Model name: model_name=EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.638568460941315
cohesive_energy=3.4069304484773077
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014713975230570378
Energy: 0.37606622575908194
Energy: 0.3760662257576551
Energy: 0.014713975230570378
Energy: 0.3760662257576551
Energy: 0.37606622575908194
Energy: 0.014713975230570378
Energy: 0.37606622575908194
Energy: 0.3760662257576551
Energy: 0.014713975231997222
Energy: 0.37325664399624975
Energy: 0.01909222157281704
Energy: 0.3733336055118501
Energy: 0.37325664399624975
Energy: 0.019092221574243885
Energy: 0.37333360551042316
Energy: 0.37325664399624975
Energy: 0.01909222157281704
Energy: 0.3733336055118501
Energy: 0.37325664399624975
Energy: 0.8997897801607572
Energy: 0.5593494392705062
Energy: 0.35460054142272623
Energy: 0.7481834289699835
Energy: 0.5593494394530775
Energy: 0.6235817671271258
Energy: 0.7483375524723632
Energy: 0.5257342618028885
Energy: 0.5593494392719329
Energy: 0.7482215226247196
Energy: 0.37325664399624975
Energy: 0.3733336055089963
Energy: 0.01909222157281704
Energy: 0.37325664399624975
Energy: 0.3733336055089963
Energy: 0.019092221574243885
Energy: 0.37325664399624975
Energy: 0.3733336055089963
Energy: 0.019092221574243885
Energy: 0.37325664399624975
Energy: 0.014713975230570378
Energy: 0.37606622575908194
Energy: 0.37606622575908194
Energy: 0.014713975230570378
Energy: 0.37606622575908194
Energy: 0.37606622575908194
Energy: 0.014713975230570378
Energy: 0.37606622575908194
Energy: 0.37606622575908194
Energy: 0.014713975230570378
Energy: 0.37325664399624975
Energy: 0.019092221574243885
Energy: 0.3733336055089963
Energy: 0.37325664399624975
Energy: 0.01909222157281704
Energy: 0.3733336055089963
Energy: 0.37325664399624975
Energy: 0.01909222157281704
Energy: 0.3733336055089963
Energy: 0.37325664399624975
Energy: 0.7482215791483434
Energy: 0.20255241350800113
Energy: 0.01534523312842576
Energy: 0.7483400881624273
Energy: 0.20255241350657427
Energy: 0.01534523313413314
Energy: 0.7482036414229605
Energy: 0.20255241350800113
Energy: 0.35460054142415304
Energy: 0.7483232789526346

minimum gb energy = 0.014713975230570378 eV
minimum distance =  2.29526201835282 Angstroms
sigma value = 3


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

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Energy: 0.939847941986019
Energy: 0.9396128844140816
Energy: 0.7962595843011449
Energy: 0.9398479419752162
Energy: 0.9396128844266637
Energy: 0.8585815067364905
Energy: 0.9398479419713717
Energy: 0.9396128844374666
Energy: 0.7962595843004459
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Energy: 0.8103405232663144
Energy: 0.9035651775959808
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Energy: 0.9035651775931849
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Energy: 0.8103405232802946
Energy: 0.9035651775882918
Energy: 0.8114426964858908
Energy: 0.8561887780575566
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Energy: 0.8624827616630089
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Energy: 0.856188778067692
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Energy: 0.9637566283399364
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Energy: 0.9395348485641746
Energy: 0.9378725151627306
Energy: 0.7332501723732519
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Energy: 0.7332501723763974
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Energy: 0.940065202619804
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Energy: 0.9376751319000695
Energy: 0.8101571369733304
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Energy: 0.9376751319112536
Energy: 0.8100466594173773
Energy: 0.9372722302049488
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Energy: 0.8101571369929026
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Energy: 0.7333530289538467
Energy: 0.9381941453858607
Energy: 0.939098584824917
Energy: 0.7992835771060143
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Energy: 0.916388165599158
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Energy: 1.00059907958455
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Energy: 0.9783851413067023
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Energy: 0.9783851412909745
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Energy: 0.9783851413074013
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Energy: 0.9214777839567445
Energy: 0.8103427119402703
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Energy: 0.9394113849757896
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Energy: 0.8103427119346783
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Energy: 0.8265973013909035
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Energy: 1.0311797592537175
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Energy: 1.031179759254766
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Energy: 0.938668482367772
Energy: 0.94094985627961
Energy: 0.794217197868467
Energy: 0.7329072477401385
Energy: 0.940949856281008
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Energy: 0.6915628001451606
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Energy: 0.9379671865608692
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Energy: 0.9334266135682934
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Energy: 0.6915628001409666
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Energy: 0.9379671865762473
Energy: 0.6915628001385201
Energy: 0.9751139042298491
Energy: 0.733289576834255
Energy: 0.9806969876641769
Energy: 0.975113904227085
Energy: 0.7332895768311094
Energy: 0.980696987649498
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Energy: 0.733289576835653
Energy: 0.9806969876554393
Energy: 0.9751139042263859
Energy: 0.9727996691610052
Energy: 0.7991507459287681
Energy: 0.8135962628693981
Energy: 0.9727996691505202
Energy: 0.7991507459336611
Energy: 0.8135962628592625
Energy: 0.9727996691582091
Energy: 0.7991507459305156
Energy: 0.8135962628680001
Energy: 0.9727996691487726
Energy: 0.8378019787865949
Energy: 0.9395418760180843
Energy: 0.7880943099181595
Energy: 0.8378019787963811
Energy: 0.9395418760271717
Energy: 0.7880677657675141
Energy: 0.8378019787893911
Energy: 0.9395418760184338
Energy: 0.7880943099192079
Energy: 0.837801978787993
Energy: 0.7327344022900488
Energy: 0.9398479419891645
Energy: 0.9396128844228192
Energy: 0.7973128136993124
Energy: 0.9398479419790606
Energy: 0.9396128844340033
Energy: 0.7327344022886507
Energy: 0.9398479419752162
Energy: 0.9396128844465537
Energy: 0.7973128137031569
Energy: 0.8114426964879878
Energy: 0.8103405232621205
Energy: 0.9035651775945827
Energy: 0.811442696498473
Energy: 0.8103405232705084
Energy: 0.9035651775879421
Energy: 0.8114426964837939
Energy: 0.8103405232743531
Energy: 0.9035651775830492
Energy: 0.8114426964823959
Energy: 0.8579461958222536
Energy: 0.910099465715139
Energy: 0.9637566283322473
Energy: 0.8777195521219453
Energy: 0.9100994657270223
Energy: 0.9637566283371404
Energy: 0.8579461958159624
Energy: 0.9100994657182847
Energy: 0.9637566283392374
Energy: 0.877719552131382
Energy: 0.9395348485641746
Energy: 0.9378725151644782
Energy: 0.7332501723743005
Energy: 0.939534848568019
Energy: 0.9378725151637792
Energy: 0.7332501723788439
Energy: 0.9395348485732615
Energy: 0.9378725151697208
Energy: 0.7332501723784943
Energy: 0.9395348485743099

minimum gb energy = 0.6915628001385201 eV
minimum distance =  2.39320341642945 Angstroms
sigma value = 75


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

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Energy: 0.8062181522495853
Energy: 0.8060596482796956
Energy: 0.92093649680642
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minimum gb energy = 0.8060596482762847 eV
minimum distance =  2.15286364646813 Angstroms
sigma value = 105


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

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Energy: 0.9540599180269327
Energy: 0.9966360898562596
Energy: 1.0251915576215556
Energy: 0.9783469853826133
Energy: 0.9966360898568193
Energy: 1.0251915576213457
Energy: 0.9783469853820188
Energy: 0.996636089853356
Energy: 1.0251915576245991
Energy: 0.9783469853808643
Energy: 0.9966360898597226
Energy: 0.984635543648549
Energy: 0.9848812572808097
Energy: 0.9347031006972988
Energy: 0.9701699072546115
Energy: 0.9848812572850425
Energy: 0.934703100696704
Energy: 0.9297793436568859
Energy: 0.9848812572796553
Energy: 0.9347031006970888
Energy: 0.9297793436526881
Energy: 1.026892068758318
Energy: 0.9606571336546569
Energy: 0.9476332843628065
Energy: 1.0268920687519516
Energy: 0.9606571336519631
Energy: 0.9476332843510877
Energy: 1.02689206875447
Energy: 0.9606571336550416
Energy: 0.9476332843597282
Energy: 1.026892068752546
Energy: 0.9691330192261844
Energy: 0.9695551986478266
Energy: 1.0136090874434909
Energy: 0.9691330192219515
Energy: 0.9695551986555225
Energy: 1.0136090874438757
Energy: 0.969133019219258
Energy: 0.969555198667451
Energy: 1.013609087443701
Energy: 0.9691330192263592
Energy: 0.9126018761568075
Energy: 0.9085380128392124
Energy: 0.9125020360340943
Energy: 0.9126018761568075
Energy: 0.9085380128425008
Energy: 0.9125020360325551
Energy: 0.9126018761560379
Energy: 0.9085380128392124
Energy: 0.9125020360354237
Energy: 0.912601876155828
Energy: 0.9974644988803104
Energy: 0.954181566737146
Energy: 1.028203272378187
Energy: 0.9974644988683818
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Energy: 1.028203272380111
Energy: 0.9974644988681719
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Energy: 1.0282032723778025
Energy: 0.9974644988720198
Energy: 0.9127524234812066
Energy: 0.9671202715377573
Energy: 0.9078828303711328
Energy: 0.9127524234806119
Energy: 0.9671202715433194
Energy: 0.9078828303753655
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Energy: 0.9078828303730568
Energy: 0.9127524234786881
Energy: 0.9077009154187156
Energy: 1.0489909443459053
Energy: 1.0443930560946981
Energy: 0.9077009154179461
Energy: 1.0489909443466752
Energy: 1.044393056092564
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Energy: 1.0489909443482142
Energy: 1.044393056092774
Energy: 0.9077009154189254
Energy: 1.0146831299369594
Energy: 0.9080598193771487
Energy: 0.9583505044026766
Energy: 1.0146831299344758
Energy: 0.9080598193796673
Energy: 0.9583505044061397
Energy: 1.014683129934091
Energy: 0.9080598193773585
Energy: 0.9583505044009624
Energy: 1.0146831299390933
Energy: 0.953345893357147
Energy: 0.9350846846555927
Energy: 0.9773800044787713
Energy: 0.9533458933556079
Energy: 0.9350846846592307
Energy: 0.9773800044764626
Energy: 0.9533458933548382
Energy: 0.9350846846582862
Energy: 0.9773800044783865
Energy: 0.9533458933563774
Energy: 0.9126575402512611
Energy: 0.912653824003936
Energy: 0.9084609551573711
Energy: 0.9126575402487425
Energy: 0.9126538240050903
Energy: 0.9084609551619889
Energy: 0.9126575402522056
Energy: 0.9126538240026068
Energy: 0.9084609551585255
Energy: 0.9126575402485676
Energy: 0.9372333458746519
Energy: 0.9709983845047481
Energy: 0.915558701566545
Energy: 0.9372333458923524
Energy: 0.9709983845053429
Energy: 0.9155587015651808
Energy: 0.9372333458763661
Energy: 0.9709983845041884
Energy: 0.9155587015673144
Energy: 0.9372333458842719
Energy: 1.015980086917458
Energy: 0.9474563133799345
Energy: 0.9966694352293497
Energy: 1.0159800869147646
Energy: 0.9474563133741627
Energy: 0.9966694352280204
Energy: 1.015980086917668
Energy: 0.947456313377241
Energy: 0.9966694352291748
Energy: 1.0159800869143798
Energy: 0.9580392975817758
Energy: 1.0280157344909644
Energy: 0.9641215043683572
Energy: 0.9892100594254807
Energy: 1.0280157344930632
Energy: 0.9641215043670279
Energy: 1.0028722705181305
Energy: 1.0280157344911394
Energy: 0.9641215043662582
Energy: 1.0176381147492548
Energy: 1.0035913732005235
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Energy: 0.9330448511184178
Energy: 1.0035913732010835
Energy: 0.9809724098031889
Energy: 0.9330448511205168
Energy: 1.0035913732010835
Energy: 0.9809724097987466
Energy: 0.9330448511182081
Energy: 1.0035913732006985
Energy: 0.9776823035629079
Energy: 0.9997449065405658
Energy: 0.9503675964055674
Energy: 0.9776823035625231
Energy: 0.9997449065284624
Energy: 0.9503675964015097
Energy: 0.9776823035632926
Energy: 0.9997449065384668
Energy: 0.9503675964051828
Energy: 0.9776823035630826
Energy: 0.9337186365967953
Energy: 0.9126024699566905
Energy: 0.9129491620999561
Energy: 0.9337186365985095
Energy: 0.9126024699589643
Energy: 0.9129491621009005
Energy: 0.9337186365973551
Energy: 0.912602469955711
Energy: 0.9129491621028244
Energy: 0.933718636599279
Energy: 0.9130914477118306
Energy: 0.9334403262260036
Energy: 0.9609869858717929
Energy: 0.9130914477162381
Energy: 0.9334403262283124
Energy: 0.9609869858737168
Energy: 0.9130914477123903
Energy: 0.9334403262283124
Energy: 0.960986985871233
Energy: 0.9130914477118306
Energy: 1.0359124231618257
Energy: 0.9338281063988602
Energy: 1.0252069878299312
Energy: 1.0359124231602868
Energy: 0.9338281063984754
Energy: 1.025206987830316
Energy: 1.035912423161616
Energy: 0.9338281063978806
Energy: 1.0252069878449033
Energy: 1.0359124231602868
Energy: 0.9645456804256752
Energy: 0.9577153027020415
Energy: 0.9079723150676134
Energy: 0.9645456804197284
Energy: 0.9577153027030211
Energy: 0.907972315066459
Energy: 0.9645456804237514
Energy: 0.9577153027001176
Energy: 0.9079723150678234
Energy: 0.9645456804201132
Energy: 0.9216144459243566
Energy: 0.957999139734975
Energy: 0.9544164607322172
Energy: 0.9216144459055018
Energy: 0.9579991397359197
Energy: 0.9544164607260602
Energy: 0.9216144459105041
Energy: 0.9579991397342055
Energy: 0.9544164607312376
Energy: 0.9216144459299535
Energy: 1.0128967194321714
Energy: 0.9784368205294537
Energy: 0.9968653857027993
Energy: 1.0128967194300378
Energy: 0.9784368205294537
Energy: 0.9968653857075918
Energy: 1.0128967194294778
Energy: 0.9784368205279146
Energy: 0.9968653857027993
Energy: 1.012896719429093
Energy: 0.9846456097677557
Energy: 0.9351123196133496
Energy: 0.9852320464506411
Energy: 0.9846456097644677
Energy: 0.9351123196150636
Energy: 0.9852320464479476
Energy: 0.9846456097662167
Energy: 0.9351123196127548
Energy: 0.9852320464506411
Energy: 0.9846456097627535

minimum gb energy = 0.9077009154179461 eV
minimum distance =  2.28563206535252 Angstroms
sigma value = 165


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

Energy: 0.9393827032098895
Energy: 0.9528359296660052
Energy: 0.9526417498836929
Energy: 0.9034971713490338
Energy: 0.9528359296673262
Energy: 0.9526417498817115
Energy: 0.9393827032059264
Energy: 0.9528359296653446
Energy: 0.9526417498797299
Energy: 0.9034971713490338
Energy: 1.0024821433409268
Energy: 0.9013854919373977
Energy: 0.9846699933695945
Energy: 1.0024821433402662
Energy: 0.9013854919400397
Energy: 0.9846699933682735
Energy: 1.0024821433415871
Energy: 0.9013854919354161
Energy: 0.9846699933682735
Energy: 1.0024821433455502
Energy: 0.9321782721988662
Energy: 0.9750213247713492
Energy: 0.9003952626991333
Energy: 0.9321782722008477
Energy: 0.9750213247733307
Energy: 0.9003769704024603
Energy: 0.9321782721995266
Energy: 0.9750213247733307
Energy: 0.9003952626958308
Energy: 0.9321782721982056
Energy: 0.9904897109358991
Energy: 0.9458983886539082
Energy: 0.8990582653122787
Energy: 0.9904897109365598
Energy: 0.9458983886525871
Energy: 0.8990582653129393
Energy: 0.9904897109372202
Energy: 0.9458983886539082
Energy: 0.8990582653109578
Energy: 0.9904897109378809
Energy: 0.961843183413561
Energy: 0.959435937199112
Energy: 0.9126061841485252
Energy: 0.9618431834148822
Energy: 0.959435937199112
Energy: 0.9126061841518277
Energy: 0.9618431834168638
Energy: 0.9594359371997724
Energy: 0.9126061841511671
Energy: 0.9618431834175242
Energy: 0.9014353897920917
Energy: 1.0419595268391575
Energy: 0.9878176325570824
Energy: 0.9014353897927524
Energy: 1.041959526838497
Energy: 0.987817632555101
Energy: 0.9014353897934128
Energy: 1.0419595268371757
Energy: 0.987817632557743
Energy: 0.9014353897927524
Energy: 0.9530805242714045
Energy: 0.9420237581456045
Energy: 0.9525590449154813
Energy: 0.9530805242714045
Energy: 0.9420237581429624
Energy: 0.9525590449161419
Energy: 0.9530805242720651
Energy: 0.9420237581416413
Energy: 0.9525590449128395
Energy: 0.9530805242727255
Energy: 1.0029417347004166
Energy: 0.9002919216176846
Energy: 0.9004619789539638
Energy: 1.0029417347037193
Energy: 0.900291921619666
Energy: 0.9004619789552849
Energy: 1.0029417347010772
Energy: 0.9002919216216476
Energy: 0.9004619789513219
Energy: 1.0029417347037193
Energy: 0.951907064514367
Energy: 0.954091877652352
Energy: 0.9419881896560602
Energy: 0.951907064510404
Energy: 0.9540918776490497
Energy: 0.9418442689511695
Energy: 0.951907064507762
Energy: 0.9540918776464076
Energy: 0.9419881896514366
Energy: 0.951907064515688
Energy: 0.9413041761914591
Energy: 0.9877583442933673
Energy: 1.0484299930396783
Energy: 0.9011900678959832
Energy: 0.9877583442946885
Energy: 1.048429993040339
Energy: 0.9413041761907988
Energy: 0.9877583442960093
Energy: 1.0484299930429808
Energy: 0.9011900678953229
Energy: 0.9687791756207219
Energy: 0.9131336745045134
Energy: 1.0428637562479743
Energy: 0.9136906177426979
Energy: 0.913133674505174
Energy: 0.9914013475336851
Energy: 0.9687791756220429
Energy: 0.9131336745058344
Energy: 1.0428637562506162
Energy: 0.9136906177446795
Energy: 0.989566551832374
Energy: 0.8992801521685957
Energy: 0.9479177660063464
Energy: 0.9895665518303925
Energy: 0.8992801521699167
Energy: 0.9479177660096489
Energy: 0.9895665518343555
Energy: 0.899280152169256
Energy: 0.947917766007007
Energy: 0.9895665518330344
Energy: 0.9611976908098998
Energy: 0.9003586302836296
Energy: 0.9825425441819569
Energy: 0.9611976908112209
Energy: 0.9003586302842902
Energy: 0.9825425441812964
Energy: 0.9611976908098998
Energy: 0.9003586302823088
Energy: 0.9825425441812964
Energy: 0.9611976908092391
Energy: 0.9955880418510169
Energy: 0.9793595279213329
Energy: 0.9010882454480892
Energy: 0.9955880418516773
Energy: 0.9793595279193512
Energy: 0.9010882454500706
Energy: 0.9955880418503562
Energy: 0.9793595279206722
Energy: 0.9010882454494102
Energy: 0.9955880418536588
Energy: 0.9034971713457314
Energy: 0.9528359296666655
Energy: 0.952641749885014
Energy: 0.9034971713477128
Energy: 0.9528359296653446
Energy: 0.9526417498830325
Energy: 0.9034971713463917
Energy: 0.9528359296640238
Energy: 0.9526417498830325
Energy: 0.9034971713477128

minimum gb energy = 0.8990582653109578 eV
minimum distance =  2.31985486546402 Angstroms
sigma value = 41


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

Energy: 0.9938518311560198
Energy: 0.8210465064922726
Energy: 0.8208631516558558
Energy: 0.9660906150424712
Energy: 0.8210465065045733
Energy: 0.820863151652501
Energy: 0.9938518311514069
Energy: 0.8210465065163618
Energy: 0.8208631516466302
Energy: 0.9660906150424712
Energy: 0.8660262145821315
Energy: 0.7872752205469028
Energy: 0.8851105117545947
Energy: 0.8660262145895865
Energy: 0.7872752205520281
Energy: 0.8851105117469066
Energy: 0.8660262145885614
Energy: 0.7872752205443401
Energy: 0.8851105117507739
Energy: 0.8660262145875364
Energy: 0.8340500165556012
Energy: 0.794873012349254
Energy: 0.847119595828176
Energy: 0.8595698946003385
Energy: 0.7948730123595047
Energy: 0.8142450829051665
Energy: 0.8612892991799235
Energy: 0.7948730123543793
Energy: 0.8142617373913388
Energy: 0.8601025594303889
Energy: 0.806206489479127
Energy: 0.8057483490866592
Energy: 0.8005572068161624
Energy: 0.806206489479127
Energy: 0.8057483490789711
Energy: 0.800554536267992
Energy: 0.8062064894663135
Energy: 0.8057483490892218
Energy: 0.8005572068212877
Energy: 0.8062064894816895
Energy: 0.8221439336622404
Energy: 0.9792258207803772
Energy: 0.8017457098481635
Energy: 0.8221439336673658
Energy: 0.9792258207778144
Energy: 0.8017276053291149
Energy: 0.8221439336566025
Energy: 0.9792258207803772
Energy: 0.8017457098404754
Energy: 0.8221439336627528
Energy: 0.8096131907176675
Energy: 0.8382995829039627
Energy: 0.8605943109070172
Energy: 0.8096131907253555
Energy: 0.8382995828978588
Energy: 0.8605943109098595
Energy: 0.8096131907227928
Energy: 0.8382995828919414
Energy: 0.8605943109165225
Energy: 0.8096131907253555
Energy: 0.8014355700747472
Energy: 0.7951262054287981
Energy: 0.8843654846374702
Energy: 0.8014355700696217
Energy: 0.7951262054313608
Energy: 0.8843654846318323
Energy: 0.8014355700644964
Energy: 0.7951262054313608
Energy: 0.8843654846336494
Energy: 0.8014355700798725
Energy: 0.8206021824328891
Energy: 0.7884650047683851
Energy: 0.8439519898810931
Energy: 0.8206021824282762
Energy: 0.7884696954099917
Energy: 0.8439519898872435
Energy: 0.8206021824323766
Energy: 0.7884650047606971
Energy: 0.8439519898874766
Energy: 0.8206021824331221
Energy: 0.8522314548389462
Energy: 0.9333711478443657
Energy: 0.8038855710072225
Energy: 0.8522314548425342
Energy: 0.9333711478397531
Energy: 0.8038855710105306
Energy: 0.852231454828183
Energy: 0.9333711478346277
Energy: 0.8038855710095056
Energy: 0.8522314548289751
Energy: 0.7909546754041935
Energy: 0.8615687445341702
Energy: 0.819509235514999
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Energy: 0.7909546753965054
Energy: 0.861568744544421
Energy: 0.8195092355142535
Energy: 0.7909546753939427
Energy: 0.786701192083764
Energy: 0.8233314482868492
Energy: 0.8232009687886068
Energy: 0.7867011920914521
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Energy: 0.8232149829785043
Energy: 0.7867011920940149
Energy: 0.8233314482912291
Energy: 0.8232009687914025
Energy: 0.7867011920888894
Energy: 0.7908850404768268
Energy: 0.8438215714706557
Energy: 0.862069225513854
Energy: 0.7908850404717014
Energy: 0.8436070075729469
Energy: 0.8620692255148791
Energy: 0.7908850404717014
Energy: 0.8438215717472864
Energy: 0.8620692255197248
Energy: 0.7908850404742642
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Energy: 0.8023311041181023
Energy: 0.9334377484775755
Energy: 0.8919232111867811
Energy: 0.8023391381737053
Energy: 0.9334377484767833
Energy: 0.8919232111941897
Energy: 0.8023311041129769
Energy: 0.9334377484721708
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Energy: 0.8793327070863796
Energy: 0.821672781393212
Energy: 0.8089939679850263
Energy: 0.879332707093555
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Energy: 0.8793327070915049
Energy: 0.8216727813908821
Energy: 0.808993967987589
Energy: 0.8793327070827918
Energy: 0.7868744653065203
Energy: 0.8875523775922198
Energy: 0.8045564404272767
Energy: 0.7868744652988321
Energy: 0.8875523775850443
Energy: 0.8045564404221512
Energy: 0.7868744652962695
Energy: 0.8875523775901697
Energy: 0.8045564404272767
Energy: 0.7868744653116456
Energy: 0.7936093674868436
Energy: 0.8580919004000825
Energy: 0.8468003746527977
Energy: 0.7936093674765929
Energy: 0.8580919004041828
Energy: 0.8468003746509806
Energy: 0.7936093674791556
Energy: 0.8580919003959824
Energy: 0.8468003746461347
Energy: 0.7936093674791556
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Energy: 0.8212626651535823
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Energy: 0.8212626651566576
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Energy: 0.8609606003847133
Energy: 0.8192236211311831
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Energy: 0.8609606003718999
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Energy: 0.8609606003718999
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Energy: 0.8589347933183449
Energy: 0.8752492860387725
Energy: 0.79545593743201
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Energy: 0.8752492860384928
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Energy: 0.8976724751208152
Energy: 0.7873151117924024
Energy: 0.8064243528643793
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Energy: 0.7873151117924024
Energy: 0.8065387556423638
Energy: 0.8976724751213276
Energy: 0.7873151117847145
Energy: 0.8064243528566912
Energy: 0.8087785810505501
Energy: 0.821363238231774
Energy: 0.8216860416810849
Energy: 0.8087786410267073
Energy: 0.8213632382258564
Energy: 0.8216860416941314
Energy: 0.8087785810556755
Energy: 0.8213632382210108
Energy: 0.821686041687748
Energy: 0.8087786410267073
Energy: 0.8688880743093915
Energy: 0.801545806089413
Energy: 0.862812783486683
Energy: 0.8688880743129793
Energy: 0.8015458060817248
Energy: 0.8628127834940915
Energy: 0.8688880743086461
Energy: 0.8015458060919756
Energy: 0.8628127834910163
Energy: 0.8688880743119541
Energy: 0.841781880361921
Energy: 0.9480374108254908
Energy: 0.7850877690582921
Energy: 0.8417818803721717
Energy: 0.9480374108211111
Energy: 0.7850877690531668
Energy: 0.8417818803824224
Energy: 0.9480374108124445
Energy: 0.8174959463793015
Energy: 0.8417818803849851
Energy: 0.8234516836443199
Energy: 0.822991019398824
Energy: 0.7874331381617683
Energy: 0.8234516836445527
Energy: 0.822991019399849
Energy: 0.7874331381668936
Energy: 0.8234516836371443
Energy: 0.8229910193921609
Energy: 0.7874331381592056
Energy: 0.8234516836332769
Energy: 0.8338713690698984
Energy: 0.851441136321453
Energy: 0.788578803231506
Energy: 0.8338713690732532
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Energy: 0.7885788032289432
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Energy: 0.8514411363342665
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Energy: 0.8385522822054967
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Energy: 0.8038204350986474
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Energy: 0.841538036318058
Energy: 0.7958595632162899
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Energy: 0.8634955435143001
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Energy: 0.8840853475992433
Energy: 0.7891150391385865
Energy: 0.8457278460353684
Energy: 0.8840853475946306
Energy: 0.7891150391335077
Energy: 0.8457278460343435
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Energy: 0.7891150391488373
Energy: 0.8457278460350889
Energy: 0.8840853475987308
Energy: 0.8799706131862773
Energy: 0.8215678588459739
Energy: 0.9656911283029493
Energy: 0.8799706131747218
Energy: 0.821567858839078
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Energy: 0.8799706131791017
Energy: 0.8215678588290602
Energy: 0.9656911283090999
Energy: 0.8799706131873023
Energy: 0.786846489182338
Energy: 0.9187077928401551
Energy: 0.8177304461662932
Energy: 0.7868464891874634
Energy: 0.9182493200709758
Energy: 0.8177304461714187
Energy: 0.7868464891874634
Energy: 0.9187077928299043
Energy: 0.8177304461714187
Energy: 0.7868464891849007
Energy: 0.7933120279302037
Energy: 0.8196481534236725
Energy: 0.824686439814686
Energy: 0.7933120279302037
Energy: 0.8198559897639138
Energy: 0.8246697839639981
Energy: 0.7933120279353292
Energy: 0.8196481534231599
Energy: 0.8246864398118904
Energy: 0.7933120279353292
Energy: 0.84947946600723
Energy: 0.8018951085800512
Energy: 0.8062121917671053
Energy: 0.8494794660118427
Energy: 0.8018977970847067
Energy: 0.8062121917645427
Energy: 0.8494794660036421
Energy: 0.801895108574926
Energy: 0.8062121917568547
Energy: 0.8494794660056924
Energy: 0.8540997160570012
Energy: 0.8007502069372021
Energy: 0.8529224736205412
Energy: 0.8540997160595638
Energy: 0.8007479457121224
Energy: 0.8529224736128531
Energy: 0.8540997160595638
Energy: 0.8007502069500156
Energy: 0.8529224736154158
Energy: 0.8540997160544384
Energy: 0.8601608429157147
Energy: 0.8622238224264411
Energy: 0.8094608244846268
Energy: 0.8601608429193026
Energy: 0.8622238224290039
Energy: 0.8094608244820641
Energy: 0.8601608429226107
Energy: 0.8622238224141402
Energy: 0.8094608244795014
Energy: 0.8601608429210732

minimum gb energy = 0.7850877690531668 eV
minimum distance =  2.2338996390947 Angstroms
sigma value = 185


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

Energy: 0.6134262643838375
Energy: 0.4529473883169482
Energy: 0.45354640092068815
Energy: 0.4553965278668419
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Energy: 0.43013588552321774
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Energy: 0.6090133514663966
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Energy: 0.45971267951493355
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Energy: 0.41318566403800533
Energy: 0.5429632201302734
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Energy: 0.5429632201302734
Energy: 0.5757242989045884
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Energy: 0.37347653876668885
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Energy: 0.45354640092160076
Energy: 0.37347653876668885
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Energy: 0.4529473883172524
Energy: 0.45354640092281756
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Energy: 0.5429449208491193
Energy: 0.4301358855156403
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Energy: 0.45719328641118784
Energy: 0.4266479827184173
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Energy: 0.6001401807754068
Energy: 0.4597126795103705
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Energy: 0.4934215422607332
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Energy: 0.6082692013050084
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Energy: 0.455001151543255
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Energy: 0.4550011515450525
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Energy: 0.6082692013019663
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Energy: 0.6082692013007495
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Energy: 0.6082692013010537
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Energy: 0.5635676592126081
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Energy: 0.440571808363967
Energy: 0.5350870375645125
Energy: 0.5747055444393097
Energy: 0.4405718083627502
Energy: 0.5635676592031778
Energy: 0.5747055444417433
Energy: 0.44057180836092497
Energy: 0.6068961250960232
Energy: 0.4921890135131319
Energy: 0.45834980397505143
Energy: 0.6068961250966316
Energy: 0.4937584295542372
Energy: 0.4583498039790061
Energy: 0.6068961250987334
Energy: 0.4921890135128276
Energy: 0.4583498039790061
Energy: 0.6068961250957189
Energy: 0.45483515940233105
Energy: 0.5495093822263276
Energy: 0.4550011515408213
Energy: 0.40722375455344595
Energy: 0.5780851130071953
Energy: 0.455001151543255
Energy: 0.45483515940567726
Energy: 0.5495093822226771
Energy: 0.4550011515468778
Energy: 0.40722375453975673
Energy: 0.4131815072497248
Energy: 0.4267722121229503
Energy: 0.44787885162755914
Energy: 0.41318566403861373
Energy: 0.4268918966083636
Energy: 0.4478788516272549
Energy: 0.41318150725094155
Energy: 0.42677221212203764
Energy: 0.4478788516287759
Energy: 0.41318566403861373
Energy: 0.5429632201348089
Energy: 0.5757242988957665
Energy: 0.43060519356163424
Energy: 0.5429632201342282
Energy: 0.5757242988982001
Energy: 0.43060519356133004
Energy: 0.5429632201348089
Energy: 0.57572429890398
Energy: 0.43060519355828797
Energy: 0.5429632201324028

minimum gb energy = 0.37347653876668885 eV
minimum distance =  2.38696280771255 Angstroms
sigma value = 33


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

Energy: 0.7807720031000231
Energy: 0.7727244971440059
Energy: 0.7830170626199322
Energy: 0.7424208424582976
Energy: 0.7727244971440059
Energy: 0.7830170626232418
Energy: 0.780772003091673
Energy: 0.7727244971440059
Energy: 0.7830170626082422
Energy: 0.7424208424599675
Energy: 0.7669574390696581
Energy: 0.7476210414641999
Energy: 0.7672894400542714
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Energy: 0.7669574390663181
Energy: 0.7486470572564776
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Energy: 0.763826513033887
Energy: 0.7509971396320734
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Energy: 0.763826513030547
Energy: 0.7413081830319563
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Energy: 0.7638265130355569
Energy: 0.7413081830369664
Energy: 0.8752939000584258
Energy: 0.7502906326592488
Energy: 0.753722448964777
Energy: 0.8752939000617657
Energy: 0.7502906326675989
Energy: 0.753722448956427
Energy: 0.8752939000584258
Energy: 0.7502906326625888
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Energy: 0.8752939000584258
Energy: 0.768286492256679
Energy: 0.7610691975272794
Energy: 0.7615572359770578
Energy: 0.768286492263359
Energy: 0.7610691975289495
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Energy: 0.768286492265029
Energy: 0.7610691975306194
Energy: 0.7615572359753877
Energy: 0.768286492258349
Energy: 0.7956384910983488
Energy: 0.7978218395590058
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Energy: 0.7670541053646833
Energy: 0.7636447388644446
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Energy: 0.8408085403312995
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Energy: 0.8408085403346395
Energy: 0.767210757843036
Energy: 0.7771327037617006
Energy: 0.7466512417492863
Energy: 0.8163562648933006
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Energy: 0.7622533187678472
Energy: 0.7707073278908659
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Energy: 0.7515667388299088
Energy: 0.786366165741979
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Energy: 0.7515667388232288
Energy: 0.7885704735528674
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Energy: 0.7515667388299088
Energy: 0.7863661657386392
Energy: 0.8011711423998006
Energy: 0.7515667388315788
Energy: 0.7566387750694046
Energy: 0.7631278369099841
Energy: 0.7622591206973057
Energy: 0.7566387750760843
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Energy: 0.7626019703265189
Energy: 0.7566387750727446
Energy: 0.763127836903304
Energy: 0.7622591206989756
Energy: 0.7566387750643945
Energy: 0.7527108103637844
Energy: 0.7790646398274589
Energy: 0.7831073771951519
Energy: 0.7527108103621145
Energy: 0.7755678204601228
Energy: 0.7831073771934819
Energy: 0.7527108103654545
Energy: 0.7790646398341389
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Energy: 0.7527108103588048
Energy: 0.7737859459957552
Energy: 0.7610166331561506
Energy: 0.7635421134952973
Energy: 0.7737859459957552
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Energy: 0.752526493508528
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Energy: 0.7823638084536406
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Energy: 0.7682152812034991
Energy: 0.7850807459948959
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Energy: 0.7682152812085091
Energy: 0.7793824902848261
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Energy: 0.7859929417093616
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Energy: 0.7794569072747765
Energy: 0.7859929417093616
Energy: 0.7793824902881662
Energy: 0.7794569072680965
Energy: 0.7859929417076914
Energy: 0.7793824902864962
Energy: 0.7726838154782536
Energy: 0.7662311054258545
Energy: 0.8168590034069841
Energy: 0.7726838154715735
Energy: 0.7662311054225144
Energy: 0.8168590034069841
Energy: 0.7726838154699035
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Energy: 0.8168590034103241
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Energy: 0.8202374486765908
Energy: 0.7441715684300441
Energy: 0.7467987358761434
Energy: 0.8202374486782606
Energy: 0.7441715684216941

minimum gb energy = 0.7226793492420908 eV
minimum distance =  2.23976220146584 Angstroms
sigma value = 219


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

Energy: 0.9281115330706452
Energy: 1.010718181292263
Energy: 1.0109302941253657
Energy: 0.9281115330695399
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Energy: 0.9468306663190065
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Energy: 0.9373509983077564
Energy: 0.9232146857891094
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Energy: 0.9373509983099669
Energy: 0.9232146857857938
Energy: 0.9228651052389749
Energy: 1.0050165382682203
Energy: 0.976807009591012
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Energy: 1.0050165382660101
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Energy: 1.0050165382682203
Energy: 0.9768070095921172
Energy: 0.9228651052378697
Energy: 0.963087938733777
Energy: 0.978154841912159
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Energy: 0.9630879387348823
Energy: 0.978154841912159
Energy: 1.0084692984318628
Energy: 0.963087938733777
Energy: 0.978154841913264
Energy: 1.0084692984318628
Energy: 0.9630879387348823

minimum gb energy = 0.9228651052378697 eV
minimum distance =  2.29844459961367 Angstroms
sigma value = 15


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

Energy: 1.0929164129228086
Energy: 1.1208457382021872
Energy: 1.1209727027023024
Energy: 1.0929164129268854
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Energy: 1.098749283363261
Energy: 1.082576079589772
Energy: 1.0782096534046073
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Energy: 1.100364660007352
Energy: 1.0873611230362858
Energy: 1.056596268159893
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Energy: 1.087361123048516
Energy: 1.0565962681619312
Energy: 1.100364660007352
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Energy: 1.1003646600053136
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Energy: 1.0999240804091135
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Energy: 1.071429260894546
Energy: 1.083730460008694
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Energy: 1.0714292608884306
Energy: 1.0837304599985027
Energy: 1.1223139639559518
Energy: 1.071429260894546
Energy: 1.0837304600046176
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minimum gb energy = 1.0426291542205381 eV
minimum distance =  2.17474050713858 Angstroms
sigma value = 293


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

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Energy: 1.0984814576345447
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Energy: 1.0984814576352937
Energy: 1.149446170091224
Energy: 1.120020560336519
Energy: 1.2025730276096533
Energy: 1.0751831178460192
Energy: 1.048208423388929
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Energy: 1.0482084233844355
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Energy: 1.0751831178510125
Energy: 1.0482084233794424
Energy: 1.2025730276004392
Energy: 1.102808381542581
Energy: 1.103724163127068
Energy: 1.0395551919432937
Energy: 1.1028083815450773
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Energy: 1.1037241631263188
Energy: 1.0395551919405475
Energy: 1.1028083815445782
Energy: 1.069481807695032
Energy: 1.0679572780502506
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Energy: 1.0679572780612352
Energy: 1.0397115321943897
Energy: 1.0694818076925359
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Energy: 1.0397115322026282
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Energy: 1.1163420697604816
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Energy: 1.1163420832064317
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Energy: 1.0940010137429022
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Energy: 1.0939278492454183
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Energy: 1.11326790380991
Energy: 1.1164187648419728
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Energy: 1.0482757919406536
Energy: 1.1132679038089113
Energy: 1.1164187647968093
Energy: 1.0695733567006225
Energy: 1.0396897794707318
Energy: 1.061116305288094
Energy: 1.069573356704617
Energy: 1.0396897794861872
Energy: 1.0611163207285783
Energy: 1.0695733566986254
Energy: 1.0396897794530071
Energy: 1.061116286414775
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Energy: 1.1027611983557004
Energy: 1.2026005401416495
Energy: 1.0482325672477049
Energy: 1.0751537057280363
Energy: 1.2026005401374058
Energy: 1.0482325672569417
Energy: 1.0751537057187994
Energy: 1.2026005401354087
Energy: 1.0482325672502013
Energy: 1.0751537057110603
Energy: 1.2026005401384043
Energy: 1.1188970860047074
Energy: 1.149509852093812
Energy: 1.0985333473026433
Energy: 1.1188970860087017
Energy: 1.1495098520873213
Energy: 1.0985333473011454
Energy: 1.118897086018438
Energy: 1.1495098520913152
Energy: 1.098533347302893
Energy: 1.118897086015692
Energy: 1.0475242200627324
Energy: 1.0720328673203936
Energy: 1.0576111638631993
Energy: 1.0475242200592374
Energy: 1.0720328673156503
Energy: 1.0576087917037105
Energy: 1.04752422006448
Energy: 1.072032867319395
Energy: 1.0576079867485735
Energy: 1.0475242200699724
Energy: 1.170556378785594
Energy: 1.1009586099896485
Energy: 1.1009469265817164
Energy: 1.1705563788013216
Energy: 1.1009586099923945
Energy: 1.1009469265779719
Energy: 1.170556378793333
Energy: 1.1009586099866526
Energy: 1.1009469265881848
Energy: 1.1705563787958293
Energy: 1.0475205034952675
Energy: 1.0575467199744724
Energy: 1.0718574838245996
Energy: 1.047520503506252
Energy: 1.057568577257315
Energy: 1.071857483808123
Energy: 1.0475205034922719
Energy: 1.0575670959888368
Energy: 1.0718574838158619
Energy: 1.0475205035070008
Energy: 1.120020560335044
Energy: 1.0984814576360427
Energy: 1.149446170082736
Energy: 1.1200205603325473
Energy: 1.0984814576352937
Energy: 1.1494461700864809
Energy: 1.1200205603395148
Energy: 1.0984814576362696
Energy: 1.149446170087729
Energy: 1.1200205603417617
Energy: 1.2025730276066575
Energy: 1.0751831178393016
Energy: 1.0482084233774454
Energy: 1.2025730276074067
Energy: 1.0751831178422973
Energy: 1.0482084233824385
Energy: 1.2025730276094038
Energy: 1.075183117831313
Energy: 1.0482084233884297
Energy: 1.2025730275996902
Energy: 1.1028083815445782
Energy: 1.1037241631245716
Energy: 1.0395551919412964
Energy: 1.1028083815430803
Energy: 1.1037241631233232
Energy: 1.039555191937302
Energy: 1.1028083815450773
Energy: 1.103724163127068
Energy: 1.0395551919355546
Energy: 1.1028083815428307

minimum gb energy = 1.0395499844296467 eV
minimum distance =  2.28625288182947 Angstroms
sigma value = 293


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

Energy: 1.0756074159300897
Energy: 1.0801022454505556
Energy: 1.080104571693685
Energy: 1.0756074159192608
Energy: 1.0801022454478482
Energy: 1.0801045716932336
Energy: 1.0756074159246753
Energy: 1.0801022454505556
Energy: 1.080104571694136
Energy: 1.0756074159233215
Energy: 1.079573655104893
Energy: 1.075076765694707
Energy: 1.080820305456868
Energy: 1.079573655107149
Energy: 1.0750767656960605
Energy: 1.08082030546138
Energy: 1.0795736551076003
Energy: 1.0750767656938043
Energy: 1.0808203054541607
Energy: 1.0795736551039907
Energy: 1.078742222025083
Energy: 1.0786523484646608
Energy: 1.0407120238105072
Energy: 1.0787422220232783
Energy: 1.0786523484628558
Energy: 1.040712023803739
Energy: 1.0787422220259855
Energy: 1.0786523484646608
Energy: 1.040712023803288
Energy: 1.0787422220232783
Energy: 1.0407055904206541
Energy: 1.0786949722710424
Energy: 1.0787451516425546
Energy: 1.040705590421085
Energy: 1.0786949722705912
Energy: 1.0787451516470667
Energy: 1.0407055904255968
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Energy: 1.0407055904143372
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Energy: 1.080799976002904
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Energy: 1.0795636196662688
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Energy: 1.0795636196676224
Energy: 1.080799976002904
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Energy: 1.0801045716923312
Energy: 1.0756074159255775
Energy: 1.0801022454501041
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Energy: 1.0756074159246753
Energy: 1.0801022454492017
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Energy: 1.0756074159224192
Energy: 1.0801022454505556
Energy: 1.0750767656942557
Energy: 1.0808203054609287
Energy: 1.079573655104442
Energy: 1.075076765695609
Energy: 1.0808203054550631
Energy: 1.0795736551053443
Energy: 1.07507676569967
Energy: 1.0808203054591239
Energy: 1.0795736551053443
Energy: 1.0750767656938043
Energy: 1.0786523484628558
Energy: 1.0407120238068976
Energy: 1.078742222022827
Energy: 1.0786523484642097
Energy: 1.040712023802837
Energy: 1.0787422220237295
Energy: 1.0786523484628558
Energy: 1.0407120238114096
Energy: 1.078742222025083
Energy: 1.0786523484642097
Energy: 1.0786949722705912
Energy: 1.078745151647969
Energy: 1.0407055904228897
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Energy: 1.0787451516430058
Energy: 1.0407055904174958
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Energy: 1.078745151647518
Energy: 1.0407055904264995
Energy: 1.0786949722719448
Energy: 1.0750823404565673
Energy: 1.0795636196653662
Energy: 1.0807999760015503
Energy: 1.0750823404502505
Energy: 1.079563619668976
Energy: 1.080799976003355
Energy: 1.0750823404588234
Energy: 1.0795636196667202
Energy: 1.0807999760015503
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Energy: 1.0756074159188096
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Energy: 1.0801022454473967
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Energy: 1.0808203054546117
Energy: 1.0795736551080517
Energy: 1.0750767656978653
Energy: 1.0808203054586727
Energy: 1.079573655104442
Energy: 1.075076765695158
Energy: 1.0808203054559655
Energy: 1.079573655107149
Energy: 1.0750767656969629
Energy: 1.0808203054600265
Energy: 1.0407120238127634
Energy: 1.0787422220255343
Energy: 1.0786523484624253
Energy: 1.040712023803739
Energy: 1.0787422220241807
Energy: 1.0786523484637582
Energy: 1.0407120238046417
Energy: 1.0787422220192175
Energy: 1.0786523484624253
Energy: 1.040712023803739
Energy: 1.0787451516443594
Energy: 1.0407055904147884
Energy: 1.0786949722705912
Energy: 1.078745151647969
Energy: 1.0407055904188494
Energy: 1.0786949722723962
Energy: 1.0787451516461641
Energy: 1.0407055904202027
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Energy: 1.0787451516470667
Energy: 1.079563619668525
Energy: 1.080799976002904
Energy: 1.0750823404534091
Energy: 1.079563619668525
Energy: 1.0807999760015503
Energy: 1.075082340455214
Energy: 1.0795636196662688
Energy: 1.0807999760047087
Energy: 1.075082340451153
Energy: 1.0795636196676224
Energy: 1.0756074159255775
Energy: 1.080102245449653
Energy: 1.0801045716968432
Energy: 1.0756074159210658
Energy: 1.0801022454482994
Energy: 1.0801045716923312
Energy: 1.0756074159255775
Energy: 1.080102245449653
Energy: 1.0801045716963922
Energy: 1.0756074159233215
Energy: 1.0795736551053443
Energy: 1.075076765695609
Energy: 1.0808203054564165
Energy: 1.0795736551066977
Energy: 1.0750767656978653
Energy: 1.0808203054595753
Energy: 1.079573655106247
Energy: 1.075076765694707
Energy: 1.0808203054537093
Energy: 1.079573655104893
Energy: 1.0787422220237295
Energy: 1.0786523484646608
Energy: 1.0407120238100562
Energy: 1.078742222022827
Energy: 1.0786523484628558
Energy: 1.0407120238159218
Energy: 1.078742222024632
Energy: 1.0786523484642097
Energy: 1.0407120238068976
Energy: 1.078742222022376
Energy: 1.040705590412081
Energy: 1.0786949722714936
Energy: 1.0787451516434572
Energy: 1.0407055904156908
Energy: 1.07869497227014
Energy: 1.078745151647969
Energy: 1.040705590418398
Energy: 1.0786949722719448
Energy: 1.078745151647518
Energy: 1.0407055904165932
Energy: 1.0807999760020015
Energy: 1.0750823404570187
Energy: 1.0795636196671712
Energy: 1.0807999760038063
Energy: 1.0750823404525065
Energy: 1.0795636196676224
Energy: 1.0807999760020015
Energy: 1.0750823404520553
Energy: 1.0795636196649154
Energy: 1.0807999760042577
Energy: 1.0801022454478482
Energy: 1.0801045716914288
Energy: 1.0756074159269313
Energy: 1.0801022454501041
Energy: 1.0801045716945872
Energy: 1.0756074159210658
Energy: 1.0801022454487506
Energy: 1.0801045716932336
Energy: 1.0756074159237727
Energy: 1.0801022454505556
Energy: 1.0750767657001212
Energy: 1.0808203054595753
Energy: 1.0795736551057955
Energy: 1.075076765694707
Energy: 1.0808203054559655
Energy: 1.0795736551030881
Energy: 1.0750767656969629
Energy: 1.0808203054627132
Energy: 1.079573655104893
Energy: 1.075076765697414

minimum gb energy = 1.040705590412081 eV
minimum distance =  2.33321239035259 Angstroms
sigma value = 15


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

Energy: 1.1038654531938454
Energy: 1.103997890223889
Energy: 1.0820907395028618
Energy: 1.0689570989955242
Energy: 1.1039978902279795
Energy: 1.0820907394967256
Energy: 1.1038654531897547
Energy: 1.1039978902320702
Energy: 1.0820907394885817
Energy: 1.0689570989955242
Energy: 1.094591954621134
Energy: 1.0311686055147133
Energy: 1.025260763637437
Energy: 1.0945919546191258
Energy: 1.0311686055126683
Energy: 1.0252607636394824
Energy: 1.094591954621134
Energy: 1.0311686055065694
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Energy: 1.09459195462727
Energy: 1.016845540223532
Energy: 1.1134567191323566
Energy: 1.187373203339814
Energy: 1.0168455402214864
Energy: 1.1134567191303113
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Energy: 1.016845540223532
Energy: 1.113456719136447
Energy: 1.1873732033275421
Energy: 1.016845540223532
Energy: 1.0183229702902892
Energy: 1.0884908033817187
Energy: 1.0188247389445315
Energy: 1.0183229702984704
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Energy: 1.0290277146830031
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Energy: 1.0094737787279773
Energy: 1.1845009085031792
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Energy: 1.0095063032585878
Energy: 1.1845009085031792
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Energy: 1.0140953215653987
Energy: 1.0912101441209363
Energy: 1.1117679363132789
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Energy: 1.0168175304148122
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Energy: 1.1141555697405656
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Energy: 1.1250182915355778
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Energy: 1.0665509421237673
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Energy: 1.1353484680244024
Energy: 1.0660499640390964
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Energy: 1.031287668725769
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Energy: 1.0768579925078599
Energy: 1.0312549146077863
Energy: 1.154461252543512
Energy: 1.0768579925119504
Energy: 1.031254914618013
Energy: 1.1544612525455573
Energy: 1.0768579925037693
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Energy: 1.1544612525476026
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Energy: 1.0938394605956088
Energy: 1.1917557621650294
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Energy: 1.19175576216912
Energy: 1.0118834232458513
Energy: 1.093839460591518
Energy: 1.0842296126372994
Energy: 1.0852185866164499
Energy: 1.0942100977167628
Energy: 1.0844858941709674
Energy: 1.0850918457659997
Energy: 1.0942100977167628
Energy: 1.08422961264139
Energy: 1.0852185866123594
Energy: 1.094210097712672
Energy: 1.0844858941546047
Energy: 1.0156933739539362
Energy: 1.0696214498834138
Energy: 1.0004035736575152
Energy: 1.0156933739416643
Energy: 1.0696214498936403
Energy: 1.0004035736493337
Energy: 1.0156933739478002
Energy: 1.069621449891595
Energy: 1.000403573651379
Energy: 1.0156933739416643
Energy: 1.069133361496977
Energy: 1.0694101078552576
Energy: 1.1010996476595227
Energy: 1.0691333615031127
Energy: 1.069410107857303
Energy: 1.1010996476574775
Energy: 1.069133361505158
Energy: 1.0694101078552576
Energy: 1.1010996476574775
Energy: 1.06913336148675
Energy: 1.029693074965406
Energy: 1.1070706392507408
Energy: 1.10606561226092
Energy: 1.029709636313703
Energy: 1.107070639244605
Energy: 1.1158942441412505
Energy: 1.0296930749633606
Energy: 1.1070706392425596
Energy: 1.1060656122588748
Energy: 1.0297096363075673
Energy: 1.1128596842580072
Energy: 1.0022623953510772
Energy: 1.092231413911321
Energy: 1.1128596842600522
Energy: 1.0022623953490317
Energy: 1.0922314139133664
Energy: 1.1128596842559617
Energy: 1.0022623953428957
Energy: 1.092231413919465
Energy: 1.112859684253916
Energy: 1.0815271446179064
Energy: 1.1379806650688318
Energy: 1.2076076754116218
Energy: 1.0815271446240424
Energy: 1.1379806650626958
Energy: 1.2076076754013954
Energy: 1.0815271446240424
Energy: 1.1379806650606503
Energy: 1.207607675413667
Energy: 1.0815271446260877
Energy: 1.0903877149777512
Energy: 1.0104964665062162
Energy: 1.0482462154681074
Energy: 1.0908159658241106
Energy: 1.0105029643305221
Energy: 1.0482462154681074
Energy: 1.0903877149797965
Energy: 1.0104964665082614
Energy: 1.0482462154701526
Energy: 1.0908159658220655
Energy: 1.0377256303699953
Energy: 1.0191415175261982
Energy: 1.1225032695180512
Energy: 1.037725630374086
Energy: 1.0191415175282437
Energy: 1.122503269520097
Energy: 1.037725630380222
Energy: 1.0191415175200997
Energy: 1.1225032695241874
Energy: 1.0377256303659046
Energy: 1.1453318850965077
Energy: 1.115644158262362
Energy: 1.0291531301105186
Energy: 1.1453318850965077
Energy: 1.1156441582521355
Energy: 1.0293187175987524
Energy: 1.1453318850924172
Energy: 1.1156441582459993
Energy: 1.0291531301146093
Energy: 1.1453318850883265
Energy: 1.0043631120741847
Energy: 1.1198978025142703
Energy: 1.131184757101384
Energy: 1.0043631120823289
Energy: 1.1198978025163155
Energy: 1.1311847570972935
Energy: 1.00436311207623
Energy: 1.1198978025101798
Energy: 1.131184757095248
Energy: 1.0043631120823289
Energy: 1.119224352757971
Energy: 1.1192235243553563
Energy: 1.0159980930446986
Energy: 1.079718131691253
Energy: 1.1192235243614923
Energy: 1.0159980930426535
Energy: 1.1192243527702428
Energy: 1.1192235243635376
Energy: 1.0159980930365176
Energy: 1.079718131691253
Energy: 1.1392299883598398
Energy: 1.1507895656912537
Energy: 1.1139000695377643
Energy: 1.082702384170202
Energy: 1.150789565687163
Energy: 1.1171097172233464
Energy: 1.139229988361885
Energy: 1.1507895656932992
Energy: 1.1139000695234471
Energy: 1.082702384164066
Energy: 1.0027989639855444
Energy: 1.2816328624141715
Energy: 1.0591731149520314
Energy: 1.0027989639753179
Energy: 1.2816328448526924
Energy: 1.059173114949986
Energy: 1.0027989639814539
Energy: 1.2816328538399346
Energy: 1.0591731149479406
Energy: 1.0027989639875898
Energy: 1.0317533339276967
Energy: 1.027306664600433
Energy: 1.019524057870395
Energy: 1.031753333937923
Energy: 1.0273066646024784
Energy: 1.0195240578581228
Energy: 1.0317533339481497
Energy: 1.027306664600433
Energy: 1.0195240578478963
Energy: 1.0317533339317873
Energy: 1.0377196310220902
Energy: 1.1301235329473598
Energy: 1.0135848049268592
Energy: 1.0377196310241354
Energy: 1.1301235329412238
Energy: 1.013542200974887
Energy: 1.037719631020082
Energy: 1.1301235329494055
Energy: 1.013584804932995
Energy: 1.037719631013946
Energy: 1.166561050263339
Energy: 1.0927768617194011
Energy: 1.009675635798617
Energy: 1.1665610502612935
Energy: 1.0927768617173554
Energy: 1.0096756357924812
Energy: 1.1665610502592485
Energy: 1.0927768617153102
Energy: 1.0096756357924812
Energy: 1.1665610502592485
Energy: 1.1404215777578064
Energy: 1.1430054454817022
Energy: 1.0815301317982335
Energy: 1.14042157774758
Energy: 1.1430054454735212
Energy: 1.0815301317961883
Energy: 1.140421577741444
Energy: 1.1430054454776117
Energy: 1.0815301317920976
Energy: 1.1404215777496254
Energy: 1.1670233423057224
Energy: 1.0704560028753936
Energy: 1.003337512351742
Energy: 1.1670233423057224
Energy: 1.0704560028753936
Energy: 1.0033375123456063
Energy: 1.1670233423077674
Energy: 1.0704560028672123
Energy: 1.00333751233947
Energy: 1.1670233423139034
Energy: 1.030523032689241
Energy: 1.1450405060981328
Energy: 1.096673189321762
Energy: 1.0305230326871957
Energy: 1.145040506094042
Energy: 1.096673189321762
Energy: 1.0305230326851504
Energy: 1.1450405060879059
Energy: 1.0966731893258526
Energy: 1.030523032695377
Energy: 1.1167567542615657
Energy: 1.0714356032642653
Energy: 1.0703067811183762
Energy: 1.116756754263611
Energy: 1.055302343634208
Energy: 1.0541510840169226
Energy: 1.1167567542656562
Energy: 1.0714356032622199
Energy: 1.0703067811142857
Energy: 1.1167567542615657
Energy: 1.2420945573314002
Energy: 0.9996035129589674
Energy: 1.0741705908699892
Energy: 1.2420945573518531
Energy: 0.9996035129507863
Energy: 1.0741705908658987
Energy: 1.242094557337536
Energy: 0.9996035129528316
Energy: 1.074170590867944
Energy: 1.2420945573395812
Energy: 1.0860341811465126
Energy: 1.3031339693056476
Energy: 1.085815732259726
Energy: 1.0860341811383314
Energy: 1.3031339693097381
Energy: 1.0858157322576805
Energy: 1.0860341811362861
Energy: 1.3031339693117834
Energy: 1.085815732259726
Energy: 1.0860341811321954
Energy: 1.0892042698364672
Energy: 1.0097901272656318
Energy: 1.2001915736103181
Energy: 1.0892042698385123
Energy: 1.0097980085753833
Energy: 1.2001915736041822
Energy: 1.0892042698385123
Energy: 1.0097901272594962
Energy: 1.2001915736062272
Energy: 1.0892042698364672
Energy: 1.0375090054512666
Energy: 1.035956349981036
Energy: 1.1172562421486993
Energy: 1.037509005449221
Energy: 1.0359563499892175
Energy: 1.1172562421527523
Energy: 1.0375090054553573
Energy: 1.0359563499912627
Energy: 1.1172562421446086
Energy: 1.0375090054512666
Energy: 1.092879907507069
Energy: 1.0626898874903847
Energy: 1.0272527206598112
Energy: 1.092879907507069
Energy: 1.0626898874862942
Energy: 1.0272472170508522
Energy: 1.0928799075132047
Energy: 1.0626898874903847
Energy: 1.0272527206679927
Energy: 1.092879907507069
Energy: 1.0038219514846172
Energy: 1.0543897860798839
Energy: 1.0781027918325454
Energy: 1.0038219514846172
Energy: 1.054389786067612
Energy: 1.0781027918284547
Energy: 1.0038219514907532
Energy: 1.054389786073748
Energy: 1.0781027918325454
Energy: 1.0038219514907532
Energy: 1.066677377365468
Energy: 1.1365390115635399
Energy: 1.140322567644372
Energy: 1.0658117093098223
Energy: 1.1365390115614948
Energy: 1.1403225676484625
Energy: 1.066677377357287
Energy: 1.1365390115635399
Energy: 1.1403225676525535
Energy: 1.0658117089949921

minimum gb energy = 0.9989075557493132 eV
minimum distance =  2.14869125638739 Angstroms
sigma value = 437


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

Energy: 0.9621649364607149
Energy: 0.9602033678703602
Energy: 1.0670589150099523
Energy: 0.9621649364607149
Energy: 0.9602033678778117
Energy: 1.0670589150092071
Energy: 0.9621649364607149
Energy: 0.9602033678718507
Energy: 1.0670589150062264
Energy: 0.9621649364614602
Energy: 1.205507513643205
Energy: 0.9361318862198047
Energy: 0.9393182607667536
Energy: 1.2055075136446953
Energy: 0.9361318862175693
Energy: 0.9393182607682439
Energy: 1.2055075136439504
Energy: 0.9361318862198047
Energy: 0.9393182607667536
Energy: 1.2055075136446953
Energy: 0.9242368999499625
Energy: 0.922732211533967
Energy: 1.1594948301039005
Energy: 0.9242368999551448
Energy: 0.9227322115294962
Energy: 1.1594948301039005
Energy: 0.9242368999529093
Energy: 0.9227322115332219
Energy: 1.1594948301039005
Energy: 0.9242368999536543
Energy: 1.0439022423112139
Energy: 1.1711122110431074
Energy: 0.9868144988337776
Energy: 1.0439022423141944
Energy: 1.171112211545132
Energy: 0.9868144988330324
Energy: 1.0439022423112139
Energy: 1.1711122234144875
Energy: 0.9868144988322871
Energy: 1.0439022423141944
Energy: 1.0266041066612033
Energy: 0.9478407088089396
Energy: 1.1143945766589232
Energy: 1.0266041066574776
Energy: 0.9478407088089396
Energy: 1.1143945766179402
Energy: 1.026604106664929
Energy: 0.9478407088104298
Energy: 1.1143945766581782
Energy: 1.0266041066582228
Energy: 0.9906025312027477
Energy: 1.0796828606786193
Energy: 0.9361452388824071
Energy: 0.9906025312005123
Energy: 1.0796828606793645
Energy: 0.9361452388824071
Energy: 0.9906025312020026
Energy: 1.0796828606801094
Energy: 0.9361452388831523
Energy: 0.9906025311997672
Energy: 0.9821836138979814
Energy: 0.9727634048530653
Energy: 0.9229953491231817
Energy: 0.9821836139017068
Energy: 0.972763404856046
Energy: 0.9229953491217253
Energy: 0.9821836138935104
Energy: 0.9727634048530653
Energy: 0.9229953491239269
Energy: 0.9821836138979814
Energy: 0.971757772886583
Energy: 1.0991682562585523
Energy: 1.0915254748385697
Energy: 0.9717577728850928
Energy: 1.0991682562592973
Energy: 1.0915254748415502
Energy: 0.971757772886583
Energy: 1.0991682562592973
Energy: 1.0915254748415502
Energy: 0.9717577728850928
Energy: 1.215504365691281
Energy: 0.9336509251485133
Energy: 0.9478223630485897
Energy: 1.215504365691281
Energy: 0.9336509251485133
Energy: 0.9478223630493349
Energy: 1.215504365691281
Energy: 0.933650925152239
Energy: 0.9478223630493349
Energy: 1.215504365691281
Energy: 1.0585987302693336
Energy: 1.0992110767604164
Energy: 1.1480888424213684
Energy: 1.0585987302715691
Energy: 1.0992110767596712
Energy: 1.1480888424213684
Energy: 1.0585987302685886
Energy: 1.0992110767574357
Energy: 1.1480888424206233
Energy: 1.0585987302700788
Energy: 1.0123748877237722
Energy: 0.9312018613962139
Energy: 0.9777164807975528
Energy: 1.0123748877267529
Energy: 0.9312018613984492
Energy: 0.9777164807975528
Energy: 1.0123748877245173
Energy: 0.9312018613984492
Energy: 1.104681598399597
Energy: 1.0123748877267529
Energy: 0.9869171530259944
Energy: 0.9318840861750944
Energy: 1.0491377664910948
Energy: 0.9869171530356473
Energy: 0.9318840861758396
Energy: 1.0491377664903498
Energy: 0.9869171530259944
Energy: 0.9318840861743494
Energy: 1.0491377664896047
Energy: 0.9869171530267393
Energy: 0.9331463937374517
Energy: 1.0682916999113703
Energy: 0.9333346346966587
Energy: 0.9331463937419225
Energy: 1.0682916999091348
Energy: 0.9333346346981489
Energy: 0.9331463937344711
Energy: 1.0682916999106251
Energy: 0.9333346346981489
Energy: 0.9331463937404323
Energy: 1.0163249676293602
Energy: 0.9369563574028715
Energy: 1.1012550852774887
Energy: 1.0163249676271247
Energy: 0.9369563574051067
Energy: 1.1012550852767435
Energy: 1.0163249676293602
Energy: 0.9369563574036165
Energy: 1.1012550852759984
Energy: 1.0163249676301052

minimum gb energy = 0.9227322115294962 eV
minimum distance =  2.21071270854323 Angstroms
sigma value = 33