Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.589836478233337
cohesive_energy=3.5173113226742925
mass=63.546
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: -1.33896697780266e-24 eV

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

Energy: 0.013797477760210387
Energy: 0.014211595374668247
Energy: 0.8316010834856158
Energy: 0.014211595374032205
Energy: 0.014211595374032205
Energy: 0.8095940993771249
Energy: 0.014211595374032205
Energy: 0.8095940993765242
Energy: 0.8316010834856158
Energy: 0.014211595374668247
Energy: 0.013797477760210387
Energy: 0.014211595374032205
Energy: 0.014211595374668247
Energy: 0.8095940993765242
Energy: 0.014211595374032205
Energy: 0.8095940993765242

minimum gb energy = 0.013797477760210387 eV
minimum distance =  2.47785071880352 Angstroms
sigma value = 1


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

Energy: 0.9968914064035302
Energy: 1.008380613411097
Energy: 0.933428237220497
Energy: 1.008380613411097
Energy: 0.9481804047544993
Energy: 0.9931917943128253
Energy: 0.9350937666017695
Energy: 0.9931917943128253
Energy: 0.9060404028892896
Energy: 0.9961461149270965
Energy: 0.9349622415531702
Energy: 0.9961461149270965
Energy: 0.9272503580335513
Energy: 1.0193236521046485
Energy: 0.9161937021875818
Energy: 1.0193236521046485
Energy: 0.9298439997599013
Energy: 1.0102069095141264
Energy: 0.9412670186845002
Energy: 1.0102069095141264
Energy: 0.8975744892769405
Energy: 0.9879996821906298
Energy: 0.8868067791771336
Energy: 0.9879996821906298
Energy: 0.9511147186883454
Energy: 0.9966312757146809
Energy: 0.8985459427022578
Energy: 0.9966312757146809
Energy: 0.8473373032301416
Energy: 1.0097450634825786
Energy: 0.8851167579726646
Energy: 1.0097450634825786
Energy: 0.9174432567583588
Energy: 0.9381887521367284
Energy: 0.9432833192010726
Energy: 0.9381887521374999
Energy: 0.8835418703416844
Energy: 0.9958590454931959
Energy: 0.841713588307236
Energy: 0.9958590454931959
Energy: 0.9442757746707374
Energy: 0.9928447250715683
Energy: 0.9175342607063032
Energy: 0.9928447250715683
Energy: 0.91704891906151
Energy: 1.0097956212569508
Energy: 0.8935703851351728
Energy: 1.0097956212569508
Energy: 0.9350666177694814
Energy: 0.9955202857484926
Energy: 0.9511712932387609
Energy: 0.9955202857484926
Energy: 0.9406233140681776
Energy: 1.0013689225677327
Energy: 0.9096003851520491
Energy: 1.0013689225669613
Energy: 0.9377097385890429
Energy: 1.0080462275157063
Energy: 0.9344470296338335
Energy: 1.0080462275157063
Energy: 0.9434182290455432
Energy: 1.0083448154950723
Energy: 0.9351357708517178
Energy: 1.0083448154950723
Energy: 0.9351340674764893
Energy: 0.996332324007035
Energy: 0.8803341282736383
Energy: 0.996332324007035
Energy: 0.9355539278886241
Energy: 0.9878678099130704
Energy: 0.9490597362087383
Energy: 0.9878678099130704
Energy: 0.8945199007744649
Energy: 1.0091454360698207
Energy: 0.8932223149404364
Energy: 1.0091454360698207
Energy: 0.9478724761451177
Energy: 0.9382308497508189
Energy: 0.9206701087826201
Energy: 0.9382308497508189
Energy: 0.8841060270033738
Energy: 0.9961790340525725
Energy: 0.8631495900127552
Energy: 0.9961790340525725
Energy: 0.9162446104708202
Energy: 1.0009784023581605
Energy: 0.9377077224926963
Energy: 1.0009784023573889
Energy: 0.9370886294739268
Energy: 1.0102460103597142
Energy: 0.8881367856601208
Energy: 1.0102460103597142
Energy: 0.9169386038215557
Energy: 0.996232321338532
Energy: 0.8974087330875755
Energy: 0.996232321338532
Energy: 0.8984729220020808
Energy: 0.9850827157505476
Energy: 0.9512999671847463
Energy: 0.9850827157505476
Energy: 0.9335791573125607
Energy: 1.0096468430132564
Energy: 0.8885228392170665
Energy: 1.0096468430132564
Energy: 0.9367420161458273
Energy: 0.994478721156461
Energy: 0.9172775309301101
Energy: 0.994478721156461
Energy: 0.8865993508872911
Energy: 0.9956456189393688
Energy: 0.9351809407828099
Energy: 0.9956456189393688
Energy: 0.9474057927121279
Energy: 1.029078982141814
Energy: 0.9367433677063839
Energy: 1.029078982141814
Energy: 0.9494690104846902
Energy: 1.0086910298913006
Energy: 0.9202236848466386
Energy: 1.0086910298913006
Energy: 0.9434600839729125
Energy: 1.0041068915871436
Energy: 0.9351683125599064
Energy: 1.0041068915871436
Energy: 0.9201088077430927
Energy: 0.9968719130035193
Energy: 0.9415088340145402
Energy: 0.9968719130035193
Energy: 0.9295340633859848
Energy: 1.01812734304426
Energy: 0.9169766286758185
Energy: 1.0181273430450313

minimum gb energy = 0.841713588307236 eV
minimum distance =  2.29280949010418 Angstroms
sigma value = 1


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

Energy: 1.0646811368124915
Energy: 1.0755054430729478
Energy: 0.989231943396368
Energy: 1.0755054430729478
Energy: 0.9750816954924979
Energy: 1.0458682467686213
Energy: 0.9779076177565111
Energy: 1.0458682467686213
Energy: 0.9426045307283952
Energy: 1.0762497601398762
Energy: 0.9787916719039028
Energy: 1.0762497601398762
Energy: 0.9357284812655368
Energy: 0.9649188837436862
Energy: 0.938526071677037
Energy: 0.9649188837436862
Energy: 0.9442269914009888
Energy: 1.056982675043659
Energy: 0.9614928916773707
Energy: 1.056982675043659
Energy: 0.9814885992391251
Energy: 1.0567420827423464
Energy: 0.962653483943571
Energy: 1.0567420827423464
Energy: 0.9747015415910139
Energy: 0.9654258279056571
Energy: 0.9357195756468706
Energy: 0.9654258279065366
Energy: 0.8801933410842808
Energy: 1.0757618747121387
Energy: 0.9250011865776858
Energy: 1.0757618747121387
Energy: 0.9430655459418689
Energy: 0.9933885986025685
Energy: 0.9780719511139974
Energy: 0.9933885986025685
Energy: 0.9359616024693991
Energy: 1.0756745203010931
Energy: 0.9418967179516426
Energy: 1.0756745203010931
Energy: 0.9744360420418879
Energy: 1.0283431625233377
Energy: 0.9714612731496051
Energy: 1.0283431625233377
Energy: 0.9130059576016469
Energy: 1.0658458741423105
Energy: 0.9711402975699333
Energy: 1.0658458741423105
Energy: 0.9943382283862819
Energy: 1.0560635227902766
Energy: 0.9596109292893947
Energy: 1.0560635227902766
Energy: 0.994333084217354
Energy: 1.0560814613853766
Energy: 0.9470777949180743
Energy: 1.0560814613853766
Energy: 0.9129083716709266
Energy: 1.065965680225807
Energy: 0.9795345345235204
Energy: 1.065965680225807
Energy: 0.9744800067158265
Energy: 1.0280692440895896
Energy: 0.9780228544390054
Energy: 1.0280692440895896
Energy: 0.9359484122601129
Energy: 1.0757433127004827
Energy: 0.8995868417260072
Energy: 1.0757433127004827
Energy: 0.9429547529773127
Energy: 0.9932976375860585
Energy: 0.9781666382906637
Energy: 0.9932976375860585
Energy: 0.8801918082196692
Energy: 1.0753304805559913
Energy: 0.9084904163160678
Energy: 1.0753304805568706
Energy: 0.9746522190030177
Energy: 0.9641700657299884
Energy: 0.9311820566640272
Energy: 0.9641700657308679
Energy: 0.9813715859337963
Energy: 1.0567839002655706
Energy: 0.9233204860505447
Energy: 1.0567839002655706
Energy: 0.9356202518606725
Energy: 1.0567233537818268
Energy: 0.9531296059784353
Energy: 1.0567233537818268
Energy: 0.935683565304624
Energy: 0.9649994552894652
Energy: 0.9357089253665734
Energy: 0.9649994552903448
Energy: 0.9309394453553285
Energy: 1.0760571594003379
Energy: 0.9783795990712797
Energy: 1.0760571594003379
Energy: 0.9750270754481893
Energy: 1.0458584774345208
Energy: 0.9779996716621558
Energy: 1.0458584774345208
Energy: 1.0646811368116118
Energy: 1.0755054430729478
Energy: 0.9705694059886004
Energy: 1.0755054430729478
Energy: 0.9750816954924979
Energy: 1.0458682467686213
Energy: 0.9779076177565111
Energy: 1.0458682467686213
Energy: 0.9426045307283952
Energy: 1.0762497601398762
Energy: 0.9710838644801214
Energy: 1.0762497601398762
Energy: 0.9357284812655368
Energy: 0.9649188837436862
Energy: 0.9314450450866948
Energy: 0.9649188837436862

minimum gb energy = 0.8801918082196692 eV
minimum distance =  2.29149587327205 Angstroms
sigma value = 25


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

Energy: 1.020325572175501
Energy: 1.1262679603460009
Energy: 1.0381966960728206
Energy: 1.1262679603460009
Energy: 1.0408937949790982
Energy: 1.0779451083803544
Energy: 0.9969595044787392
Energy: 1.0779451083803544
Energy: 0.967854274152253
Energy: 1.1567080245393437
Energy: 0.9978592036786623
Energy: 1.1567080245393437
Energy: 0.9983657109051491
Energy: 1.0080237441332445
Energy: 0.973455333915788
Energy: 1.008023744132222
Energy: 0.9725182192850809
Energy: 1.1281114913989998
Energy: 0.959842134509122
Energy: 1.1281114913989998
Energy: 1.0421223607105115
Energy: 1.1553390806295656
Energy: 0.9726993280918352
Energy: 1.1553390806295656
Energy: 0.9989070313322331
Energy: 1.002290191717159
Energy: 0.9962400139829787
Energy: 1.002290191717159
Energy: 1.0718754549497482
Energy: 1.1279035134983142
Energy: 0.9367721814443264
Energy: 1.1279035134983142
Energy: 0.9960657750079509
Energy: 1.0770222989110354
Energy: 0.9989007869891704
Energy: 1.0770222989110354
Energy: 0.9978355528857926
Energy: 1.155841621431165
Energy: 0.9630377776262139
Energy: 1.155841621431165
Energy: 0.9983242157198023
Energy: 1.1266396385198743
Energy: 0.9971940973574643
Energy: 1.1266396385198743
Energy: 0.9754081204152322
Energy: 1.1264229270949175
Energy: 0.9970629763614921
Energy: 1.1264229270949175
Energy: 0.9978400747559572
Energy: 1.0879919206107247
Energy: 0.9650469131214957
Energy: 1.0879919206107247
Energy: 0.99683119047343
Energy: 1.0548860074939135
Energy: 1.0402537729540717
Energy: 1.0548860074939135
Energy: 0.9447828660951042
Energy: 1.1269601411952102
Energy: 0.9345383470247793
Energy: 1.1269601411952102
Energy: 0.9969222912598257
Energy: 1.0041087585024275
Energy: 0.9730073342866304
Energy: 1.00410875850345
Energy: 0.9226459654839363
Energy: 1.1560513980915355
Energy: 0.9219753025146482
Energy: 1.1560513980915355
Energy: 0.9734882516210919
Energy: 1.0856295716270448
Energy: 1.0319067397406874
Energy: 1.0856295716270448
Energy: 0.9610955716152588
Energy: 1.0879694494004752
Energy: 0.9725952891945453
Energy: 1.0879694494004752
Energy: 0.9724383542511529
Energy: 1.1552230948419175
Energy: 1.0000716088338903
Energy: 1.1552230948419175
Energy: 1.0085348573655417
Energy: 1.0731349420883807
Energy: 0.9971797107422979
Energy: 1.0731349420883807
Energy: 1.0181163387969183
Energy: 1.127047019457264
Energy: 1.0388918665323337
Energy: 1.127047019457264
Energy: 0.9985689233533395
Energy: 1.0841684808345016
Energy: 0.9971696635091281
Energy: 1.0841684808345016
Energy: 0.9668184172496123
Energy: 1.1580147477032139
Energy: 0.9978683206429484
Energy: 1.1580147477032139
Energy: 0.9971697174887056
Energy: 1.0076070271462125
Energy: 0.9723361462672839
Energy: 1.0076070271462125

minimum gb energy = 0.9219753025146482 eV
minimum distance =  2.299581940446 Angstroms
sigma value = 9


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

Energy: 1.0775392447672734
Energy: 1.076342587010922
Energy: 1.1317569952845972
Energy: 1.076342587010922
Energy: 1.0426999083345183
Energy: 1.1420861547293426
Energy: 1.0615425116181791
Energy: 1.1420861547293426
Energy: 0.973842285751851
Energy: 1.0689836889134612
Energy: 1.0497356043675925
Energy: 1.0689836889134612
Energy: 1.0658057340239315
Energy: 1.1585217984620881
Energy: 0.9904834927061901
Energy: 1.1585217984620881
Energy: 1.1147245254354672
Energy: 1.1415349942097006
Energy: 1.0645800108753076
Energy: 1.1415349942097006
Energy: 0.9633055036564991
Energy: 1.0674944311580263
Energy: 0.9930609651167212
Energy: 1.0674944311580263
Energy: 1.0627203377330314
Energy: 0.9908516978822139
Energy: 0.9915998833636464
Energy: 0.9908516978822139
Energy: 1.0509716621384941
Energy: 1.0674352533613103
Energy: 0.9836889603549405
Energy: 1.0674352533613103
Energy: 1.0639071088827612
Energy: 1.1418137711375442
Energy: 1.0640088139314374
Energy: 1.1418137711375442
Energy: 1.0688151570024502
Energy: 1.0738730700415802
Energy: 0.9928858894586909
Energy: 1.0738730700415802
Energy: 1.0134379815950652
Energy: 1.1419560829190971
Energy: 1.0495778476017943
Energy: 1.1419560829190971
Energy: 1.0657174283397088
Energy: 1.1064378121476288
Energy: 0.9904498738582792
Energy: 1.1064378121476288
Energy: 0.9629191010707527
Energy: 1.0738387051941836
Energy: 1.050168922742295
Energy: 1.0738387051941836
Energy: 1.0389938559082417
Energy: 1.0670415403735918
Energy: 1.0624910637896603
Energy: 1.0670415403735918
Energy: 0.9629232901107968
Energy: 1.073557037401556
Energy: 1.0508972189066685
Energy: 1.073557037401556
Energy: 1.0657558876785482
Energy: 1.106503059201335
Energy: 0.9904388841277778
Energy: 1.106503059201335
Energy: 1.0133313007038847
Energy: 1.1420635417701324
Energy: 1.0664790456067728
Energy: 1.1420635417701324
Energy: 1.0687272264538692
Energy: 1.0739154449420905
Energy: 0.993060591483033
Energy: 1.0739154449420905
Energy: 1.06406709104379
Energy: 1.1418515384654588
Energy: 1.064007330903939
Energy: 1.1418515384654588
Energy: 1.0509724001735008
Energy: 1.0674387099962348
Energy: 0.9836992223824653
Energy: 1.0674387099962348
Energy: 1.0629013939634278
Energy: 0.9909169460757735
Energy: 0.9913656563759281
Energy: 0.9909169460757735

minimum gb energy = 0.9629191010707527 eV
minimum distance =  2.37691955586453 Angstroms
sigma value = 25


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

Energy: 1.0268335335495065
Energy: 1.2418959840865476
Energy: 1.1654117056649826
Energy: 1.2418959840865476
Energy: 1.010625657883725
Energy: 1.1547184619009556
Energy: 1.001813181710728
Energy: 1.1547184619009556
Energy: 1.0020998870208153
Energy: 1.0999082560131512
Energy: 1.0013996588652074
Energy: 1.0999082560131512
Energy: 1.0253547284900102
Energy: 1.15122436071621
Energy: 1.12305149491513
Energy: 1.15122436071621
Energy: 1.1205180232227734
Energy: 1.0124898186268954
Energy: 1.034935266290925
Energy: 1.0124898186268954
Energy: 1.004642261529594
Energy: 1.1687403198622228
Energy: 1.0025659797143733
Energy: 1.1687403198622228
Energy: 1.0350766399026463
Energy: 1.078579631857261
Energy: 1.001666601671697
Energy: 1.078579631861786
Energy: 1.1086187845463658
Energy: 1.0025030505234733
Energy: 1.0266600949631286
Energy: 1.0025030505234733
Energy: 1.0015438680940714
Energy: 1.151419740486178
Energy: 1.0128224979423595
Energy: 1.151419740486178
Energy: 1.1490714923558758
Energy: 1.0973476991866309
Energy: 1.003397939636478
Energy: 1.0973476991866309
Energy: 1.036040194906562
Energy: 1.1506053248745525
Energy: 1.2251885342640723
Energy: 1.1506053248745525
Energy: 1.001907486347525
Energy: 1.0355645699100222
Energy: 1.1490929363263382
Energy: 1.0355645699100222
Energy: 1.1126718379432146
Energy: 1.038328552734629
Energy: 1.0011819077017974
Energy: 1.038328552734629
Energy: 1.0015323196123571
Energy: 1.1514149926659334
Energy: 1.0253158916667837
Energy: 1.1514149926568835
Energy: 1.0355076537625818
Energy: 1.002452427851822
Energy: 1.1087934193456253
Energy: 1.002452427851822
Energy: 1.0125383066987055
Energy: 1.103814465627643
Energy: 1.0045803438298386
Energy: 1.103814465629151
Energy: 1.001757294720019
Energy: 1.092495760205754
Energy: 1.1478242020511902
Energy: 1.092495760205754

minimum gb energy = 1.0011819077017974 eV
minimum distance =  2.35960130610276 Angstroms
sigma value = 17


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

Energy: 1.123943861407042
Energy: 1.123414021676781
Energy: 1.2556806517592312
Energy: 1.123414021676781
Energy: 1.1692361742491937
Energy: 1.0986649399045134
Energy: 1.028420079269872
Energy: 1.0986649399045134
Energy: 1.1465444183821731
Energy: 1.1200632991062565
Energy: 1.0277770634658183
Energy: 1.1200632991062565
Energy: 1.0287748242298882
Energy: 1.1236757368642445
Energy: 1.10109466170382
Energy: 1.1236757368642445
Energy: 1.1705777326287679
Energy: 1.11377000611095
Energy: 1.0498726822582622
Energy: 1.1137700061118039
Energy: 1.0381679322423607
Energy: 1.066108726974256
Energy: 1.1462653589481746
Energy: 1.066108726974256
Energy: 1.0318739242632509
Energy: 1.1396695320738115
Energy: 1.0279807283379507
Energy: 1.1396695320738115
Energy: 1.1464763736167385
Energy: 1.152147869686534
Energy: 1.0435552506047259
Energy: 1.152147869686534
Energy: 1.039437486388358
Energy: 1.2243794539130484
Energy: 1.1663735648866789
Energy: 1.2243794539130484
Energy: 1.2359554789348555
Energy: 1.0964608510328615
Energy: 1.0292013007854022
Energy: 1.0964608510328615
Energy: 1.030782405015588
Energy: 1.1494110332420033
Energy: 1.150421482371674
Energy: 1.1494110332420033
Energy: 1.0379803173904687
Energy: 1.1348272567685234
Energy: 1.0368005209896018
Energy: 1.1348272567685234
Energy: 1.1673544000068863
Energy: 1.0381083109695772
Energy: 1.1162597191883026
Energy: 1.038108310968723
Energy: 1.03525149591549
Energy: 1.2347879055323865
Energy: 1.15644133430144
Energy: 1.2347879055323865
Energy: 1.109932049387303
Energy: 1.1412247063052496
Energy: 1.039507435185254
Energy: 1.1412247063043954
Energy: 1.1472225278115913
Energy: 1.1516697264847775
Energy: 1.1471200113710405
Energy: 1.1516697264847775
Energy: 1.0281995779488808
Energy: 1.131275598973206
Energy: 1.2492401036435974
Energy: 1.131275598973206
Energy: 1.1415674713195765
Energy: 1.118766982467143
Energy: 1.0380123843236078
Energy: 1.118766982467143
Energy: 1.0282549062011306
Energy: 1.1447533645826657
Energy: 1.09640421614566
Energy: 1.1447533645826657
Energy: 1.0281306463197475
Energy: 1.1328080862299668
Energy: 1.0291995582051452
Energy: 1.1328080862299668
Energy: 1.0872331558012789
Energy: 1.120449578373859
Energy: 1.1462583264687698
Energy: 1.120449578373859
Energy: 1.028002660231668
Energy: 1.2016658204983042
Energy: 1.2361022141728826
Energy: 1.20166582049745
Energy: 1.160846600858189
Energy: 1.1548689901021847
Energy: 1.027586823561223
Energy: 1.1548689901021847
Energy: 1.0360636855517529
Energy: 1.1412302865936759
Energy: 1.16109655280865
Energy: 1.1412302865936759
Energy: 1.0361378813948756
Energy: 1.1514454974369455
Energy: 1.161266658956295
Energy: 1.1514454974369455
Energy: 1.1628025812182727
Energy: 1.155164881814497
Energy: 1.028381030218616
Energy: 1.155164881814497
Energy: 1.0497869738805716
Energy: 1.175346344838489
Energy: 1.2587710807087396
Energy: 1.175346344836781
Energy: 1.1459725969958237
Energy: 1.065539331785399
Energy: 1.1475797185824173
Energy: 1.0655393317862534
Energy: 1.231916118505497
Energy: 1.2299705021872827
Energy: 1.0318363594431201
Energy: 1.2299705021872827
Energy: 1.0431813185271663
Energy: 1.1730283279083271
Energy: 1.1434990406568681
Energy: 1.1730283279083271

minimum gb energy = 1.027586823561223 eV
minimum distance =  2.26825242100596 Angstroms
sigma value = 53


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

Energy: 1.10687926735086
Energy: 1.1035380631966363
Energy: 1.3075216854081053
Energy: 1.1035380631966363
Energy: 1.1830351746300392
Energy: 1.1456501681922455
Energy: 1.095132656047769
Energy: 1.1456501681922455
Energy: 0.979996941924574
Energy: 0.9781906142068442
Energy: 1.0934721261270055
Energy: 0.9781906142068442
Energy: 0.9795307345978903
Energy: 0.9789390133060896
Energy: 1.0963295715690733
Energy: 0.9789390133060896
Energy: 1.2661217711716302
Energy: 1.0950414708082852
Energy: 1.0967562252357699
Energy: 1.0950414708082852
Energy: 0.978979742976171
Energy: 0.9786550371677535
Energy: 1.3075216859958625
Energy: 0.9786550371657868
Energy: 1.090101717553904
Energy: 1.1456501681922455
Energy: 1.095132656047769
Energy: 1.1456501681922455
Energy: 0.979996941924574
Energy: 0.9781906142068442
Energy: 1.1089193090175782
Energy: 0.9781906142068442
Energy: 0.9795307345978903
Energy: 0.9789390133060896
Energy: 0.9937746394587649
Energy: 0.9789390133060896
Energy: 1.2661217711696635
Energy: 1.0639984578395687
Energy: 1.1398884707207386
Energy: 1.0639984578395687
Energy: 1.10687926735086
Energy: 1.1035380631966363
Energy: 1.3075216854041722
Energy: 1.1035380631966363
Energy: 1.1830351746300392
Energy: 1.1456501681922455
Energy: 1.084237104075029
Energy: 1.1456501681922455
Energy: 0.979996941924574
Energy: 0.9781906142068442
Energy: 1.1089193090175782
Energy: 0.9781906142068442

minimum gb energy = 0.9781906142068442 eV
minimum distance =  2.33564946083293 Angstroms
sigma value = 9


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

Energy: 1.0737592182050468
Energy: 1.2155591388820361
Energy: 1.361791799326709
Energy: 1.2155591388820361
Energy: 1.2154564927215417
Energy: 1.1250622590037807
Energy: 1.071089519143217
Energy: 1.1250622590037807
Energy: 1.067633746765077
Energy: 1.064520468989473
Energy: 1.0711085901864017
Energy: 1.064520468989473
Energy: 1.185353775085282
Energy: 1.2552394689111634
Energy: 1.0720354255845532
Energy: 1.2552394689118913
Energy: 1.2047507204765864
Energy: 1.121862282000707
Energy: 1.069809299752538
Energy: 1.121862282000707
Energy: 1.063725312240928
Energy: 1.063945448113496
Energy: 1.1981704512210418
Energy: 1.063945448112768
Energy: 1.360657131225574
Energy: 1.1185770173767848
Energy: 1.0717272680627306
Energy: 1.1185770173767848
Energy: 1.0714740176884594
Energy: 1.1441931269732317
Energy: 1.197520322050729
Energy: 1.1441931269725036
Energy: 1.069049211984172
Energy: 1.1521792826339152
Energy: 1.0677941752950824
Energy: 1.1521792826339152
Energy: 1.0675459602299362
Energy: 1.120222227453546
Energy: 1.071826867364474
Energy: 1.120222227453546
Energy: 1.0718600366356998
Energy: 1.144982085573335
Energy: 1.3544916437006402
Energy: 1.144982085573335
Energy: 1.2104252074062594
Energy: 1.2128174850600635
Energy: 1.0712818363292627
Energy: 1.2128174850600635
Energy: 1.06896763774996
Energy: 1.14031051024632
Energy: 1.2739689053375736
Energy: 1.1403105102455922
Energy: 1.1881381287870572
Energy: 1.1921277016316236
Energy: 1.0755288170435355
Energy: 1.1921277016316236
Energy: 1.0735570892864668
Energy: 1.1958758453408513
Energy: 1.1900700972300708
Energy: 1.1958758453408513
Energy: 1.0707529112029184
Energy: 1.2638908055827702
Energy: 1.191387273831185
Energy: 1.2638908055827702
Energy: 1.1313815021566163
Energy: 1.1966976891061394
Energy: 1.0731835643426044
Energy: 1.1966976891054115
Energy: 1.0733251849034966
Energy: 1.1189103851693454
Energy: 1.2021193309399012
Energy: 1.118910385170073
Energy: 1.195508704720324
Energy: 1.1419542372391727
Energy: 1.0642852686723523
Energy: 1.1419542372391727
Energy: 1.0687864118563988
Energy: 1.1308557136945807
Energy: 1.1392337778825727
Energy: 1.1308557136945807
Energy: 1.193613474322772
Energy: 1.2557555559783327
Energy: 1.187121863196106
Energy: 1.2557555559783327
Energy: 1.1427933058395428
Energy: 1.1892586210798046
Energy: 1.0687167131716433
Energy: 1.1892586210798046
Energy: 1.0678582659024274
Energy: 1.199559024734222
Energy: 1.0707469415536623
Energy: 1.199559024734222
Energy: 1.3654696332502316
Energy: 1.1404921245456106
Energy: 1.0708358592681853
Energy: 1.1404921245456106
Energy: 1.0716399992424113
Energy: 1.224569415681102
Energy: 1.3050683795037845
Energy: 1.224569415681102
Energy: 1.1358146100094022
Energy: 1.064090795227557
Energy: 1.0676875449365173
Energy: 1.064090795227557
Energy: 1.1378376712271179
Energy: 1.1976746786004577
Energy: 1.1850496740089203
Energy: 1.1976746786004577
Energy: 1.079548060021687
Energy: 1.2948099884896167
Energy: 1.1852846207834717
Energy: 1.2948099884896167
Energy: 1.1362740615314273
Energy: 1.0636937592863724
Energy: 1.0675032250926233
Energy: 1.0636937592863724
Energy: 1.0713787329161917
Energy: 1.2249657787139174
Energy: 1.3034981830293708
Energy: 1.2249657787139174
Energy: 1.292466457130283
Energy: 1.1404520650383385
Energy: 1.0704780997502887
Energy: 1.1404520650383385
Energy: 1.0701229213636656
Energy: 1.1195720675615775
Energy: 1.068722903688662
Energy: 1.1195720675615775
Energy: 1.0717710073459703
Energy: 1.1901662425128532
Energy: 1.0680096820258984
Energy: 1.1901662425128532
Energy: 1.1944681522088776
Energy: 1.274356179078341
Energy: 1.1853769725677494
Energy: 1.274356179078341
Energy: 1.0695313324286715
Energy: 1.2291984754445842
Energy: 1.3602579917472217
Energy: 1.2291984754445842

minimum gb energy = 1.0636937592863724 eV
minimum distance =  2.29167082405881 Angstroms
sigma value = 73


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

Energy: 1.141134775671845
Energy: 1.1386216183775244
Energy: 1.3464315041710955
Energy: 1.1386216183775244
Energy: 1.1460227538732177
Energy: 1.1568482805938431
Energy: 1.0704566844858485
Energy: 1.1568482805938431
Energy: 1.0800853549702216
Energy: 1.0676825316988845
Energy: 1.0719780353838961
Energy: 1.0676825316988845
Energy: 1.0734368340604346
Energy: 1.079673191369092
Energy: 1.0804322030036144
Energy: 1.079673191369092
Energy: 1.131425914478545
Energy: 1.158111101229983
Energy: 1.0863171489200596
Energy: 1.158111101229983
Energy: 1.0856125557099507
Energy: 1.0729092569881975
Energy: 1.2713592757460392
Energy: 1.0729092569881975
Energy: 1.3486021570375863
Energy: 1.2193938855946171
Energy: 1.0810432231290388
Energy: 1.2193938855946171
Energy: 1.0727432314243246
Energy: 1.0658554758589216
Energy: 1.2740200480157975
Energy: 1.0658554758600765
Energy: 1.3176027105869395
Energy: 1.0662048588351123
Energy: 1.067544381180162
Energy: 1.0662048588351123
Energy: 1.0793397073510371
Energy: 1.1544858490805627
Energy: 1.0745636483026941
Energy: 1.1544858490805627
Energy: 1.0705577880540231
Energy: 1.0656276552417077
Energy: 1.2629327824121752
Energy: 1.0656276552417077
Energy: 1.1961584625798263
Energy: 1.0795377262179289
Energy: 1.0735094005584256
Energy: 1.0795377262179289
Energy: 1.0807795543138503
Energy: 1.143036343984993
Energy: 1.2628097766760842
Energy: 1.143036343984993
Energy: 1.298920104344579
Energy: 1.2076910994569008
Energy: 1.088976148348658
Energy: 1.2076910994569008
Energy: 1.0652485422899263
Energy: 1.2317381558303309
Energy: 1.2553161551831153
Energy: 1.2317381558303309
Energy: 1.264202659174077
Energy: 1.0654533840440006
Energy: 1.0746303898373573
Energy: 1.0654533840440006
Energy: 1.1393894624613154
Energy: 1.136602071518789
Energy: 1.0800986184057808
Energy: 1.136602071518789
Energy: 1.1386892923191054
Energy: 1.137086871235537
Energy: 1.0824443658595695
Energy: 1.137086871235537
Energy: 1.0682213070510274
Energy: 1.0662851796029824
Energy: 1.0742434144359245
Energy: 1.0662851796029824
Energy: 1.071062202173753
Energy: 1.161932533270957
Energy: 1.2976508363148689
Energy: 1.161932533270957
Energy: 1.2961960356979478
Energy: 1.072011537305875
Energy: 1.086298612478726
Energy: 1.072011537305875
Energy: 1.080101475072002
Energy: 1.1556895473932332
Energy: 1.2013971116964828
Energy: 1.1556895473932332

minimum gb energy = 1.0652485422899263 eV
minimum distance =  2.29893949260949 Angstroms
sigma value = 7


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

Energy: 1.0928458194165924
Energy: 1.092231645078636
Energy: 1.3473552200865881
Energy: 1.0922316450794525
Energy: 1.197002260944715
Energy: 1.1083076655286768
Energy: 1.073431093170469
Energy: 1.1083076655286768
Energy: 1.0745893370427626
Energy: 1.0917020463556
Energy: 1.0906970520577042
Energy: 1.0917020463547833
Energy: 1.1101307155346498
Energy: 1.157744797465364
Energy: 1.0734260514604332
Energy: 1.157744797465364
Energy: 1.0734957317133955
Energy: 1.1409513242053742
Energy: 1.0926885541159408
Energy: 1.1409513242053742
Energy: 1.0727503939139165
Energy: 1.0925954033644585
Energy: 1.293467290081118
Energy: 1.092595403365275
Energy: 1.1983961439843283
Energy: 1.1921478189398915
Energy: 1.100508370518003
Energy: 1.1921478189398915
Energy: 1.0728159378053845
Energy: 1.0928819589421042
Energy: 1.324460170496183
Energy: 1.0928819589412877
Energy: 1.2109151554414483
Energy: 1.1481036006424497
Energy: 1.0806681157564393
Energy: 1.1481036006424497
Energy: 1.0692862776780108
Energy: 1.1659744972348565
Energy: 1.1856182411480443
Energy: 1.1659744972340398
Energy: 1.0995052717641467
Energy: 1.093927925469933
Energy: 1.1062332929614869
Energy: 1.093927925469933
Energy: 1.1044140161333043
Energy: 1.1413989672902172
Energy: 1.1106152925167128
Energy: 1.1413989672894007
Energy: 1.0967747703509416
Energy: 1.0936938040389308
Energy: 1.1092584122862377
Energy: 1.0936938040389308
Energy: 1.092391424181957
Energy: 1.088610979543418
Energy: 1.1046786981122594
Energy: 1.088610979543418
Energy: 1.0672628294035538
Energy: 1.2540613636649276
Energy: 1.2098102105706054
Energy: 1.2540613636649276
Energy: 1.3827417591732065
Energy: 1.0883952084687303
Energy: 1.0821805072267832
Energy: 1.0883952084687303
Energy: 1.066891836340048
Energy: 1.1407290066957105
Energy: 1.1375556828145064
Energy: 1.1407290066957105
Energy: 1.0846832142723921
Energy: 1.2439619165075908
Energy: 1.1088441383815038
Energy: 1.2439619165075908
Energy: 1.0671069001516025
Energy: 1.0923487156853493
Energy: 1.1094342692411885
Energy: 1.0923487156853493
Energy: 1.0686701653743926
Energy: 1.143564557453649
Energy: 1.1076002118510666
Energy: 1.143564557453649
Energy: 1.099751578090142
Energy: 1.2412234824015917
Energy: 1.080769139533816
Energy: 1.2412234824015917
Energy: 1.0690133100118313
Energy: 1.0918053808901926
Energy: 1.188277457389196
Energy: 1.0918053808901926
Energy: 1.3020921897486837
Energy: 1.148355106713198
Energy: 1.1001462536952844
Energy: 1.148355106713198
Energy: 1.0929658827329043
Energy: 1.0922467031521452
Energy: 1.2950664779298924
Energy: 1.0922467031521452
Energy: 1.0955714366889797
Energy: 1.1438579726045481
Energy: 1.1055548616718318
Energy: 1.1438579726045481
Energy: 1.1097369269457624
Energy: 1.0920475930402063
Energy: 1.0934975660229533
Energy: 1.0920475930402063
Energy: 1.074331543635404
Energy: 1.160806771839105
Energy: 1.192115565604869
Energy: 1.160806771839922
Energy: 1.1173839278524318
Energy: 1.1404877338912298
Energy: 1.0732874569473414
Energy: 1.1404877338912298
Energy: 1.075813163074608
Energy: 1.0933707846084417
Energy: 1.2220272707681232
Energy: 1.0933707846084417
Energy: 1.0927287113795556
Energy: 1.1029841600767096
Energy: 1.0733332073363437
Energy: 1.1029841600767096
Energy: 1.0758158205804684
Energy: 1.0930806685918675
Energy: 1.2593035446858305
Energy: 1.0930806685918675

minimum gb energy = 1.066891836340048 eV
minimum distance =  2.27873920379083 Angstroms
sigma value = 29


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

Energy: 1.0463098864240936
Energy: 1.0393070776164883
Energy: 1.0131675135023104
Energy: 1.0393070776164883
Energy: 1.0126882647530715
Energy: 1.048672111643369
Energy: 1.0454723829279742
Energy: 1.0486721116430846
Energy: 1.0166006807491081
Energy: 1.0963497951859245
Energy: 1.1409113289171147
Energy: 1.0963497951859245
Energy: 1.0474063402276352
Energy: 1.0151508159782219
Energy: 1.0494110545809139
Energy: 1.0151508159782219
Energy: 1.0465118872591592
Energy: 1.0779332065732894
Energy: 1.1407754302977677
Energy: 1.077933206573005
Energy: 1.0458443357099012
Energy: 1.0968555463144312
Energy: 1.0459122903042632
Energy: 1.0968555463147156
Energy: 1.0162156333278136
Energy: 1.078021441521205
Energy: 1.0465376556366024
Energy: 1.078021441521205
Energy: 1.0476437081855996
Energy: 1.015047941293634
Energy: 1.04734940680596
Energy: 1.015047941293634
Energy: 1.141029895217527
Energy: 1.0962744783178902
Energy: 1.0608647705050154
Energy: 1.0962744783178902

minimum gb energy = 1.0126882647530715 eV
minimum distance =  2.33157667649671 Angstroms
sigma value = 5


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

Energy: 1.033933833136409
Energy: 1.0320279002274555
Energy: 1.195208635554335
Energy: 1.0320279002274555
Energy: 1.1723053214261974
Energy: 1.083852193598376
Energy: 0.9861240323562347
Energy: 1.083852193598376
Energy: 0.9965203018650955
Energy: 1.0257102371860425
Energy: 1.1795666216943774
Energy: 1.0257102371860425
Energy: 1.0126801024781307
Energy: 1.0759802618805627
Energy: 1.0107854376200176
Energy: 1.0759802618805627
Energy: 1.0082675389281655
Energy: 1.0825395221136793
Energy: 1.1789150279968206
Energy: 1.082539522112908
Energy: 1.0198479749889033
Energy: 1.0342386745401804
Energy: 1.0000259764264032
Energy: 1.0342386745401804
Energy: 1.0072645450760453
Energy: 1.0879842992303743
Energy: 0.9982191983876874
Energy: 1.0879842992303743
Energy: 1.0055020699980415
Energy: 1.0360354907011273
Energy: 0.9940324736387494
Energy: 1.0360354907011273
Energy: 1.0111707094925575
Energy: 1.1590051392880332
Energy: 1.0068375228351354
Energy: 1.1590051392888048
Energy: 1.0172602246606228
Energy: 1.0808920814607614
Energy: 1.03068181221386
Energy: 1.0808920814607614
Energy: 0.9913045585614751
Energy: 1.0359567116002972
Energy: 0.9950137450227712
Energy: 1.0359567116002972
Energy: 1.0007915742222027
Energy: 1.0409331971733145
Energy: 1.118494860190451
Energy: 1.0409331971733145
Energy: 1.0298387220570748
Energy: 1.0333062667087027
Energy: 1.0342969684028078
Energy: 1.0333062667087027
Energy: 1.0034392584903304
Energy: 1.0334829756418098
Energy: 1.0524659167986268
Energy: 1.0334829756418098
Energy: 1.0991226591637893
Energy: 1.0778404956845742
Energy: 0.994452998046954
Energy: 1.0778404956845742
Energy: 1.0133518641663164
Energy: 1.0190308982411571
Energy: 1.133594946669354
Energy: 1.0190308982396143
Energy: 1.1835982142318435
Energy: 1.083403264020599
Energy: 0.9969015020485529
Energy: 1.083403264020599
Energy: 1.005811326412222
Energy: 1.0332480895090024
Energy: 1.0906424411763818
Energy: 1.0332480895090024
Energy: 1.008803046204266
Energy: 1.0891306270563146
Energy: 1.0022760126270056
Energy: 1.0891306270563146
Energy: 0.9934563472422602
Energy: 1.0758066626952674
Energy: 1.0217770844224559
Energy: 1.0758066626952674
Energy: 0.9875686962634957
Energy: 1.0344137719786626
Energy: 1.013036734291307
Energy: 1.0344137719786626
Energy: 1.0133526452195936
Energy: 1.0797977319071395
Energy: 1.0085782617873442
Energy: 1.0797977319071395
Energy: 0.9890706544905828
Energy: 1.035171480650872
Energy: 0.9877722473870856
Energy: 1.035171480650872
Energy: 1.1149804286665295
Energy: 1.0346412015209774
Energy: 0.9933742608161252
Energy: 1.0346412015209774
Energy: 1.1219434334881595
Energy: 1.019998868307573
Energy: 0.9951802683296689
Energy: 1.019998868307573
Energy: 1.021693814194141
Energy: 1.0335816189402036
Energy: 1.0033153342333685
Energy: 1.0335816189402036
Energy: 0.9901631944304735
Energy: 1.069686101056457
Energy: 1.0913757231608299
Energy: 1.069686101056457
Energy: 1.031467619423128
Energy: 1.0592268304008565
Energy: 1.0118501863529705
Energy: 1.0592268304008565
Energy: 0.9931436445759734
Energy: 1.0794268142001084
Energy: 1.1113768181009263
Energy: 1.0794268142008798
Energy: 1.1833719211195335
Energy: 1.0328929006182337
Energy: 1.0090375586606266
Energy: 1.0328929006182337
Energy: 0.9933896653731487
Energy: 1.0223684335039398
Energy: 1.1101718686285806
Energy: 1.0223684335039398
Energy: 1.179867730354742
Energy: 1.0581896117370353
Energy: 0.9984852954150476
Energy: 1.0581896117370353
Energy: 1.0164689042271906
Energy: 1.0363962427012148
Energy: 0.9892863849566919
Energy: 1.036396242701986

minimum gb energy = 0.9861240323562347 eV
minimum distance =  2.27972680421112 Angstroms
sigma value = 1


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

Energy: 0.989489249435622
Energy: 0.9886494386472977
Energy: 1.1683441648212345
Energy: 0.9886494386472977
Energy: 1.01330481840139
Energy: 1.005587279416881
Energy: 0.9623705447190916
Energy: 1.005587279416881
Energy: 0.9407760421923668
Energy: 0.9889328915768296
Energy: 1.289960419760521
Energy: 0.9889328915768296
Energy: 1.0019986759017647
Energy: 1.0506789719476082
Energy: 0.9539212889956475
Energy: 1.0506789719476082
Energy: 0.9404805524363057
Energy: 1.0816533365591081
Energy: 0.9651130064867606
Energy: 1.0816533365591081
Energy: 0.9379572549388661
Energy: 0.9927952749669426
Energy: 0.9538297374625555
Energy: 0.9927952749669426
Energy: 0.9407022963356988
Energy: 1.082813270854053
Energy: 0.9882657663155784
Energy: 1.082813270854053
Energy: 0.9407421125508143
Energy: 0.9924660153938133
Energy: 1.0062924433953424
Energy: 0.9924660153938133
Energy: 0.9884820517158933
Energy: 0.9858694532062593
Energy: 0.9694903118362509
Energy: 0.9858694532062593
Energy: 0.9885180686134031
Energy: 0.9858693947708554
Energy: 0.9886621519722675
Energy: 0.985869394769789
Energy: 0.9407459240377753
Energy: 0.9926959543026138
Energy: 0.9693100064480605
Energy: 0.9926959543026138
Energy: 0.9405141697795021
Energy: 1.0827590111803287
Energy: 1.0126804102396985
Energy: 1.0827590111803287
Energy: 0.9381763530339308
Energy: 0.9926814249483362
Energy: 0.9537246946024627
Energy: 0.9926814249483362
Energy: 0.9404845723645465
Energy: 1.081765871679212
Energy: 1.106943983712462
Energy: 1.081765871679212
Energy: 1.0012852979602238
Energy: 1.0509050970176586
Energy: 0.9538592203051648
Energy: 1.0509050970176586
Energy: 0.9407723101693775
Energy: 0.9888686072309388
Energy: 1.0350485765546997
Energy: 0.9888686072309388
Energy: 1.0133778139484146
Energy: 1.0055974848642888
Energy: 0.9624026539185161
Energy: 1.0055974848642888
Energy: 0.989489249435622
Energy: 0.9886494386472977
Energy: 1.001055340147128
Energy: 0.9886494386472977
Energy: 1.01330481840139
Energy: 1.005587279416881
Energy: 0.9623705447190916
Energy: 1.005587279416881
Energy: 0.9407760421923668
Energy: 0.9889328915768296
Energy: 1.2899604197615875
Energy: 0.9889328915768296
Energy: 1.0019986759006982
Energy: 1.0506789719476082
Energy: 0.9539212889956475
Energy: 1.0506789719476082
Energy: 0.9404805524363057
Energy: 1.0816533365591081
Energy: 0.9651130078566844
Energy: 1.0816533365591081
Energy: 0.9379572549388661
Energy: 0.9927952749680091
Energy: 0.9538297374625555
Energy: 0.9927952749680091
Energy: 0.9407022963356988
Energy: 1.082813270854053
Energy: 0.9882657663155784
Energy: 1.082813270854053

minimum gb energy = 0.9379572549388661 eV
minimum distance =  2.29764771628432 Angstroms
sigma value = 17


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

Energy: 0.9793901045417546
Energy: 0.9787624083605677
Energy: 1.1697161819171877
Energy: 0.9787624083605677
Energy: 1.1417542935878016
Energy: 0.9668933126007422
Energy: 0.9500763945457916
Energy: 0.9668933126000829
Energy: 0.9471623233287934
Energy: 0.9675245264648146
Energy: 1.1677024528801614
Energy: 0.9675245264654737
Energy: 0.9823432329723457
Energy: 0.9418870115753363
Energy: 0.9458601867619033
Energy: 0.9418870115753363
Energy: 0.9408651894160246
Energy: 1.04129840663801
Energy: 0.9895316413838833
Energy: 1.04129840663801
Energy: 0.9383534895975542
Energy: 0.9542280584417169
Energy: 0.958784340029113
Energy: 0.9542280584430354
Energy: 0.9534133917780405
Energy: 1.0257316354602901
Energy: 0.9677096372278579
Energy: 1.0257316354602901
Energy: 0.9374392522100978
Energy: 1.1408927525350883
Energy: 0.9462129189222626
Energy: 1.1408927525350883
Energy: 0.9781201185524304
Energy: 1.1387516440892937
Energy: 0.9722987301528323
Energy: 1.1387516440892937
Energy: 0.9805156727160173
Energy: 1.014017608116036
Energy: 0.950021329941343
Energy: 1.0140176081173542
Energy: 0.9466841074359226
Energy: 1.121405133089305
Energy: 0.9438702634769419
Energy: 1.121405133089305
Energy: 0.9505320070437069
Energy: 1.019586196385939
Energy: 0.9543654987265233
Energy: 1.019586196385939
Energy: 0.9366499154243716
Energy: 1.007567744879462
Energy: 0.9537490238752767
Energy: 1.007567744879462
Energy: 0.9500097531164943
Energy: 1.0401786644267943
Energy: 0.9785641865573809
Energy: 1.0401786644267943
Energy: 0.9470151410055967
Energy: 1.1196691572051152
Energy: 0.9872683912363964
Energy: 1.1196691572051152
Energy: 0.9467308546648766
Energy: 0.9687831918661062
Energy: 0.9770900287410285
Energy: 0.9687831918667655
Energy: 0.9626543261702778
Energy: 1.1180786524861903
Energy: 0.9534655601494775
Energy: 1.1180786524861903
Energy: 0.9419176939805218
Energy: 0.9792550991363174
Energy: 0.9559503222568211
Energy: 0.9792550991356582
Energy: 1.1115838414042343
Energy: 1.1575860458790397
Energy: 0.9464540875471552
Energy: 1.1575860458790397
Energy: 0.9548071183228897
Energy: 0.968340691277425
Energy: 0.9955354622890086
Energy: 0.968340691277425
Energy: 0.9612450653121888
Energy: 0.9595668690619886
Energy: 0.9424568909531796
Energy: 0.9595668690619886
Energy: 0.9421434609408569
Energy: 0.9796763949865025
Energy: 1.0252768252771205
Energy: 0.9796763949865025
Energy: 0.9719037837041669
Energy: 0.9546716704304828
Energy: 0.9561874301459355
Energy: 0.954671670431142
Energy: 0.9465113961317065
Energy: 1.0273832043911548
Energy: 1.1064429015747514
Energy: 1.0273832043911548
Energy: 0.9662617212191063
Energy: 0.980087091161219
Energy: 0.9434772454379414
Energy: 0.980087091161219
Energy: 0.9543512632396882
Energy: 1.0425834829731184
Energy: 0.9592448407011741
Energy: 1.0425834829731184
Energy: 1.0954137000401627
Energy: 1.0084333316183394
Energy: 0.9482075842409279
Energy: 1.0084333316176803
Energy: 0.9912053759813377
Energy: 1.1225659635218346
Energy: 0.9456841507615156
Energy: 1.1225659635218346
Energy: 0.9951433132335069
Energy: 1.039685303248034
Energy: 0.9418891439444185
Energy: 1.039685303248034
Energy: 0.9547618086934684
Energy: 1.0086728012696478
Energy: 0.9885245864779875
Energy: 1.0086728012689885
Energy: 0.9449511847698211
Energy: 1.039871104360442
Energy: 0.9523719723283058
Energy: 1.039871104360442
Energy: 0.9461411297741611
Energy: 1.120149251056169
Energy: 0.9436845789762113
Energy: 1.120149251056169
Energy: 0.9481546045813938
Energy: 1.0157020415622517
Energy: 1.114645781260931
Energy: 1.0157020415622517
Energy: 0.9943913976282385
Energy: 1.1375365428361057
Energy: 0.9572664473000417
Energy: 1.1375365428361057
Energy: 0.9428629179415668
Energy: 0.9804564922255742
Energy: 0.9764938571401197
Energy: 0.9804564922255742
Energy: 0.9769864310935413
Energy: 1.0271433174977354
Energy: 0.952437739101703
Energy: 1.0271433174977354
Energy: 0.9563797567089718
Energy: 0.9546785504428646
Energy: 0.9410294072397964
Energy: 0.9546785504435239
Energy: 0.9757331468011311
Energy: 1.0428126223773493
Energy: 0.9560308866621319
Energy: 1.0428126223766903

minimum gb energy = 0.9366499154243716 eV
minimum distance =  2.28777151496965 Angstroms
sigma value = 89


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

Energy: 0.8680710621381608
Energy: 0.8677688908149588
Energy: 0.9133253228698596
Energy: 0.8677688908149588
Energy: 0.8787441949707677
Energy: 0.8957407885948013
Energy: 0.8799990388575274
Energy: 0.8957407885948013
Energy: 0.8779697194217667
Energy: 1.0257993966896046
Energy: 1.4172754001288463
Energy: 1.0257993966896046
Energy: 0.8668832666113495
Energy: 0.8957131139561719
Energy: 0.8797089785027351
Energy: 0.8957131139561719
Energy: 0.8793139085608689
Energy: 0.9584805550685109
Energy: 0.9332604045410168
Energy: 0.9584805550685109
Energy: 0.8774523824441801
Energy: 0.8690675371866796
Energy: 0.8727969597621753
Energy: 0.8690675371866796
Energy: 0.8782866954649413
Energy: 1.025552120631674
Energy: 0.8678430071311917
Energy: 1.025552120631674
Energy: 0.8777773871342887
Energy: 1.1464770407064542
Energy: 0.8798944275942483
Energy: 1.1464770407047293
Energy: 0.8791169467986546
Energy: 0.9590189195035287
Energy: 0.8906017687640123
Energy: 0.9590189195035287
Energy: 0.8964740359704679
Energy: 0.8683390989796533
Energy: 0.8774186930711376
Energy: 0.8683390989813782
Energy: 0.8676983500850901
Energy: 0.8968958791045355
Energy: 0.8777247538429823
Energy: 0.8968958791045355
Energy: 0.8675625462728295
Energy: 1.0264483302411087
Energy: 0.8797438582747238
Energy: 1.0264483302411087
Energy: 0.8773295673008047
Energy: 0.8710321254411799
Energy: 0.865705880776646
Energy: 0.8710321254411799
Energy: 0.8685802959634471
Energy: 0.9563361914109602
Energy: 0.8689103974011785
Energy: 0.9563361914109602
Energy: 0.8756633087949821
Energy: 0.870887910333183
Energy: 0.8776814721991331
Energy: 0.870887910333183

minimum gb energy = 0.865705880776646 eV
minimum distance =  2.31302057057513 Angstroms
sigma value = 13


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

Energy: 0.8613967145800733
Energy: 0.8310710581284222
Energy: 0.840008398636428
Energy: 0.8310710581291453
Energy: 0.9920252416121534
Energy: 0.9922802312607142
Energy: 0.8262848031959673
Energy: 0.9922802312607142
Energy: 0.8321583577744077
Energy: 0.8315915507497924
Energy: 0.9902114519538348
Energy: 0.8315915507497924
Energy: 0.8362093397103127
Energy: 0.9925283090776119
Energy: 0.8216614489832834
Energy: 0.9925283090768889
Energy: 0.8414667472897253
Energy: 0.8981293458882822
Energy: 0.871526172727177
Energy: 0.8981293458882822
Energy: 0.8207955652627247
Energy: 0.8516933523481371
Energy: 0.841835924686691
Energy: 0.8516933523481371
Energy: 0.8414841664327531
Energy: 0.8993520649470153
Energy: 0.9295951476563306
Energy: 0.8993520649477381
Energy: 0.8244304652753799
Energy: 0.9915747934540241
Energy: 0.8420951230440711
Energy: 0.9915747934547472
Energy: 0.8414865194735816
Energy: 0.8996439737884834
Energy: 1.0479621037509073
Energy: 0.8996439737892064
Energy: 0.983653701942123
Energy: 1.0513325955148596
Energy: 0.8218641103054678
Energy: 1.0513325955148596
Energy: 0.841313818760834
Energy: 0.9166350946094222
Energy: 0.8333301208897061
Energy: 0.9166350946094222
Energy: 0.8602074546226337
Energy: 1.0512802842751388
Energy: 0.8198394462287774
Energy: 1.0512802842751388
Energy: 0.8701126716652892
Energy: 0.8453468391201476
Energy: 0.8300982716982424
Energy: 0.8453468391201476
Energy: 1.1315287047500844
Energy: 0.9162252999608288
Energy: 0.8203213085331523
Energy: 0.9162252999608288
Energy: 0.8412706935812448
Energy: 0.8313580850477735
Energy: 0.8295224016499292
Energy: 0.8313580850484965
Energy: 0.8273848673553658
Energy: 0.9165417121299314
Energy: 0.8228519247477838
Energy: 0.9165417121306545
Energy: 0.8376760841195937
Energy: 0.8927030430824974
Energy: 0.8236153026181838
Energy: 0.8927030430832205
Energy: 0.8391468117035734
Energy: 0.8967567843878346
Energy: 0.8512164507569117
Energy: 0.8967567843878346
Energy: 0.8380762414399184
Energy: 0.846507083082221
Energy: 0.8513242153872117
Energy: 0.846507083082221
Energy: 0.8374854288555
Energy: 0.846511848791643
Energy: 0.8511352595622442
Energy: 0.846511848791643
Energy: 0.8382666506454716
Energy: 0.896739617399403
Energy: 0.8513886662111504
Energy: 0.896739617399403
Energy: 0.8376460413550352
Energy: 0.8926679997718222
Energy: 0.8234544002695088
Energy: 0.8926679997718222
Energy: 0.8273329262901827
Energy: 0.9161712758056458
Energy: 0.8229514824731845
Energy: 0.9161712758056458
Energy: 0.8418936974398118
Energy: 0.8314272906853397
Energy: 0.8258184602475143
Energy: 0.8314272906889546
Energy: 1.1314990153163524
Energy: 0.9159761633692627
Energy: 0.8205659813359796
Energy: 0.9159761633692627
Energy: 0.8702937671457458
Energy: 0.8454914368087486
Energy: 0.8258967579736506
Energy: 0.8454914368087486
Energy: 0.8600018203752451
Energy: 1.051328502905856
Energy: 0.8201065608137433
Energy: 1.051328502905856
Energy: 0.8416650398707136
Energy: 0.9166992875909792
Energy: 0.8453257543503183
Energy: 0.9166992875909792
Energy: 0.983999868312873
Energy: 1.0511777410297383
Energy: 0.8218378536318846
Energy: 1.0511777410297383
Energy: 0.8414649963372379
Energy: 0.8995426768149778
Energy: 1.140540606644386
Energy: 0.8995426768157008
Energy: 0.825018203634016
Energy: 0.9915920889463395
Energy: 0.8421402653180091
Energy: 0.9915920889456166
Energy: 0.8415420771259466
Energy: 0.8995533521075677
Energy: 0.9891487094917
Energy: 0.8995533521075677
Energy: 0.8210713740141993
Energy: 0.8518561578410404
Energy: 0.8418983162125592
Energy: 0.8518561578410404
Energy: 0.8415428713709675
Energy: 0.8980766775644351
Energy: 0.8760508768397847
Energy: 0.8980766775651581
Energy: 0.8368424376175201
Energy: 0.993166323079393
Energy: 0.8217386375754504
Energy: 0.993166323079393

minimum gb energy = 0.8198394462287774 eV
minimum distance =  2.26630403213955 Angstroms
sigma value = 37


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

Energy: 0.7893703734779697
Energy: 0.7887045368383666
Energy: 1.005191465518873
Energy: 0.7887045368383666
Energy: 0.8325728816695728
Energy: 0.7883838658482881
Energy: 0.7535181013063958
Energy: 0.7883838658482881
Energy: 0.7656665058902141
Energy: 0.8966008273931753
Energy: 1.2678308388201545
Energy: 0.8966008273931753
Energy: 0.7508381969461647
Energy: 1.0153366433249145
Energy: 0.7536088746792827
Energy: 1.0153366433249145
Energy: 0.7528301770656454
Energy: 0.788411987087371
Energy: 0.749221128879962
Energy: 0.788411987087371
Energy: 0.7446396133603592
Energy: 0.7883503105782191
Energy: 0.7496154589280704
Energy: 0.7883503105782191
Energy: 0.7764078402269052
Energy: 0.9267092032197379
Energy: 0.9988390453960653
Energy: 0.9267092032197379
Energy: 0.7499555254087408
Energy: 0.7893265663813751
Energy: 0.7917627152308646
Energy: 0.7893265663813751
Energy: 0.7530138683256005
Energy: 0.8845153555881673
Energy: 0.997904537026612
Energy: 0.8845153555881673
Energy: 1.0355327305602768
Energy: 0.7896360367472707
Energy: 0.7497229344763333
Energy: 0.7896360367485145
Energy: 0.7763409982893524
Energy: 0.9201980375387593
Energy: 0.7478860925835794
Energy: 0.9201980375387593
Energy: 1.0326806253498577
Energy: 0.7887898776348492
Energy: 0.7535754586468721
Energy: 0.7887898776348492
Energy: 0.7529050890028427
Energy: 0.7889669164130065
Energy: 0.7544290025477411
Energy: 0.7889669164130065
Energy: 0.9989750875837886
Energy: 0.9190907952213262
Energy: 0.753125945563412
Energy: 0.9190907952213262
Energy: 0.7882020778217917
Energy: 0.8264350914871784
Energy: 0.7521161742745114
Energy: 0.8264350914871784
Energy: 0.7884670835855876
Energy: 0.8843954754042135
Energy: 0.7539217701370955
Energy: 0.8843954754042135
Energy: 0.7530829026664527
Energy: 0.8847819012985896
Energy: 0.7543092684219469
Energy: 0.8847819012985896
Energy: 0.7472438175281176
Energy: 0.9191237990570972
Energy: 0.7525765600039012
Energy: 0.9191237990570972
Energy: 0.7549841511343539
Energy: 0.7901657690635198
Energy: 0.7522163073851162
Energy: 0.7901657690635198
Energy: 0.7477750380290957
Energy: 0.7889655275050468
Energy: 0.7469571003537955
Energy: 0.7889655275050468

minimum gb energy = 0.7446396133603592 eV
minimum distance =  2.32870022842101 Angstroms
sigma value = 25


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

Energy: 0.7266323656365851
Energy: 0.6867075028327078
Energy: 1.0457849779519226
Energy: 0.6867075028327078
Energy: 0.9027329692663104
Energy: 0.7033028240691723
Energy: 0.6901725605221611
Energy: 0.7033028240691723
Energy: 0.684046981119904
Energy: 0.6838276754310253
Energy: 0.9093107063117214
Energy: 0.6838276754310253
Energy: 0.7067501995749095
Energy: 0.8773966270084337
Energy: 0.6895542008991011
Energy: 0.8773966270084337
Energy: 0.6889441354362077
Energy: 0.8784568723756974
Energy: 0.6647940930051351
Energy: 0.8784568723747261
Energy: 0.6633026493809426
Energy: 0.8775390995655025
Energy: 0.68999850604978
Energy: 0.8775390995655025
Energy: 0.6896181910146089
Energy: 0.6838557858192629
Energy: 0.7249073067049435
Energy: 0.6838557858192629
Energy: 0.6620239804241301
Energy: 0.7258846102323638
Energy: 0.6853816646705829
Energy: 0.7258846102323638
Energy: 0.6888952831062228
Energy: 0.7035199823238092
Energy: 0.8987333324919906
Energy: 0.7035199823238092
Energy: 0.6637507483602625
Energy: 0.8645334300082629
Energy: 0.7278614416272566
Energy: 0.8645334300072917
Energy: 0.6897366750716839
Energy: 0.6839270782487396
Energy: 1.05929323292508
Energy: 0.6839270782487396
Energy: 0.8871791408819981
Energy: 0.9694092887417802
Energy: 0.685354110860048
Energy: 0.9694092887417802
Energy: 0.688970244290331
Energy: 0.7035092296884232
Energy: 0.8645545239654209
Energy: 0.7035092296884232
Energy: 0.8940418002348207
Energy: 0.9360929016742755
Energy: 0.6898560613737549
Energy: 0.9360929016742755
Energy: 0.6897152500578977
Energy: 0.6839140378156188
Energy: 0.6653308447559706
Energy: 0.6839140378146474
Energy: 0.8911594473381125
Energy: 0.9690180510481432
Energy: 0.6931392409302978
Energy: 0.9690180510481432
Energy: 0.6890949505305548
Energy: 0.7259084218260877
Energy: 0.6621071797780727
Energy: 0.7259084218260877
Energy: 0.8794675311388
Energy: 0.8778273304116148
Energy: 0.6899242538353652
Energy: 0.8778273304116148
Energy: 0.7313233092603374
Energy: 0.6836247363750341
Energy: 0.664732881498618
Energy: 0.6836247363750341
Energy: 1.0598370567990194
Energy: 0.9684420056972302
Energy: 0.6931421344584822
Energy: 0.9684420056972302
Energy: 0.689282748919621
Energy: 0.968149647104004
Energy: 0.6624702185192608
Energy: 0.968149647104004
Energy: 0.6836171919164454
Energy: 0.703621295757062
Energy: 0.6900161958104708
Energy: 0.703621295757062
Energy: 0.6899300490466489
Energy: 0.7624079027239943
Energy: 0.9006246320519061
Energy: 0.7624079027239943
Energy: 0.6630496786158743
Energy: 0.8063871037232123
Energy: 0.6880774945144065
Energy: 0.8063871037232123
Energy: 0.6879009819725693
Energy: 0.9679715853335383
Energy: 0.8922878702658279
Energy: 0.9679715853335383
Energy: 0.6639867971224516
Energy: 0.7263258712811439
Energy: 0.690686048840837
Energy: 0.7263258712811439

minimum gb energy = 0.6620239804241301 eV
minimum distance =  2.33539689423735 Angstroms
sigma value = 41


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

Energy: 1.006397491501562
Energy: 0.6490633270147378
Energy: 1.0607000969943017
Energy: 0.6490633270147378
Energy: 1.0134213706461455
Energy: 0.6967650402053112
Energy: 0.6153619002963041
Energy: 0.6967650402053112
Energy: 0.714978238594628
Energy: 0.6218684341273072
Energy: 0.7835825399438417
Energy: 0.6218684341273072
Energy: 0.8635329378945085
Energy: 0.7065373854674301
Energy: 0.6162616111746322
Energy: 0.7065373854698189
Energy: 0.6900609496976744
Energy: 0.7938131403533435
Energy: 0.7026178969367738
Energy: 0.7938131403533435
Energy: 0.7065025266773814
Energy: 0.7675272451205838
Energy: 0.6226194529895285
Energy: 0.7675272451197876
Energy: 0.6211685462955023
Energy: 0.7703043895841634
Energy: 0.7071615928161687
Energy: 0.7703043895841634
Energy: 0.683150334063338
Energy: 0.709968419312445
Energy: 0.6908327843440406
Energy: 0.709968419311685
Energy: 0.6175050437038403
Energy: 0.709990113977709
Energy: 0.8746046059731563
Energy: 0.7099901139793015
Energy: 0.6058083815195554
Energy: 0.6995980066694314
Energy: 0.7155011370896643
Energy: 0.6995980066558948
Energy: 0.6146561652309606
Energy: 0.6263862213140177
Energy: 1.1292394157668313
Energy: 0.6263862213140177
Energy: 0.6006541926672171
Energy: 0.7806370545335882
Energy: 0.9256557784677828
Energy: 0.7806370545335882
Energy: 0.6174100665525718
Energy: 0.7723977861391664
Energy: 1.1261064875681086
Energy: 0.7723977861431477
Energy: 0.7853149613984292
Energy: 0.7172243354840677
Energy: 0.7156789330599118
Energy: 0.7172243354832715
Energy: 0.6171300843507508
Energy: 0.6320660640910309
Energy: 1.0023514290525348
Energy: 0.6320660640918273
Energy: 0.7965662956122626
Energy: 0.7798197629754837
Energy: 0.6907284689751586
Energy: 0.7798197629754837
Energy: 0.6253042983308181
Energy: 0.7010012235626333
Energy: 0.8463293436493663
Energy: 0.7010012235618369
Energy: 0.870822658089292
Energy: 0.7013405082207986
Energy: 0.6227251693888969
Energy: 0.7013405082207986
Energy: 0.6930184392284983
Energy: 0.7101257280844271
Energy: 0.6954584233632386
Energy: 0.7101257280844271
Energy: 0.8779982592463804
Energy: 0.7799399103353454
Energy: 0.6197378175232091
Energy: 0.7799399103353454
Energy: 0.7178804997736428
Energy: 0.7012749727832229
Energy: 0.6832941229079574
Energy: 0.7012749727832229
Energy: 1.1262097465246124
Energy: 0.7170250373631408
Energy: 0.61547785933293
Energy: 0.7170250373623446
Energy: 1.0069337776970901
Energy: 0.7219409468900623
Energy: 0.6144110160589021
Energy: 0.7219409468900623
Energy: 1.0093179683395006
Energy: 0.7720099496814122
Energy: 0.6172650423459427
Energy: 0.7720099496814122
Energy: 0.7177885433054271
Energy: 0.7046349434579335
Energy: 0.6026311742398218
Energy: 0.7046349434579335
Energy: 0.9989366924434658
Energy: 0.7295282138286989
Energy: 0.6191779768844491
Energy: 0.7295282138286989
Energy: 0.6931405673574067
Energy: 0.7801629576020555
Energy: 0.7963543310495333
Energy: 0.7801629576012591
Energy: 0.6908462342891128
Energy: 0.7011558028882179
Energy: 0.6252376980225309
Energy: 0.7011558028882179
Energy: 0.6254515511244358
Energy: 0.7043579991301467
Energy: 0.8730513599093166
Energy: 0.7043579991301467
Energy: 0.6925131881274854
Energy: 0.7372067998617955
Energy: 0.6968843549708567
Energy: 0.7372067998617955
Energy: 0.6199187731226982
Energy: 0.7802941357371658
Energy: 0.8819502813517798
Energy: 0.780294135737962
Energy: 0.6045537526954518
Energy: 0.7011265014832754
Energy: 0.721257806765335
Energy: 0.7011265014832754

minimum gb energy = 0.6006541926672171 eV
minimum distance =  2.32462203098879 Angstroms
sigma value = 15


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

Energy: 0.8374286313361217
Energy: 0.5778467084907418
Energy: 0.9237051491169236
Energy: 0.5778467084900674
Energy: 0.9624958078748804
Energy: 0.5753098802110046
Energy: 0.575868539938314
Energy: 0.5753098802103299
Energy: 0.596356608183225
Energy: 0.574379478959986
Energy: 1.0005882002291528
Energy: 0.5743794789606608
Energy: 0.8508482020483651
Energy: 0.5758878295065352
Energy: 0.5758754392484593
Energy: 0.5758878295071482
Energy: 0.5732829406831125
Energy: 0.6367686821389293
Energy: 0.85348693349859
Energy: 0.6367686821396038
Energy: 0.8458917180604404
Energy: 0.6987641670536825
Energy: 0.5758979728634878
Energy: 0.6987641670509841
Energy: 0.5752855432896912
Energy: 0.7074906283350899
Energy: 0.5747889336188107
Energy: 0.7074906283344153
Energy: 0.6925180150879372
Energy: 0.706253227309592
Energy: 0.5758203572446566
Energy: 0.706253227309592
Energy: 0.5773629471881512
Energy: 0.5866349031332041
Energy: 0.7190409700898032
Energy: 0.5866349031325296
Energy: 0.5513076168898932
Energy: 0.57430521007598
Energy: 0.573992698173928
Energy: 0.574305210074631
Energy: 0.5752633439021928
Energy: 0.5756247508995285
Energy: 0.8525880248732661
Energy: 0.5756247508988539
Energy: 0.5516224640886801
Energy: 0.6987691222654986
Energy: 0.596817776760417
Energy: 0.6987691222654986
Energy: 0.5773229763078159
Energy: 0.5868820746759108
Energy: 1.0578948656178373
Energy: 0.5868820746759108
Energy: 0.5519312152218343
Energy: 0.5780664153805205
Energy: 0.8377764705852406
Energy: 0.5780664153805205
Energy: 0.5753050111490944
Energy: 0.5759486231092863
Energy: 1.0681624065085127
Energy: 0.5759486231086118
Energy: 0.7205832400490537
Energy: 0.6987541393781503
Energy: 0.5967591338704467
Energy: 0.6987541393781503
Energy: 0.5773466137597055
Energy: 0.5863760137535409
Energy: 0.9543394593449731
Energy: 0.5863760137528662
Energy: 0.7312799591639048
Energy: 0.633885845509578
Energy: 0.573797406534062
Energy: 0.6338858455102527
Energy: 0.5753495685283533
Energy: 0.5754044891113943
Energy: 0.8450479297726003
Energy: 0.5754044891086962
Energy: 0.7297577459093603
Energy: 0.6981660731650968
Energy: 0.5759100720312599
Energy: 0.6981660731644223
Energy: 0.5772959315004095
Energy: 0.5984066155391216
Energy: 0.6946617301626851
Energy: 0.598406615539796
Energy: 0.7209491500738687
Energy: 0.5871373469367359
Energy: 0.5796468306124609
Energy: 0.5871373468874935
Energy: 0.5753225999647513
Energy: 0.5740956173426607
Energy: 0.570580856044586
Energy: 0.5740956173419861
Energy: 0.9886918699445099
Energy: 0.6984057391072164
Energy: 0.5758587747344237
Energy: 0.6984057391072164
Energy: 0.5982711350313218
Energy: 0.5972749453721762
Energy: 0.5690026328145645
Energy: 0.5972749453728506
Energy: 0.9622300362431403
Energy: 0.5850752976584855
Energy: 0.579763283799914
Energy: 0.5850752976578111
Energy: 0.8392060086851924
Energy: 0.5742290156659596
Energy: 0.5681388439331467
Energy: 0.5742290156666341
Energy: 1.0646031139554093
Energy: 0.6974870569822236
Energy: 0.5756431275514609
Energy: 0.6974870569822236
Energy: 0.5983527637337808
Energy: 0.6547324728733991
Energy: 0.5661340845250364
Energy: 0.6547324728733991
Energy: 0.8228872869958955
Energy: 0.5859508538130523
Energy: 0.5794833968466219
Energy: 0.5859508538130523
Energy: 0.5752523995677126
Energy: 0.6343032727949404
Energy: 0.7272843600385133
Energy: 0.6343032727956148
Energy: 0.8411307630297992
Energy: 0.5742427974447742
Energy: 0.5760566800315526
Energy: 0.5742427974407269
Energy: 0.5773601119459222
Energy: 0.653909040735446
Energy: 0.7245330361510803
Energy: 0.6539090407361204
Energy: 0.5590046278115312
Energy: 0.5971728378260747
Energy: 0.5797969822151233
Energy: 0.5971728378260747
Energy: 0.5704402507358143
Energy: 0.6326716801353864
Energy: 0.7327689014186443
Energy: 0.6326716801360609
Energy: 0.5637769097339258
Energy: 0.573583553248918
Energy: 0.5777335357166609
Energy: 0.573583553248918
Energy: 0.5774151021300262
Energy: 0.6560581005740183
Energy: 0.9849728809520697
Energy: 0.6560581005746927

minimum gb energy = 0.5513076168898932 eV
minimum distance =  2.32385785255235 Angstroms
sigma value = 85


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

Energy: 0.7836260042082388
Energy: 0.5590081700853409
Energy: 0.6875960547961968
Energy: 0.5590081700853409
Energy: 0.9708302157801192
Energy: 0.5555041482874445
Energy: 0.5265010420185978
Energy: 0.5555041482856895
Energy: 0.753201265043883
Energy: 0.5552344280775007
Energy: 0.6610348641317693
Energy: 0.5552344280775007
Energy: 0.9445098352344268
Energy: 0.5555328478487654
Energy: 0.5266472466967498
Energy: 0.5555328478487654
Energy: 0.5545674274237256
Energy: 0.524931044038287
Energy: 0.49329067130012183
Energy: 0.524931044038287
Energy: 0.8427642381752248
Energy: 0.5559114926686088
Energy: 0.5265001232052917
Energy: 0.5559114926686088
Energy: 0.5240570411468313
Energy: 0.6690864802099682
Energy: 0.529164385226621
Energy: 0.6690864802099682
Energy: 0.7398236289394001
Energy: 0.6531433919346897
Energy: 0.5267524951272261
Energy: 0.6531433919346897
Energy: 0.5260845817366105
Energy: 0.6395238648216953
Energy: 0.6666360248488921
Energy: 0.6395238648216953
Energy: 0.6166305473302159
Energy: 0.6693841347254158
Energy: 0.524599329408911
Energy: 0.6693841347254158
Energy: 0.527661055565512
Energy: 0.5555078873155685
Energy: 0.7738432187286107
Energy: 0.5555078873149835
Energy: 0.49303910547214175
Energy: 0.5547744633880092
Energy: 0.5550183373459436
Energy: 0.5547744634049753
Energy: 0.5260239315885386
Energy: 0.5385052754013872
Energy: 0.8743678801459902
Energy: 0.5385052754008021
Energy: 0.4938826857194635
Energy: 0.6537195731997982
Energy: 0.7538023314733372
Energy: 0.6537195732003833
Energy: 0.5275994703677029
Energy: 0.5554637807392678
Energy: 1.0404703366687835
Energy: 0.5554637807392678
Energy: 0.49352223566307085
Energy: 0.5591273009628508
Energy: 0.7843888168069126
Energy: 0.5591273009622658
Energy: 0.5261108684457718
Energy: 0.5386121010692125
Energy: 1.041023454619888
Energy: 0.5386121010692125
Energy: 0.6285571651037194
Energy: 0.6536232608180033
Energy: 0.7537261039468292
Energy: 0.6536232608180033
Energy: 0.5277307421380693
Energy: 0.6535066144329372
Energy: 0.9446917689457518
Energy: 0.6535066144329372
Energy: 0.6354923204115474
Energy: 0.559196797497586
Energy: 0.5552541393061192
Energy: 0.559196797498171
Energy: 0.5261175514937237
Energy: 0.538407535776067
Energy: 0.8356161033544565
Energy: 0.538407535776067
Energy: 0.6338493613204088
Energy: 0.6530064080797775
Energy: 0.5246756284710079
Energy: 0.6530064080803624
Energy: 0.5282390776798993
Energy: 0.5544194474016095
Energy: 0.7396537140164466
Energy: 0.5544194474016095
Energy: 0.6441273570991695
Energy: 0.5751622449242328
Energy: 0.526662994033981
Energy: 0.575162244925403
Energy: 0.5261345607155626
Energy: 0.5544934532540768
Energy: 0.6784577244416421
Energy: 0.5544934532540768
Energy: 0.8773618265068405
Energy: 0.6530896499744242
Energy: 0.5279733408099628
Energy: 0.6530896499750093
Energy: 0.5564944816931191
Energy: 0.5545143973030975
Energy: 0.49311103474393675
Energy: 0.5545143973025124
Energy: 0.879322239770294
Energy: 0.5753125495750504
Energy: 0.5265809912543684
Energy: 0.5753125495744654
Energy: 0.755402505958978
Energy: 0.6536395886456104
Energy: 0.49345229497064585
Energy: 0.6536395886456104
Energy: 1.0404811064956039
Energy: 0.6533431071960076
Energy: 0.5276531325066433
Energy: 0.6533431071960076
Energy: 0.7855238920627364
Energy: 0.5545500862881767
Energy: 0.493707592911204
Energy: 0.5545500862875917
Energy: 0.9613294054838987
Energy: 0.5753780770770394
Energy: 0.5266718745121791
Energy: 0.5753780770764543
Energy: 0.7554681898206916
Energy: 0.653919452176204
Energy: 0.49653272532016507
Energy: 0.6539194521767888
Energy: 0.9447679759692647
Energy: 0.6531194121792652
Energy: 0.5275756681960335
Energy: 0.6531194121798503
Energy: 0.5564992716293645
Energy: 0.5544431781324135
Energy: 0.6354496920996912
Energy: 0.5544431781324135
Energy: 0.7430896476582767
Energy: 0.5726895885999492
Energy: 0.5266367203683677
Energy: 0.5726895885999492
Energy: 0.526205156960122
Energy: 0.653223729327769
Energy: 0.6354330720415624
Energy: 0.6532237293283539
Energy: 0.7412678241465753
Energy: 0.5543828867488113
Energy: 0.5276891293001859
Energy: 0.5543828867482263
Energy: 0.5281657700124469
Energy: 0.5545438617097501
Energy: 0.6462962896770511
Energy: 0.554543861707995
Energy: 0.5031786349071041
Energy: 0.5918955165672422
Energy: 0.5283594482496121
Energy: 0.5918955165672422
Energy: 0.5259094999934798
Energy: 0.6532001540876924
Energy: 0.8695630947071052
Energy: 0.6532001540876924
Energy: 0.49306148147628104
Energy: 0.5543662948151012
Energy: 0.557515211058133
Energy: 0.5543662948151012
Energy: 0.5280245182038018
Energy: 0.5543649976302393
Energy: 0.8791561947147838
Energy: 0.5543649976308243

minimum gb energy = 0.49303910547214175 eV
minimum distance =  2.34025760453934 Angstroms
sigma value = 113


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

Energy: 0.015605018800725139
Energy: 0.01623170999542027
Energy: 0.691951596491223
Energy: 0.01623170999542027
Energy: 0.6915944798278298
Energy: 0.2716066730476857
Energy: 0.2720162188910178
Energy: 0.2716066730476857
Energy: 0.015605018800725139
Energy: 0.01623170999542027
Energy: 0.6919126305142865
Energy: 0.01623170999542027
Energy: 0.6915944798278298
Energy: 0.2716066730476857
Energy: 0.2720162188971643
Energy: 0.2716066730476857
Energy: 0.015605018800725139
Energy: 0.01623170999542027
Energy: 0.6919096403315796
Energy: 0.01623170999542027
Energy: 0.6915944798278298
Energy: 0.27160667304726094
Energy: 0.272016218858486
Energy: 0.2716066730476857

minimum gb energy = 0.015605018800725139 eV
minimum distance =  2.52684410580713 Angstroms
sigma value = 1