053461499420072
Energy: 0.5032539793164589
Energy: 0.4883708120319041
Energy: 0.5032539793164589

minimum gb energy = 0.48435848301054096 eV
minimum distance =  2.56582063047318 Angstroms
sigma value = 37


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

Energy: 0.5326107935996378
Energy: 0.5426880320133518
Energy: 0.4550745155214366
Energy: 0.5426880320143315
Energy: 0.5247764735452255
Energy: 0.5862999368856017
Energy: 0.45144699615457096
Energy: 0.5862999368856017
Energy: 0.46063926593620236
Energy: 0.6004971148158799
Energy: 0.6024572641100191
Energy: 0.6004971148149
Energy: 0.48938636002015296
Energy: 0.46248130994639003
Energy: 0.4532842095556808
Energy: 0.46248130994736986
Energy: 0.45271885098255954
Energy: 0.5865215174842777
Energy: 0.48343770247985846
Energy: 0.5865215174842777
Energy: 0.4553519951200954
Energy: 0.58822749093022
Energy: 0.5102509013352524
Energy: 0.58822749093022
Energy: 0.4594454969816415
Energy: 0.7157596035968797
Energy: 0.5837802717831556
Energy: 0.7157596035959
Energy: 0.44116269817344644
Energy: 0.4619117216149779
Energy: 0.46351525014762973
Energy: 0.4619117216149779
Energy: 0.4518536189807763
Energy: 0.5867743369336725
Energy: 0.5887102532926141
Energy: 0.5867743369346523
Energy: 0.602726629416264
Energy: 0.5871006581028096
Energy: 0.5102244616311609
Energy: 0.5871006581028096
Energy: 0.45238172851892
Energy: 0.6868059695371452
Energy: 0.49532106877887666
Energy: 0.6868059695371452
Energy: 0.6073452035521576
Energy: 0.461678242225791
Energy: 0.45338051124107387
Energy: 0.46167824222481124
Energy: 0.5083439614390578
Energy: 0.586717485355666
Energy: 0.44946519589662254
Energy: 0.586717485355666
Energy: 0.5982906645837283
Energy: 0.7133926153341867
Energy: 0.4456877434361487
Energy: 0.7133926153341867
Energy: 0.53268711774932
Energy: 0.48436115609734615
Energy: 0.445902275360551
Energy: 0.48436115609830377
Energy: 0.5271842723696099
Energy: 0.5873358047975261
Energy: 0.4513496144255992
Energy: 0.5873358047975261
Energy: 0.5083574995582788
Energy: 0.5878264066047274
Energy: 0.44287671949091517
Energy: 0.5878264066047274
Energy: 0.49567569400405526
Energy: 0.687692149259324
Energy: 0.4524364015936291
Energy: 0.687692149259324
Energy: 0.4524853229438429
Energy: 0.4616760364165104
Energy: 0.45174273839517215
Energy: 0.4616760364165104
Energy: 0.4503949703785376
Energy: 0.5874076012521201
Energy: 0.5037050342500604
Energy: 0.5874076012521201

minimum gb energy = 0.44116269817344644 eV
minimum distance =  2.54919315082833 Angstroms
sigma value = 25


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

Energy: 0.4847626153469799
Energy: 0.6284722495914655
Energy: 0.5714704602281699
Energy: 0.6284722495907002
Energy: 0.5451324686615706
Energy: 0.6178419290031189
Energy: 0.4126081510050858
Energy: 0.6178419290031189
Energy: 0.4597008081147868
Energy: 0.4688380592783075
Energy: 0.5861787162633868
Energy: 0.4688380592783075
Energy: 0.45446971262354247
Energy: 0.5804995789717498
Energy: 0.41311241490807576
Energy: 0.5804995789725149
Energy: 0.4178605467529041
Energy: 0.6164025919169474
Energy: 0.4289119921191573
Energy: 0.6164025919169474
Energy: 0.4366104422133599
Energy: 0.415699090917188
Energy: 0.4194346426092677
Energy: 0.4156990909148927
Energy: 0.4123537414352441
Energy: 0.40956350934322844
Energy: 0.45498164769849486
Energy: 0.40956350934399355
Energy: 0.407404262384407
Energy: 0.532371555510559
Energy: 0.46072371483971836
Energy: 0.532371555509794
Energy: 0.41149697553735776
Energy: 0.617850862684602
Energy: 0.5840627632888973
Energy: 0.617850862684602
Energy: 0.3989051586416714
Energy: 0.4084920854559907
Energy: 0.4321900918521993
Energy: 0.4084920854552256
Energy: 0.4122403349640688
Energy: 0.40922475155083
Energy: 0.5507922920883582
Energy: 0.4092247515500648
Energy: 0.5119091662663899
Energy: 0.6518357027614672
Energy: 0.4606644667803508
Energy: 0.6518357027614672
Energy: 0.41396205137584435
Energy: 0.5804578539373997
Energy: 0.5139936808291822
Energy: 0.5804578539366346
Energy: 0.5255325929234578
Energy: 0.6294234138961645
Energy: 0.4180684378063399
Energy: 0.6294234138969298
Energy: 0.41723339302862605
Energy: 0.4085978601252374
Energy: 0.4366645012211504
Energy: 0.4085978601252374
Energy: 0.5448059734207248
Energy: 0.6332202455398664
Energy: 0.411332377934803
Energy: 0.6332202455391013
Energy: 0.46358890149638904
Energy: 0.5325847621510973
Energy: 0.40709014050073783
Energy: 0.5325847621503321
Energy: 0.5261125327084017
Energy: 0.6164427737252419
Energy: 0.41245016091884357
Energy: 0.6164427737252419
Energy: 0.4884138057275646
Energy: 0.5322879175606847
Energy: 0.3990936065455419
Energy: 0.5322879175606847
Energy: 0.6085282779032993
Energy: 0.6344982430786007
Energy: 0.4111812906783997
Energy: 0.6344982430778356
Energy: 0.46362434259821356
Energy: 0.6502185460150054
Energy: 0.40004169349166324
Energy: 0.6502185460157706
Energy: 0.4509366961757501
Energy: 0.528622819663657
Energy: 0.4166064223578585
Energy: 0.528622819663657
Energy: 0.4173476591677012
Energy: 0.6282546086918389
Energy: 0.5254944522146382
Energy: 0.6282546086910739
Energy: 0.43856732735904586
Energy: 0.6342583051736581
Energy: 0.41736089187018227
Energy: 0.6342583051736581
Energy: 0.41144063186120927
Energy: 0.6503376076712074
Energy: 0.5382513012764555
Energy: 0.6503376076704421
Energy: 0.4028933942580195
Energy: 0.5327773247105114
Energy: 0.45994330247130844
Energy: 0.5327773247112764

minimum gb energy = 0.3989051586416714 eV
minimum distance =  2.48552205803518 Angstroms
sigma value = 41


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

Energy: 0.5324298938825222
Energy: 0.5508738412252686
Energy: 0.4952301626307056
Energy: 0.5508738412252686
Energy: 0.5048031079292594
Energy: 0.37969409500808354
Energy: 0.37226027242387977
Energy: 0.37969409500808354
Energy: 0.38215604354810706
Energy: 0.3737064671462211
Energy: 0.4707150702191416
Energy: 0.3737064671462211
Energy: 0.4448501745368067
Energy: 0.3773683891146584
Energy: 0.37221624059320957
Energy: 0.3773683891152857
Energy: 0.36934556527784096
Energy: 0.5580911995310993
Energy: 0.3860706281469363
Energy: 0.558091199530472
Energy: 0.3832523178100902
Energy: 0.3766409847914213
Energy: 0.37229304172852623
Energy: 0.37664098479079405
Energy: 0.37158336066064246
Energy: 0.3759351605891705
Energy: 0.3833586904774455
Energy: 0.37593516058979776
Energy: 0.3657011771802578
Energy: 0.4680671490949671
Energy: 0.3699343458526108
Energy: 0.4680671490955944
Energy: 0.3738686714077193
Energy: 0.5760971661118628
Energy: 0.44345098959134743
Energy: 0.5760971661118628
Energy: 0.3695997431700657
Energy: 0.3718155814975023
Energy: 0.3826857195466676
Energy: 0.3718155814975023
Energy: 0.37162156880535707
Energy: 0.3787298551454964
Energy: 0.5051040880021315
Energy: 0.3787298551448691
Energy: 0.36482339187763074
Energy: 0.5494712036820679
Energy: 0.5329724104585187
Energy: 0.5494712036820679
Energy: 0.37391485644072003
Energy: 0.577716510342426
Energy: 0.5054649897835577
Energy: 0.5777165103430533
Energy: 0.4583621865336588
Energy: 0.49846734586885844
Energy: 0.38275915834633023
Energy: 0.49846734586948566
Energy: 0.3715964934168518
Energy: 0.37942225987568073
Energy: 0.4897615609751159
Energy: 0.379422259876308
Energy: 0.4667023559551071
Energy: 0.5782512609709469
Energy: 0.3698539308613085
Energy: 0.5782512609709469
Energy: 0.3739493023719922
Energy: 0.5773084733277309
Energy: 0.4597832082542407
Energy: 0.5773084733277309
Energy: 0.4614585583504005
Energy: 0.4960360512988016
Energy: 0.37219021990430146
Energy: 0.4960360513351825
Energy: 0.3716690497477459
Energy: 0.4680023039861302
Energy: 0.3652717511740826
Energy: 0.46800230398487563
Energy: 0.44982144079310593
Energy: 0.5782329011042586
Energy: 0.3740722661652821
Energy: 0.5782329011036313
Energy: 0.38442864828601875
Energy: 0.5774722420194467
Energy: 0.3667179522967793
Energy: 0.577472242020074
Energy: 0.588580222979789
Energy: 0.6069002641146067
Energy: 0.37219146189267444
Energy: 0.6069002641139793
Energy: 0.5341478418015059
Energy: 0.5495609599687414
Energy: 0.3651464883803092
Energy: 0.5495609599687414
Energy: 0.4958970579099847
Energy: 0.5780108295894181
Energy: 0.37401813640934467
Energy: 0.5780108295894181
Energy: 0.3845366352580991
Energy: 0.5763745443449694
Energy: 0.36717866864800736
Energy: 0.5763745443455967
Energy: 0.48835782980228215
Energy: 0.6056364286646353
Energy: 0.37218970531596357
Energy: 0.6056364286640081
Energy: 0.3716991294791716
Energy: 0.5756418218466729
Energy: 0.4675418052239496
Energy: 0.5756418218466729
Energy: 0.3739197677378042
Energy: 0.5766638813394923
Energy: 0.373931122054461
Energy: 0.5766638813394923
Energy: 0.37395201682947765
Energy: 0.5996452507051404
Energy: 0.46509831605114954
Energy: 0.5996452507057676
Energy: 0.3696715981242641
Energy: 0.5948317222477236
Energy: 0.3744374124853154
Energy: 0.5948317222483509
Energy: 0.37185303118026736
Energy: 0.5757993442415947
Energy: 0.4534261675442183
Energy: 0.5757993442409675
Energy: 0.36968191279682516
Energy: 0.5765431979228408
Energy: 0.3870665806718289
Energy: 0.5765431979228408

minimum gb energy = 0.36482339187763074 eV
minimum distance =  2.4786445448049 Angstroms
sigma value = 15


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

Energy: 0.4852473362057429
Energy: 0.5429618897821404
Energy: 0.5072992510447857
Energy: 0.5429618897821404
Energy: 0.5415131023026614
Energy: 0.5208683577759692
Energy: 0.3499902721008785
Energy: 0.5208683577759692
Energy: 0.3605502088213575
Energy: 0.5003488006443633
Energy: 0.6033352438844038
Energy: 0.5003488006443633
Energy: 0.45834050447098823
Energy: 0.5333949138665222
Energy: 0.34980886187157845
Energy: 0.5333949138665222
Energy: 0.34798379356639475
Energy: 0.5492629468844675
Energy: 0.3554124761034576
Energy: 0.549262946884999
Energy: 0.4074583142125349
Energy: 0.5192769889012834
Energy: 0.34984365052734445
Energy: 0.5192769889012834
Energy: 0.34947354196151464
Energy: 0.49782426311741224
Energy: 0.356341666679506
Energy: 0.4978242631168809
Energy: 0.3564863016175037
Energy: 0.4996452983291645
Energy: 0.34987434397331796
Energy: 0.4996452983291645
Energy: 0.351024033122196
Energy: 0.5473483282175671
Energy: 0.4327412086572365
Energy: 0.5473483282165043
Energy: 0.33955837570143654
Energy: 0.5193277325073257
Energy: 0.34843096269387364
Energy: 0.5193277325073257
Energy: 0.34961976055999466
Energy: 0.519633964500568
Energy: 0.45967464892321236
Energy: 0.5196339645000367
Energy: 0.3406373672850573
Energy: 0.3506765237224034
Energy: 0.36085245858272613
Energy: 0.3506765237224034
Energy: 0.35124775035564204
Energy: 0.5470644999071036
Energy: 0.5393934797051504
Energy: 0.547064499907635
Energy: 0.3406857351846611
Energy: 0.5542087379145538
Energy: 0.48567287435534384
Energy: 0.5542087379145538
Energy: 0.34949088357473573
Energy: 0.5221042079077975
Energy: 0.5414875224336678
Energy: 0.522104207908329
Energy: 0.416247491147768
Energy: 0.5005313238709543
Energy: 0.360913083935401
Energy: 0.5005313238704229
Energy: 0.35102701097136885
Energy: 0.5469714733990105
Energy: 0.4605516505709056
Energy: 0.5469714733974164
Energy: 0.43467355623761583
Energy: 0.5600436026834742
Energy: 0.3484091589162012
Energy: 0.5600436026840057
Energy: 0.3496229870383242
Energy: 0.5223003217898827
Energy: 0.4083993475435573
Energy: 0.5223003217898827
Energy: 0.42087617343335504
Energy: 0.5219912712605791
Energy: 0.3498698934742795
Energy: 0.5219912712611104
Energy: 0.3509494045689241
Energy: 0.5336378034368123
Energy: 0.35752967173487477
Energy: 0.5336378034373437
Energy: 0.4335936318546169
Energy: 0.5589252216740875
Energy: 0.352749126899432
Energy: 0.5589252216740875
Energy: 0.3494465691674447
Energy: 0.5218727261213909
Energy: 0.33853056763767103
Energy: 0.5218727261213909
Energy: 0.5165138902919969
Energy: 0.5221244324908239
Energy: 0.34985029527796047
Energy: 0.5221244324913552
Energy: 0.36190341284679695
Energy: 0.5332845453317485
Energy: 0.34079745113730003
Energy: 0.533284545331217
Energy: 0.5385761459869434
Energy: 0.5585544452733824
Energy: 0.3527644850746046
Energy: 0.5585544452728509
Energy: 0.48636112882384347
Energy: 0.5403052673885352
Energy: 0.33874313244362136
Energy: 0.5403052673885352
Energy: 0.6160696745790702
Energy: 0.5225793436386623
Energy: 0.34984272965167673
Energy: 0.5225793436391937
Energy: 0.36186986774863145
Energy: 0.5591017780127924
Energy: 0.34427962474722734
Energy: 0.5591017780122609
Energy: 0.4461047466271505
Energy: 0.5481062620404098
Energy: 0.3527763610376857
Energy: 0.5481062620404098
Energy: 0.3494822850428419
Energy: 0.5469199204601636
Energy: 0.429011793668866
Energy: 0.5469199204612263
Energy: 0.4421134044814753
Energy: 0.5219234003779218
Energy: 0.3500096145002499
Energy: 0.5219234003784532
Energy: 0.35097656754600964
Energy: 0.5596882332116722
Energy: 0.42860057814914065
Energy: 0.5596882332116722
Energy: 0.3416256853964092
Energy: 0.533202332921812
Energy: 0.35285435386902675
Energy: 0.5332023329212806
Energy: 0.3432855574509641
Energy: 0.5472302388414731
Energy: 0.42859338443231515
Energy: 0.5472302388414731
Energy: 0.349690273458073
Energy: 0.5217935227852978
Energy: 0.351288443246919
Energy: 0.5217935227858292
Energy: 0.3509209697541681
Energy: 0.5596251674411465
Energy: 0.5171384824788652
Energy: 0.5596251674411465

minimum gb energy = 0.33853056763767103 eV
minimum distance =  2.56801540217734 Angstroms
sigma value = 85


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

Energy: 0.49579248987976327
Energy: 0.5158774664629734
Energy: 0.31003117911738676
Energy: 0.5158774664615908
Energy: 0.5957289667166555
Energy: 0.48227508975985034
Energy: 0.31943407240420146
Energy: 0.48227508975938954
Energy: 0.4768639439432687
Energy: 0.47321498773822257
Energy: 0.3799760107858039
Energy: 0.47321498773914433
Energy: 0.5259144723783362
Energy: 0.4791618865958612
Energy: 0.3193290940585865
Energy: 0.47916188659632203
Energy: 0.36383557770821867
Energy: 0.45812234261487994
Energy: 0.324788137372482
Energy: 0.45812234261487994
Energy: 0.4603566766001347
Energy: 0.4735090614429619
Energy: 0.3191503445901604
Energy: 0.4735090614438836
Energy: 0.3475396221381766
Energy: 0.46473098706052646
Energy: 0.35932098291075615
Energy: 0.46473098706052646
Energy: 0.41628556854074167
Energy: 0.4790706408482265
Energy: 0.32334536994917057
Energy: 0.4790706408477656
Energy: 0.32258738296198114
Energy: 0.44879541400418776
Energy: 0.4028938919032924
Energy: 0.4487954140037268
Energy: 0.35903602505895227
Energy: 0.46089898715870914
Energy: 0.34783519147714254
Energy: 0.46089898715917
Energy: 0.32040702738764754
Energy: 0.47995836405309134
Energy: 0.4604725443169763
Energy: 0.47995836405355224
Energy: 0.3283137791802298
Energy: 0.4937771199525211
Energy: 0.3642346242449206
Energy: 0.4937771199525211
Energy: 0.31898360019920113
Energy: 0.4483970201303022
Energy: 0.5643680019753515
Energy: 0.4483970201303022
Energy: 0.3079796649643331
Energy: 0.47316570550518594
Energy: 0.4772168386382355
Energy: 0.47316570550334247
Energy: 0.32027398796089607
Energy: 0.47916863039328705
Energy: 0.5963375088484192
Energy: 0.4791686303937479
Energy: 0.30554056332356583
Energy: 0.5044257977458859
Energy: 0.45681463635087316
Energy: 0.5044257977463468
Energy: 0.3188875230640517
Energy: 0.44864491437028525
Energy: 0.5657958177987926
Energy: 0.44864491437028525
Energy: 0.3691702691575051
Energy: 0.4731855278106472
Energy: 0.477209156947315
Energy: 0.47318552780972545
Energy: 0.3203696674708984
Energy: 0.4789821623005637
Energy: 0.5266646946969245
Energy: 0.4789821623010246
Energy: 0.37897095408596704
Energy: 0.5138515233886497
Energy: 0.36419831972715955
Energy: 0.5138515233886497
Energy: 0.3195391230019746
Energy: 0.423011872596026
Energy: 0.4608264625830698
Energy: 0.4230118725964869
Energy: 0.39954196342117604
Energy: 0.47958342545086957
Energy: 0.347921995860142
Energy: 0.47958342545040866
Energy: 0.3232963112875526
Energy: 0.4788486696691666
Energy: 0.416701529256158
Energy: 0.4788486696682449
Energy: 0.40230554052615053
Energy: 0.5117940105830049
Energy: 0.3231611326506993
Energy: 0.511794010582544
Energy: 0.3489518598970232
Energy: 0.42677102871943123
Energy: 0.35955688367871025
Energy: 0.42677102871897044
Energy: 0.48894398767761726
Energy: 0.4791005621723487
Energy: 0.3195367088647753
Energy: 0.4791005621709662
Energy: 0.3652474988341337
Energy: 0.48967617612708075
Energy: 0.32810603190401766
Energy: 0.48967617612661984
Energy: 0.49540096370158987
Energy: 0.5120927651575251
Energy: 0.319481087695969
Energy: 0.5120927651579857
Energy: 0.4781368772675799
Energy: 0.4766165105299742
Energy: 0.30704808981522647
Energy: 0.476616510530435
Energy: 0.6443051813442037
Energy: 0.47907877792087267
Energy: 0.32001333828072914
Energy: 0.4790787779204117
Energy: 0.4970535491294283
Energy: 0.5117294951908099
Energy: 0.30656290637841127
Energy: 0.5117294951912709
Energy: 0.587534007196922
Energy: 0.5150205375422986
Energy: 0.3194429329200107
Energy: 0.5150205375422986
Energy: 0.478212121912002
Energy: 0.4760955983115745
Energy: 0.3062876750495954
Energy: 0.47609559831111364
Energy: 0.5779375525637822
Energy: 0.478926391346944
Energy: 0.3199446173481228
Energy: 0.4789263913460223
Energy: 0.36536559620509157
Energy: 0.5098440328215296
Energy: 0.379029793164482
Energy: 0.5098440328215296
Energy: 0.4373372863048208
Energy: 0.5050700439364935
Energy: 0.32065499467534486
Energy: 0.5050700439364935
Energy: 0.3490108275050478
Energy: 0.47941539932829896
Energy: 0.39949589222294973
Energy: 0.47941539932783817
Energy: 0.4312066349098946
Energy: 0.4787468210657679
Energy: 0.3226368795219213
Energy: 0.47874682106530697
Energy: 0.32332502616657194
Energy: 0.5100004608417913
Energy: 0.4021826582357675
Energy: 0.510000460842713
Energy: 0.3308253442897224
Energy: 0.49818901024240625
Energy: 0.3426992701765275
Energy: 0.49818901024286716
Energy: 0.31905382415454453
Energy: 0.47929158706083075
Energy: 0.502307599334915
Energy: 0.47929158706083075
Energy: 0.32724118618542875
Energy: 0.4899721751742483
Energy: 0.3667230448267806
Energy: 0.48997217517380837
Energy: 0.3202926529446124
Energy: 0.5098090931756618
Energy: 0.4954642336942066
Energy: 0.5098090931756618

minimum gb energy = 0.30554056332356583 eV
minimum distance =  2.55603159418944 Angstroms
sigma value = 113


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

Energy: 0.011733831251353403
Energy: 0.013135557982619893
Energy: 0.39294678240340697
Energy: 0.013135557982954498
Energy: 0.3926147694798736
Energy: 0.17518774667644188
Energy: 0.1755768766343224
Energy: 0.17518774667644188
Energy: 0.011733831250999116
Energy: 0.013135557982619893
Energy: 0.39294677708827386
Energy: 0.013135557982619893
Energy: 0.39261476948020824
Energy: 0.17518774667644188
Energy: 0.17557416996540423
Energy: 0.17518774667644188
Energy: 0.011733831251353403
Energy: 0.013135557982619893
Energy: 0.39294678315201836
Energy: 0.013135557982954498
Energy: 0.3926147694798736
Energy: 0.17518774667644188
Energy: 0.17556942639397774
Energy: 0.17518774667644188

minimum gb energy = 0.011733831250999116 eV
minimum distance =  2.83530856287948 Angstroms
sigma value = 1