Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_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=3.592786550521851
cohesive_energy=3.511869165642938
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: -1.33896745442359e-24 eV

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

Energy: 0.013753426289387574
Energy: 0.01416924723500971
Energy: 0.014146359298809377
Energy: 0.01416924723500971
Energy: 0.01416924723500971
Energy: 0.8309141786798137
Energy: 0.01416924723500971
Energy: 0.8309141786804133
Energy: 0.014146359298809377
Energy: 0.01416924723500971
Energy: 0.013753426289987294
Energy: 0.01416924723500971
Energy: 0.01416924723440999
Energy: 0.8309141786804133
Energy: 0.01416924723500971
Energy: 0.8309141786804133

minimum gb energy = 0.013753426289387574 eV
minimum distance =  2.47612434069734 Angstroms
sigma value = 1


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

Energy: 1.0013882574398918
Energy: 1.015168074347654
Energy: 0.9011537441828885
Energy: 1.015168074347654
Energy: 0.9583445410778385
Energy: 1.0027863407682989
Energy: 0.9614218774308416
Energy: 1.0027863407682989
Energy: 0.9133047146634928
Energy: 1.0032658627793505
Energy: 0.9452475805487702
Energy: 1.0032658627793505
Energy: 0.9374296046500935
Energy: 1.026043761500738
Energy: 0.924868772587476
Energy: 1.026043761500738
Energy: 0.9397813959564661
Energy: 1.0158030950276422
Energy: 0.9353680603263643
Energy: 1.0158030950276422
Energy: 0.906672772373818
Energy: 0.9968393312346865
Energy: 0.8927121265467178
Energy: 0.9968393312354568
Energy: 0.961108136284079
Energy: 1.0034885735117505
Energy: 0.9079787779293157
Energy: 1.0034885735117505
Energy: 0.8549962214979101
Energy: 1.017118344962456
Energy: 0.8908972700657523
Energy: 1.017118344962456
Energy: 0.926433487503574
Energy: 0.9482799787652996
Energy: 0.9647707546460913
Energy: 0.9482799787652996
Energy: 0.8889037466604501
Energy: 1.002736074445224
Energy: 0.8498030580001533
Energy: 1.002736074445224
Energy: 0.9585126851651248
Energy: 1.002333257858312
Energy: 0.9264376084612054
Energy: 1.002333257858312
Energy: 0.9233591085073447
Energy: 1.0172989157238328
Energy: 0.8991955196590488
Energy: 1.0172989157238328
Energy: 0.9458423499027145
Energy: 1.0024779636804375
Energy: 0.9611888393330352
Energy: 1.0024779636804375
Energy: 0.9515140381622577
Energy: 1.0083455842922389
Energy: 0.9173329909437338
Energy: 1.0083455842922389
Energy: 0.9540234163598739
Energy: 1.0151161026054611
Energy: 0.9449292434592483
Energy: 1.0151161026054611
Energy: 0.9540576156839808
Energy: 1.0153093132726814
Energy: 0.9454233039400077
Energy: 1.0153093132726814
Energy: 0.9452026371863421
Energy: 1.0035115771269951
Energy: 0.8991120626966858
Energy: 1.0035115771269951
Energy: 0.9615223205235187
Energy: 0.9883172414774325
Energy: 0.9592408015426959
Energy: 0.9883172414774325
Energy: 0.8494806321902605
Energy: 1.0163172118557777
Energy: 0.8981781666729313
Energy: 1.0163172118565476
Energy: 0.9736257762264268
Energy: 0.9483573488131967
Energy: 0.9295811141963739
Energy: 0.9483573488131967
Energy: 0.889830614428218
Energy: 1.0033204215071037
Energy: 0.8695326749748404
Energy: 1.0033204215071037
Energy: 0.9249127956704587
Energy: 1.0106930647306056
Energy: 0.9476349309055422
Energy: 1.0106930647306056
Energy: 0.9356720527842015
Energy: 1.0160867922248902
Energy: 0.8968712911888747
Energy: 1.0160867922248902
Energy: 0.9250408307575068
Energy: 1.0035308510956251
Energy: 0.9064873770252652
Energy: 1.0035308510956251
Energy: 0.9077000622441229
Energy: 0.998977980044727
Energy: 0.9610823915088545
Energy: 0.998977980044727
Energy: 0.9436661004139965
Energy: 1.017432700969581
Energy: 0.8958630030167359
Energy: 1.017432700970351
Energy: 0.9568588667973688
Energy: 1.0059707455282776
Energy: 0.9259841216090129
Energy: 1.0059707455275075
Energy: 0.8951783830911172
Energy: 1.0027011628574467
Energy: 0.9826538397704276
Energy: 1.0027011628574467
Energy: 0.9574495187087942
Energy: 1.0358421886954678
Energy: 0.958338192896324
Energy: 1.0358421886954678
Energy: 0.960106377054603
Energy: 1.0157968385808762
Energy: 0.9262385262370649
Energy: 1.0157968385808762
Energy: 0.9537903302952067
Energy: 1.010335738601794
Energy: 0.9455564828783423
Energy: 1.0103357386010239
Energy: 0.9278007783886031
Energy: 1.0042342463112977
Energy: 0.9513120030253174
Energy: 1.0042342463120677
Energy: 0.9397453436443988
Energy: 1.0257435256107188
Energy: 0.9256408942952716
Energy: 1.0257435256107188

minimum gb energy = 0.8494806321902605 eV
minimum distance =  2.29065017251314 Angstroms
sigma value = 1


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

Energy: 1.067765179825743
Energy: 1.082815825897352
Energy: 0.9641028818066512
Energy: 1.082815825897352
Energy: 0.9835276952813047
Energy: 1.0550052354603223
Energy: 1.0044029404728398
Energy: 1.0550052354603223
Energy: 0.9524522098275813
Energy: 1.0839435535975754
Energy: 0.9799365609126326
Energy: 1.0839435535966973
Energy: 0.9408189400217666
Energy: 0.9733778094955862
Energy: 0.9393000108903977
Energy: 0.9733778094955862
Energy: 0.9408708192424152
Energy: 1.0635292445901108
Energy: 0.9811307043590499
Energy: 1.0635292445901108
Energy: 0.988357311700068
Energy: 1.0635258392183695
Energy: 0.9809584191719256
Energy: 1.0635258392183695
Energy: 0.9826419490556869
Energy: 0.9729483516917972
Energy: 0.9601154465906915
Energy: 0.9729483516917972
Energy: 0.8880174774972213
Energy: 1.082883281373048
Energy: 0.9308262910142613
Energy: 1.082883281373048
Energy: 0.9498509189849377
Energy: 1.0047436904984335
Energy: 0.9895873008027738
Energy: 1.0047436904984335
Energy: 0.9408687156848562
Energy: 1.0831272560429432
Energy: 0.9487563255906284
Energy: 1.0831272560429432
Energy: 0.9827887490076679
Energy: 1.0377096706149713
Energy: 0.9808457197556688
Energy: 1.0377096706149713
Energy: 0.9202446889131869
Energy: 1.0728775804942732
Energy: 0.9799842201654969
Energy: 1.0728775804942732
Energy: 1.0057828099190789
Energy: 1.0632086637611373
Energy: 0.9804377123765837
Energy: 1.0632086637611373
Energy: 1.0059390803746469
Energy: 1.0632396263424848
Energy: 0.9696885626950473
Energy: 1.0632396263424848
Energy: 0.9203452478325121
Energy: 1.0729940245898362
Energy: 0.9912744584853015
Energy: 1.0729940245898362
Energy: 0.9827980358526057
Energy: 1.0376678863545103
Energy: 1.004870337846257
Energy: 1.0376678863553883
Energy: 0.9408455648250796
Energy: 1.082964135065024
Energy: 0.9177745849554284
Energy: 1.082964135065024
Energy: 0.9498689055307579
Energy: 1.0047787197204914
Energy: 0.9896715943433281
Energy: 1.0047787197204914
Energy: 0.8880191912128571
Energy: 1.0828050074349473
Energy: 0.9154290828825462
Energy: 1.0828050074349473
Energy: 0.982490501400374
Energy: 0.9732600562449433
Energy: 0.9391198867421113
Energy: 0.9732600562458213
Energy: 0.9884433686457987
Energy: 1.063554210110313
Energy: 0.9293017145689376
Energy: 1.063554210110313
Energy: 0.9408702593484078
Energy: 1.063501812286752
Energy: 0.9607890553221797
Energy: 1.0635018122858737
Energy: 0.941054116176054
Energy: 0.9736197370011649
Energy: 0.9454354050641989
Energy: 0.9736197370002868
Energy: 0.9524817644330174
Energy: 1.0837807279703229
Energy: 0.9898842555946477
Energy: 1.0837807279703229
Energy: 0.9834405383057628
Energy: 1.0550819049129119
Energy: 1.0045755322202794
Energy: 1.0550819049129119
Energy: 1.0677651798248649
Energy: 1.082815825897352
Energy: 0.9759749730377626
Energy: 1.082815825897352
Energy: 0.9835276952813047
Energy: 1.0550052354603223
Energy: 1.0044029404728398
Energy: 1.0550052354603223
Energy: 0.9524522098275813
Energy: 1.0839435535975754
Energy: 0.9799365609126326
Energy: 1.0839435535966973
Energy: 0.9408189400217666
Energy: 0.9733778094947081
Energy: 0.9393000108903977
Energy: 0.9733778094955862

minimum gb energy = 0.8880174774972213 eV
minimum distance =  2.28724478064556 Angstroms
sigma value = 25


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

Energy: 1.0257785088602682
Energy: 1.1325551613698308
Energy: 1.000472643102625
Energy: 1.1325551613698308
Energy: 1.0493276956072028
Energy: 1.0827834620746652
Energy: 1.0025465807737381
Energy: 1.0827834620746652
Energy: 1.00543709046943
Energy: 1.1641857926723775
Energy: 1.004138056026838
Energy: 1.1641857926723775
Energy: 1.0050945532655995
Energy: 1.1020630835265948
Energy: 0.981708467862162
Energy: 1.102063083525574
Energy: 0.9806234873189078
Energy: 1.1346168579646685
Energy: 0.9522177916393035
Energy: 1.1346168579646685
Energy: 1.0488641536442895
Energy: 1.1615932204983754
Energy: 0.9811868451322278
Energy: 1.1615932204983754
Energy: 1.0494706667272535
Energy: 1.0083879330794805
Energy: 1.004932801468111
Energy: 1.0083879330794805
Energy: 1.0774468988669048
Energy: 1.134852321268391
Energy: 0.944829458438095
Energy: 1.134852321268391
Energy: 1.00486263850955
Energy: 1.0828550948069426
Energy: 1.0040910984379765
Energy: 1.0828550948069426
Energy: 1.0034265259199295
Energy: 1.1609015430315688
Energy: 0.9700082645110737
Energy: 1.1609015430315688
Energy: 1.0390133349528559
Energy: 1.132884891582212
Energy: 1.0027748635452403
Energy: 1.132884891582212
Energy: 0.983658600464618
Energy: 1.1327125773250677
Energy: 1.002590905638664
Energy: 1.1327125773250677
Energy: 1.003819256309408
Energy: 1.0934761631664673
Energy: 0.9707861160001792
Energy: 1.0934761631654464
Energy: 1.005917362970801
Energy: 1.0623330490532084
Energy: 1.048499757528831
Energy: 1.0623330490532084
Energy: 0.9313593069728314
Energy: 1.1329933170662605
Energy: 0.9424694032294257
Energy: 1.1329933170662605
Energy: 1.0020834954730307
Energy: 1.0104369616638516
Energy: 0.9809036928059001
Energy: 1.0104369616638516
Energy: 0.9304434506503622
Energy: 1.1613302324850143
Energy: 0.9302488480627814
Energy: 1.1613302324850143
Energy: 0.9817039292261722
Energy: 1.0940412447262249
Energy: 1.0398561605331025
Energy: 1.0940412447262249
Energy: 0.9680691055030871
Energy: 1.101352685625941
Energy: 0.9807714623503443
Energy: 1.101352685625941
Energy: 0.980726450270423
Energy: 1.161019687460539
Energy: 1.0066429183552348
Energy: 1.161019687460539
Energy: 1.015880707614819
Energy: 1.0790454853166993
Energy: 1.0024069080035731
Energy: 1.0790454853166993
Energy: 1.0247032793322444
Energy: 1.1333725039302185
Energy: 1.0448158522079272
Energy: 1.1333725039302185
Energy: 1.0511757075509722
Energy: 1.0906555449744955
Energy: 1.0031989025833075
Energy: 1.0906555449744955
Energy: 0.9743937803065477
Energy: 1.1650797925308811
Energy: 1.0032824585532585
Energy: 1.1650797925308811
Energy: 1.0029696075410275
Energy: 1.0207314747601206
Energy: 0.980284219444221
Energy: 1.0207314747601206

minimum gb energy = 0.9302488480627814 eV
minimum distance =  2.28914085352415 Angstroms
sigma value = 9


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

Energy: 1.1459357782552932
Energy: 1.0712892307258086
Energy: 1.103284202895012
Energy: 1.0712892307258086
Energy: 1.0505620764841257
Energy: 1.136901085953325
Energy: 1.0564220795787416
Energy: 1.136901085953325
Energy: 0.9826970400233017
Energy: 1.0763185911485185
Energy: 1.055795357025856
Energy: 1.0763185911485185
Energy: 1.0764380001952
Energy: 1.167744643660639
Energy: 0.9993934414157708
Energy: 1.167744643660639
Energy: 1.1012459330910398
Energy: 1.1485888910305944
Energy: 1.030718952213539
Energy: 1.1485888910305944
Energy: 1.0022350363879695
Energy: 1.0767139942755133
Energy: 1.0415878323527596
Energy: 1.0767139942755133
Energy: 1.0726482828077823
Energy: 0.9992978647666644
Energy: 1.000136186477087
Energy: 0.9992978647666644
Energy: 1.0222185536457584
Energy: 1.0766193411603064
Energy: 1.0265852182499973
Energy: 1.0766193411603064
Energy: 1.0739952745427455
Energy: 1.1491537160563694
Energy: 1.0278895523006106
Energy: 1.1491537160563694
Energy: 1.0771193019868763
Energy: 1.0711315247482665
Energy: 1.0002274699714377
Energy: 1.0711315235104637
Energy: 1.0089123752592402
Energy: 1.1653474841832752
Energy: 1.0560601550831445
Energy: 1.1653474841832752
Energy: 1.0751196319722987
Energy: 1.1139934062941228
Energy: 0.9995127928004013
Energy: 1.1139934062941228
Energy: 1.0021545298491585
Energy: 1.0812491665699138
Energy: 0.9737853644413385
Energy: 1.0812491665699138
Energy: 1.0484688323375169
Energy: 1.0542657581069752
Energy: 1.0704700508377682
Energy: 1.0542657581069752
Energy: 1.0021820501372507
Energy: 1.0763312817528796
Energy: 1.0221368126146646
Energy: 1.076331281754097
Energy: 1.0748601688135297
Energy: 1.1212473370730318
Energy: 0.9992527846087821
Energy: 1.1212473370730318
Energy: 1.077363491154244
Energy: 1.1483202107155344
Energy: 1.055926595116162
Energy: 1.1483202107155344
Energy: 1.0710250809298298
Energy: 1.071325301121499
Energy: 1.0015448345730367
Energy: 1.071325301121499
Energy: 1.0757350013410256
Energy: 1.139771564884631
Energy: 1.0590501516346593
Energy: 1.139771564884631
Energy: 1.0571640179381616
Energy: 1.076592628899391
Energy: 1.0265102278540308
Energy: 1.076592628899391
Energy: 1.074510406339508
Energy: 0.9997879257593023
Energy: 0.9998271680371542
Energy: 0.9997879257593023

minimum gb energy = 0.9737853644413385 eV
minimum distance =  2.37757124806869 Angstroms
sigma value = 25


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

Energy: 1.0368142406751815
Energy: 1.1223708098773848
Energy: 1.1191576803032186
Energy: 1.122370809881902
Energy: 1.0203346779549847
Energy: 1.1612036531892853
Energy: 1.011842266624504
Energy: 1.1612036531892853
Energy: 1.0119344367906797
Energy: 1.1083171056859615
Energy: 1.0113639171499142
Energy: 1.1083171056859615
Energy: 1.0356878377818108
Energy: 1.1609336803096726
Energy: 1.1295274096151138
Energy: 1.1609336803096726
Energy: 1.126982357391955
Energy: 1.0215001055237918
Energy: 1.045595266897588
Energy: 1.0215001055237918
Energy: 1.014278213667225
Energy: 1.1765957960893805
Energy: 1.0127447872513071
Energy: 1.1765957960893805
Energy: 1.0446229233911697
Energy: 1.1590214493606452
Energy: 1.0116367240001547
Energy: 1.1590214493606452
Energy: 1.1154215695381147
Energy: 1.0127932418049077
Energy: 1.034704332904764
Energy: 1.0127932418003902
Energy: 1.0114525768315021
Energy: 1.1599507262669542
Energy: 1.022391392990966
Energy: 1.1599507262669542
Energy: 1.1556118626118563
Energy: 1.1754967139893187
Energy: 1.0128133049635555
Energy: 1.1754967139893187
Energy: 1.078270911690444
Energy: 1.0888957369641818
Energy: 1.2288882742347191
Energy: 1.0888957369641818
Energy: 1.0112159185745084
Energy: 1.0486482604099294
Energy: 1.1554590448141855
Energy: 1.0486482604099294
Energy: 1.1192538632119216
Energy: 1.0490405288276459
Energy: 1.0110978206498848
Energy: 1.0490405288276459
Energy: 1.0113819024290394
Energy: 1.1720389716622504
Energy: 1.0357838854468406
Energy: 1.1720389716622504
Energy: 1.0470100556484536
Energy: 1.0881168098124925
Energy: 1.1159976065623334
Energy: 1.0881168098124925
Energy: 1.0226134961555495
Energy: 1.1106202879385358
Energy: 1.014182556691716
Energy: 1.1106202879385358
Energy: 1.011754492552521
Energy: 1.100725060352713
Energy: 1.1542867908277294
Energy: 1.100725060352713

minimum gb energy = 1.0110978206498848 eV
minimum distance =  2.36090012764655 Angstroms
sigma value = 17


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

Energy: 1.1282087613887095
Energy: 1.1285139214581266
Energy: 1.2785310370781298
Energy: 1.1285139214581266
Energy: 1.173456970552119
Energy: 1.1063666066800106
Energy: 1.036893428975617
Energy: 1.1063666066800106
Energy: 1.152799290356981
Energy: 1.152471623774049
Energy: 1.0364781433390762
Energy: 1.152471623774049
Energy: 1.0379456876352164
Energy: 1.1625742189843744
Energy: 1.108047046269544
Energy: 1.1625742189843744
Energy: 1.176655326966815
Energy: 1.1231716581098554
Energy: 1.0575034692580838
Energy: 1.1231716581098554
Energy: 1.0467761843680798
Energy: 1.0739464791297932
Energy: 1.151882675205822
Energy: 1.0739464791297932
Energy: 1.039981555303373
Energy: 1.1457673963256958
Energy: 1.0368670270073896
Energy: 1.1457673963256958
Energy: 1.1516533751338567
Energy: 1.158918185005771
Energy: 1.0462826081089904
Energy: 1.158918185005771
Energy: 1.0497064018760924
Energy: 1.2218327490157703
Energy: 1.171813791626945
Energy: 1.2218327490157703
Energy: 1.2410577801166125
Energy: 1.1035295806803858
Energy: 1.0374503850462016
Energy: 1.1035295806803858
Energy: 1.038989426023287
Energy: 1.1582273325503536
Energy: 1.1558783203495666
Energy: 1.1582273325503536
Energy: 1.0458819747148314
Energy: 1.1422838214577251
Energy: 1.0454503016248915
Energy: 1.1422838214577251
Energy: 1.17291161866347
Energy: 1.125535869722213
Energy: 1.1246746333043165
Energy: 1.125535869722213
Energy: 1.0415257269452673
Energy: 1.2424452883158184
Energy: 1.16291776241636
Energy: 1.2424452883158184
Energy: 1.1177395618189923
Energy: 1.1477976556220097
Energy: 1.0498918320580546
Energy: 1.1477976556220097
Energy: 1.1533057421575688
Energy: 1.1591671358729234
Energy: 1.1523679273337528
Energy: 1.1591671358729234
Energy: 1.0374317254876355
Energy: 1.1403060746165714
Energy: 1.239130959351914
Energy: 1.1403060746157185
Energy: 1.1474795613474735
Energy: 1.1232832026019426
Energy: 1.0468755133387924
Energy: 1.1232832026019426
Energy: 1.0364161451328107
Energy: 1.1501708062686826
Energy: 1.1040443988801092
Energy: 1.1501708062686826
Energy: 1.0363875265067788
Energy: 1.1622719842359663
Energy: 1.0379985169208208
Energy: 1.1622719842351135
Energy: 1.0938261676978651
Energy: 1.153205062470123
Energy: 1.152298378359521
Energy: 1.153205062470123
Energy: 1.0371782345940048
Energy: 1.210778445536434
Energy: 1.2409235855291236
Energy: 1.210778445536434
Energy: 1.1655625011591597
Energy: 1.1595226527097764
Energy: 1.0360924292311817
Energy: 1.1595226527097764
Energy: 1.0447588206949698
Energy: 1.1472125012516114
Energy: 1.1690816770149304
Energy: 1.1472125012516114
Energy: 1.0445879752949552
Energy: 1.1526353480764278
Energy: 1.1672605353438381
Energy: 1.1526353480764278
Energy: 1.1679864602656966
Energy: 1.159927746936526
Energy: 1.037002621987806
Energy: 1.159927746936526
Energy: 1.0570604852808203
Energy: 1.1849692403684664
Energy: 1.2645164223553262
Energy: 1.1849692403684664
Energy: 1.151356430376635
Energy: 1.0734165581718065
Energy: 1.1535161770229707
Energy: 1.0734165581718065
Energy: 1.2390809185339267
Energy: 1.2315131913255581
Energy: 1.0398547891853764
Energy: 1.2315131913255581
Energy: 1.0463231603094392
Energy: 1.1790876169780893
Energy: 1.1497225812332064
Energy: 1.1790876169780893

minimum gb energy = 1.0360924292311817 eV
minimum distance =  2.27377978424387 Angstroms
sigma value = 53


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

Energy: 0.9854678854883892
Energy: 0.9852846909742493
Energy: 1.2458813198861323
Energy: 0.9852846909742493
Energy: 1.1650079519462246
Energy: 1.068913091112362
Energy: 0.9980952069357494
Energy: 1.068913091112362
Energy: 0.9858242530701224
Energy: 0.984377965447524
Energy: 1.1473540336828807
Energy: 0.984377965447524
Energy: 0.9859091623614288
Energy: 0.9844061279567896
Energy: 1.1018185159337834
Energy: 0.9844061279567896
Energy: 1.1649144608294055
Energy: 1.068745958436246
Energy: 0.9973971352183266
Energy: 1.068745958436246
Energy: 0.9854678854883892
Energy: 0.9852846909742493
Energy: 1.303806994262045
Energy: 0.9852846909742493
Energy: 1.1650079519462246
Energy: 1.068913091112362
Energy: 1.1019369629797942
Energy: 1.068913091112362
Energy: 0.9858242530701224
Energy: 0.984377965447524
Energy: 1.1473540336828807
Energy: 0.984377965447524
Energy: 0.9859091623614288
Energy: 0.9844061279567896
Energy: 1.17174893244281
Energy: 0.9844061279567896
Energy: 1.1649144608294055
Energy: 1.068745958436246
Energy: 1.100657206632641
Energy: 1.068745958436246
Energy: 0.9854678854883892
Energy: 0.9852846909742493
Energy: 1.3038069191654809
Energy: 0.9852846909742493
Energy: 1.1650079519462246
Energy: 1.068913091112362
Energy: 1.1475637750571537
Energy: 1.068913091112362
Energy: 0.9858242530701224
Energy: 0.984377965447524
Energy: 1.1473540336828807
Energy: 0.984377965447524

minimum gb energy = 0.984377965447524 eV
minimum distance =  2.33457812423772 Angstroms
sigma value = 9


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

Energy: 1.0805003804573143
Energy: 1.2225379803090795
Energy: 1.3717991528330642
Energy: 1.2225379803090795
Energy: 1.221374058586633
Energy: 1.130558869923417
Energy: 1.0847970696490061
Energy: 1.130558869923417
Energy: 1.07235296139567
Energy: 1.0712881649849706
Energy: 1.0759450128364665
Energy: 1.0712881649849706
Energy: 1.1907841765187557
Energy: 1.2615268380367264
Energy: 1.084423178610989
Energy: 1.2615268380367264
Energy: 1.210042473982423
Energy: 1.1289334929792445
Energy: 1.086683907191966
Energy: 1.1289334929792445
Energy: 1.0699932840031274
Energy: 1.070332576568124
Energy: 1.2023231942405903
Energy: 1.070332576568124
Energy: 1.3624681750997272
Energy: 1.1252180781683476
Energy: 1.081669354050404
Energy: 1.1252180781683476
Energy: 1.0771741196222817
Energy: 1.1497498347673731
Energy: 1.2021120039383615
Energy: 1.1497498347673731
Energy: 1.0739900790647572
Energy: 1.1601738375786161
Energy: 1.074905392665395
Energy: 1.1601738375778896
Energy: 1.0738462991830888
Energy: 1.1267655366810891
Energy: 1.0775563850202943
Energy: 1.1267655366810891
Energy: 1.077541790685561
Energy: 1.1524758765317877
Energy: 1.3566674050437368
Energy: 1.1524758765317877
Energy: 1.2154634270979703
Energy: 1.219171479635237
Energy: 1.0772384253128529
Energy: 1.2191714796359634
Energy: 1.074346390112121
Energy: 1.1483277834591827
Energy: 1.2762316674559484
Energy: 1.1483277834591827
Energy: 1.1926842142084793
Energy: 1.1983905564481703
Energy: 1.0828192008863087
Energy: 1.1983905564481703
Energy: 1.0793226163178347
Energy: 1.2020596814058768
Energy: 1.1957557650521247
Energy: 1.2020596814058768
Energy: 1.0768870389085878
Energy: 1.270982246323794
Energy: 1.1969806957713796
Energy: 1.270982246323794
Energy: 1.1373990252467854
Energy: 1.203438831173026
Energy: 1.079033561831806
Energy: 1.203438831173026
Energy: 1.0794090663872373
Energy: 1.1253174861584825
Energy: 1.2070188497668373
Energy: 1.1253174861584825
Energy: 1.2020751277595607
Energy: 1.1499898527866554
Energy: 1.0707450747374057
Energy: 1.149989852785929
Energy: 1.0775396412390288
Energy: 1.1373003484517925
Energy: 1.149336103154416
Energy: 1.1373003484517925
Energy: 1.1985997102521602
Energy: 1.2629385082671485
Energy: 1.192572273213781
Energy: 1.2629385082671485
Energy: 1.1612966758039167
Energy: 1.1948398769733486
Energy: 1.074485838461092
Energy: 1.1948398769733486
Energy: 1.0749032012920172
Energy: 1.209236272485892
Energy: 1.0754343397927228
Energy: 1.209236272485892
Energy: 1.3688594102559621
Energy: 1.148418298795282
Energy: 1.0760473601318106
Energy: 1.148418298795282
Energy: 1.0815241872979857
Energy: 1.2303491058278109
Energy: 1.3079252844034213
Energy: 1.2303491058278109
Energy: 1.140238788637286
Energy: 1.071079991096627
Energy: 1.0725036531312087
Energy: 1.071079991096627
Energy: 1.1999065282247365
Energy: 1.2032675624050173
Energy: 1.1906522998873825
Energy: 1.203267562405744
Energy: 1.0859078025895528
Energy: 1.2626184173600277
Energy: 1.190182198015522
Energy: 1.2626184173600277
Energy: 1.1408108294081274
Energy: 1.070766465410877
Energy: 1.072152383906925
Energy: 1.070766465410877
Energy: 1.0844440555660975
Energy: 1.2306668219694659
Energy: 1.3067771636864605
Energy: 1.2306668219701924
Energy: 1.2973465717188408
Energy: 1.1485004334733513
Energy: 1.0757160905699583
Energy: 1.1485004334740778
Energy: 1.0762156731426513
Energy: 1.1260359829966087
Energy: 1.0735140071818996
Energy: 1.1260359829966087
Energy: 1.0771247039014713
Energy: 1.1956155865192688
Energy: 1.0732156082459865
Energy: 1.1956155865192688
Energy: 1.199409054106916
Energy: 1.2672277033927897
Energy: 1.1907512701162557
Energy: 1.2672277033920634
Energy: 1.0797036099262625
Energy: 1.2356694302700473
Energy: 1.362756908973195
Energy: 1.2356694302700473

minimum gb energy = 1.0699932840031274 eV
minimum distance =  2.29175709550258 Angstroms
sigma value = 73


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

Energy: 1.1485772624963093
Energy: 1.1455489282849145
Energy: 1.3628587728668007
Energy: 1.1455489282849145
Energy: 1.1536328272841263
Energy: 1.1643032965035751
Energy: 1.0753803194415803
Energy: 1.1643032965035751
Energy: 1.0864165088179052
Energy: 1.136843847477863
Energy: 1.0770512366322507
Energy: 1.136843847477863
Energy: 1.0788916968254216
Energy: 1.0861500741454322
Energy: 1.0963593791410213
Energy: 1.0861500741454322
Energy: 1.136890385494674
Energy: 1.1649976841643073
Energy: 1.0916872515054914
Energy: 1.1649976841643073
Energy: 1.0925849713283113
Energy: 1.0774857521875638
Energy: 1.2752909091756879
Energy: 1.0774857521875638
Energy: 1.3512440898994431
Energy: 1.225315898650009
Energy: 1.0869124512738164
Energy: 1.225315898650009
Energy: 1.0794445531104764
Energy: 1.0727592142853468
Energy: 1.2778295618054205
Energy: 1.0727592142853468
Energy: 1.3232120996462753
Energy: 1.0733232819575376
Energy: 1.0752115582870732
Energy: 1.0733232819575376
Energy: 1.0850781412150918
Energy: 1.1608621549802542
Energy: 1.080982327146451
Energy: 1.1608621549802542
Energy: 1.080647026119444
Energy: 1.0728838523685182
Energy: 1.2674117539184966
Energy: 1.0728838523685182
Energy: 1.2032707644762528
Energy: 1.08665999377542
Energy: 1.0796036355863363
Energy: 1.08665999377542
Energy: 1.0913783963008281
Energy: 1.1497845121500156
Energy: 1.2653456890061299
Energy: 1.1497845121500156
Energy: 1.304678320611536
Energy: 1.2150377916175563
Energy: 1.096092136431105
Energy: 1.2150377916175563
Energy: 1.0716507245153006
Energy: 1.2384557622546144
Energy: 1.259281158478079
Energy: 1.2384557622546144
Energy: 1.2693086474750837
Energy: 1.0728262051484532
Energy: 1.0809828437634998
Energy: 1.0728262051484532
Energy: 1.145547684940578
Energy: 1.1443095174842828
Energy: 1.0872010693456005
Energy: 1.1443095174842828
Energy: 1.1446155889490033
Energy: 1.146487933036687
Energy: 1.0882762003795068
Energy: 1.146487933036687
Energy: 1.0745433194609586
Energy: 1.0734555057321222
Energy: 1.0794597202500098
Energy: 1.0734555057321222
Energy: 1.089141529057738
Energy: 1.1697707537270154
Energy: 1.3049772045128432
Energy: 1.1697707537270154
Energy: 1.303295930068196
Energy: 1.0775906006209746
Energy: 1.0931508859737467
Energy: 1.0775906006209746
Energy: 1.0965789455245103
Energy: 1.1620912754801038
Energy: 1.2084264439176156
Energy: 1.1620912754801038

minimum gb energy = 1.0716507245153006 eV
minimum distance =  2.29652971939272 Angstroms
sigma value = 7


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

Energy: 1.1001759043024908
Energy: 1.100619047274907
Energy: 1.3691346969187195
Energy: 1.100619047274907
Energy: 1.1970272655320084
Energy: 1.1183918004638016
Energy: 1.0788145609441684
Energy: 1.1183918004638016
Energy: 1.0810850441111408
Energy: 1.0995428364279767
Energy: 1.1001346027747625
Energy: 1.0995428364279767
Energy: 1.115442584305495
Energy: 1.165083607459151
Energy: 1.0789234147167377
Energy: 1.165083607459151
Energy: 1.080449062215892
Energy: 1.1479827518673207
Energy: 1.0909393607300428
Energy: 1.1479827518673207
Energy: 1.0808925343721625
Energy: 1.1001351482379114
Energy: 1.3014901589829448
Energy: 1.1001351482379114
Energy: 1.2039217980668135
Energy: 1.2008892196547432
Energy: 1.09911652746605
Energy: 1.2008892196547432
Energy: 1.0805828464372567
Energy: 1.1000404537868218
Energy: 1.3317074340774355
Energy: 1.100040453787637
Energy: 1.2275241565470532
Energy: 1.1552317084298938
Energy: 1.0874690444178097
Energy: 1.1552317084298938
Energy: 1.0750970637958992
Energy: 1.1722337968613736
Energy: 1.1914852237889977
Energy: 1.1722337968613736
Energy: 1.1147613762295905
Energy: 1.2459386872248945
Energy: 1.1117516758455712
Energy: 1.2459386872248945
Energy: 1.1096251403797774
Energy: 1.1482490935306346
Energy: 1.1164269497393315
Energy: 1.1482490935306346
Energy: 1.103541440499009
Energy: 1.1023093239359152
Energy: 1.1126218006671837
Energy: 1.1023093239359152
Energy: 1.098800593187946
Energy: 1.0963362005702606
Energy: 1.1178539041244044
Energy: 1.0963362005702606
Energy: 1.0732181444507463
Energy: 1.2614125122455804
Energy: 1.214570732277224
Energy: 1.2614125122455804
Energy: 1.3877124032823203
Energy: 1.0952851148192142
Energy: 1.0887783815940082
Energy: 1.0952851148192142
Energy: 1.0730750909633096
Energy: 1.147081314941488
Energy: 1.1516589208280816
Energy: 1.147081314941488
Energy: 1.0893895058318943
Energy: 1.250900441285758
Energy: 1.11556989780922
Energy: 1.250900441285758
Energy: 1.0728846676299126
Energy: 1.100844836853816
Energy: 1.1141629663958244
Energy: 1.100844836853816
Energy: 1.074766942202396
Energy: 1.1505770928394319
Energy: 1.1147951356642967
Energy: 1.1505770928394319
Energy: 1.1144879075240137
Energy: 1.1073790952851423
Energy: 1.0877273481953984
Energy: 1.1073790953104155
Energy: 1.0803030601249624
Energy: 1.0994558807012353
Energy: 1.1928224867598414
Energy: 1.0994558807012353
Energy: 1.3101780210564238
Energy: 1.1554834035004424
Energy: 1.1054962250081952
Energy: 1.1554834035004424
Energy: 1.1007988467489633
Energy: 1.099732893947749
Energy: 1.3071766729576098
Energy: 1.099732893947749
Energy: 1.1001589874630229
Energy: 1.1509886173124664
Energy: 1.1108723239183584
Energy: 1.1509886173124664
Energy: 1.1154848068898828
Energy: 1.0997804785729213
Energy: 1.1103746231984652
Energy: 1.0997804785729213
Energy: 1.0816029677278831
Energy: 1.1675275790467259
Energy: 1.1972880131059953
Energy: 1.1675275790467259
Energy: 1.1228194178220356
Energy: 1.1469307537221098
Energy: 1.0786189719300165
Energy: 1.1469307537221098
Energy: 1.0819146289634796
Energy: 1.100212449610896
Energy: 1.2285979687476618
Energy: 1.1002124496100807
Energy: 1.1001363537101878
Energy: 1.1102514925523435
Energy: 1.0790478927676639
Energy: 1.1102514925523435
Energy: 1.0819169951365342
Energy: 1.1009163179806463
Energy: 1.263883330866327
Energy: 1.1009163179806463

minimum gb energy = 1.0728846676299126 eV
minimum distance =  2.27734422950561 Angstroms
sigma value = 29


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

Energy: 1.0528725452918448
Energy: 1.0487008310583308
Energy: 1.141711193772013
Energy: 1.0487008310583308
Energy: 1.021170040602002
Energy: 1.056262667971399
Energy: 1.0554527470987922
Energy: 1.056262667971399
Energy: 1.0240126824679776
Energy: 1.103815020810959
Energy: 1.1412041854176609
Energy: 1.103815020810675
Energy: 1.0546439208419425
Energy: 1.0222154259477954
Energy: 1.055978297085142
Energy: 1.0222154259480793
Energy: 1.0529699001930064
Energy: 1.08592177576141
Energy: 1.1414160091488723
Energy: 1.0859217757611261
Energy: 1.0516949950723593
Energy: 1.1042208063448153
Energy: 1.0515023274053683
Energy: 1.1042208063448153
Energy: 1.023754991717835
Energy: 1.085593533818373
Energy: 1.0529685044045576
Energy: 1.085593533818657
Energy: 1.0559731776141879
Energy: 1.0217394972758143
Energy: 1.0547255483767877
Energy: 1.021739497275278
Energy: 1.1412094135813746
Energy: 1.1038409509334481
Energy: 1.0237971501171679
Energy: 1.1038409509334481

minimum gb energy = 1.021170040602002 eV
minimum distance =  2.33098228562689 Angstroms
sigma value = 5


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

Energy: 1.0251936003313222
Energy: 1.0423739367292895
Energy: 1.1732052810350986
Energy: 1.0423739367292895
Energy: 1.0292896000594225
Energy: 1.0611444628753635
Energy: 1.0087050196562506
Energy: 1.0611444628753635
Energy: 0.9984524065392049
Energy: 1.0357693096563287
Energy: 1.18148710345749
Energy: 1.0357693096563287
Energy: 1.0140287912984505
Energy: 1.0841521296664034
Energy: 1.0118047432806176
Energy: 1.0841521296664034
Energy: 1.010131508335585
Energy: 1.0909078837378492
Energy: 1.1830735001348607
Energy: 1.0909078837378492
Energy: 1.0676337827583822
Energy: 1.0448472140833445
Energy: 0.9924537838922048
Energy: 1.0448472140833445
Energy: 1.0004126904564732
Energy: 1.0888523641670655
Energy: 0.9916028075329779
Energy: 1.0888523641670655
Energy: 0.9971313336666879
Energy: 1.0463653211994786
Energy: 1.000257826910912
Energy: 1.0463653211994786
Energy: 1.0104604977972544
Energy: 1.0891314037828712
Energy: 0.9994939967177751
Energy: 1.0891314037828712
Energy: 1.006128089056873
Energy: 1.089358160816573
Energy: 1.0087304504818466
Energy: 1.0893581608158027
Energy: 1.022386918589349
Energy: 1.0458470384328957
Energy: 0.9998027868716199
Energy: 1.0458470384321255
Energy: 1.0072283965912379
Energy: 1.1018302612520547
Energy: 1.0429992458902937
Energy: 1.1018302612520547
Energy: 1.0390577273657937
Energy: 1.0434566204369813
Energy: 1.0342136767756944
Energy: 1.043456620436211
Energy: 1.0095084949540603
Energy: 1.043642863353186
Energy: 1.0286347854525268
Energy: 1.0436428633539563
Energy: 1.0235870135079557
Energy: 1.085467901876521
Energy: 0.9996357123168242
Energy: 1.085467901876521
Energy: 1.0052435512135593
Energy: 1.0355218592031037
Energy: 1.0278490320814408
Energy: 1.0355218592038737
Energy: 1.170726154238629
Energy: 1.1039332335062593
Energy: 1.0188978913709867
Energy: 1.1039332335062593
Energy: 1.0128425781938417
Energy: 1.0435056349474385
Energy: 1.1406354592229677
Energy: 1.0435056349474385
Energy: 1.0081377888769938
Energy: 1.0906997585055598
Energy: 0.9937035025746109
Energy: 1.0906997585055598
Energy: 1.0017954837685796
Energy: 1.0854161458169316
Energy: 1.0172739419336676
Energy: 1.0854161458169316
Energy: 1.0112394912035017
Energy: 1.0443102640381168
Energy: 1.0030828180216604
Energy: 1.0443102640373467
Energy: 1.0207687706353898
Energy: 1.08951582663894
Energy: 1.0003110647614766
Energy: 1.08951582663894
Energy: 0.9937487112410921
Energy: 1.0450928630774192
Energy: 0.993369952794541
Energy: 1.0450928630774192
Energy: 1.0421043773985101
Energy: 1.043516144750075
Energy: 0.999972249983342
Energy: 1.043516144749305
Energy: 1.053782183362593
Energy: 1.0319854437678948
Energy: 1.001424860850086
Energy: 1.0319854437671248
Energy: 1.0300627538960028
Energy: 1.0437389334004095
Energy: 1.0097094588224294
Energy: 1.0437389334004095
Energy: 0.9960987987749188
Energy: 1.0770826281191583
Energy: 1.0211582350461375
Energy: 1.0770826281191583
Energy: 1.0536160452951888
Energy: 1.0684339328535457
Energy: 1.0051662637713819
Energy: 1.0684339328535457
Energy: 1.00144672424445
Energy: 1.0616190830437071
Energy: 1.174885736653807
Energy: 1.0616190830437071
Energy: 1.1136635408284912
Energy: 1.0428821614350126
Energy: 1.0072890170403535
Energy: 1.0428821614350126
Energy: 0.9996783564269115
Energy: 1.017709641700825
Energy: 1.1426375144223575
Energy: 1.017709641700825
Energy: 1.1698472743347959
Energy: 1.067852284594676
Energy: 1.0015505966396716
Energy: 1.067852284594676
Energy: 1.0075182724135117
Energy: 1.0685441082644282
Energy: 0.9953439075964831
Energy: 1.0685441082644282

minimum gb energy = 0.9916028075329779 eV
minimum distance =  2.28018163084057 Angstroms
sigma value = 1


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

Energy: 0.9995397140846344
Energy: 0.9986887729544022
Energy: 1.1407058135347097
Energy: 0.9986887729544022
Energy: 1.0212678515445912
Energy: 1.0149745266759322
Energy: 0.9690478456253105
Energy: 1.0149745266759322
Energy: 0.9464921989010878
Energy: 0.9989314232998717
Energy: 1.2938963446900291
Energy: 0.9989314232998717
Energy: 1.0083759622826944
Energy: 1.0623377162817553
Energy: 0.9609793645046114
Energy: 1.0623377162817553
Energy: 0.9466003285051419
Energy: 1.0913826268707247
Energy: 0.9886043265030171
Energy: 1.0913826268707247
Energy: 0.9429822388482081
Energy: 1.0026912891769062
Energy: 0.959545380760322
Energy: 1.0026912891769062
Energy: 0.9465639801950222
Energy: 1.0925068821728499
Energy: 0.9953513124695859
Energy: 1.0925068821728499
Energy: 0.9469340719860777
Energy: 1.0025808378671952
Energy: 0.9977669197895224
Energy: 1.0025808378671952
Energy: 0.9984559644544109
Energy: 0.9946315801384251
Energy: 0.9771148701987438
Energy: 0.9946315801394898
Energy: 0.9984541163253502
Energy: 0.9946319747487073
Energy: 0.9978712889633851
Energy: 0.9946319747487073
Energy: 0.9467175964238721
Energy: 1.0027261690185654
Energy: 0.9776685462360751
Energy: 1.0027261690185654
Energy: 0.9466158728099202
Energy: 1.0924475880001216
Energy: 0.983209665137457
Energy: 1.0924475880001216
Energy: 0.9429602832891277
Energy: 1.0027745843562028
Energy: 0.9595290827050873
Energy: 1.0027745843562028
Energy: 0.9465990949612966
Energy: 1.0913994903484165
Energy: 1.1155980456769352
Energy: 1.0913994903484165
Energy: 1.0086553785925179
Energy: 1.0620760656846056
Energy: 0.9613034659873457
Energy: 1.0620760656846056
Energy: 0.9464878461696733
Energy: 0.9990237616496396
Energy: 1.164799674451755
Energy: 0.9990237616496396
Energy: 1.0212123655748007
Energy: 1.0149452672736765
Energy: 0.969034735381828
Energy: 1.0149452672736765
Energy: 0.9995397140846344
Energy: 0.9986887729544022
Energy: 1.165277139419816
Energy: 0.9986887729544022
Energy: 1.0212678515445912
Energy: 1.0149745266759322
Energy: 0.9690478456253105
Energy: 1.0149745266759322
Energy: 0.9464921989010878
Energy: 0.9989314232998717
Energy: 1.2938963446900291
Energy: 0.9989314232998717
Energy: 1.0083759622826944
Energy: 1.0623377162817553
Energy: 0.9609793645046114
Energy: 1.0623377162817553
Energy: 0.9466003285051419
Energy: 1.0913826268707247
Energy: 0.9886043265030171
Energy: 1.0913826268707247
Energy: 0.9429822388482081
Energy: 1.0026912891769062
Energy: 0.959545380760322
Energy: 1.0026912891769062
Energy: 0.9465639801950222
Energy: 1.0925068821728499
Energy: 0.9953513124695859
Energy: 1.0925068821728499

minimum gb energy = 0.9429602832891277 eV
minimum distance =  2.30255247906186 Angstroms
sigma value = 17


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

Energy: 0.98872710783103
Energy: 0.9878440865235012
Energy: 1.2365547213444223
Energy: 0.9878440865235012
Energy: 1.1476115914773293
Energy: 0.9754973964079551
Energy: 0.9572957229085666
Energy: 0.9754973964072969
Energy: 0.9544985523670394
Energy: 0.9767851494696331
Energy: 1.1738455548493725
Energy: 0.9767851494702914
Energy: 1.0100926796610707
Energy: 1.1257436290647924
Energy: 0.9525490138644461
Energy: 1.1257436290654506
Energy: 0.9476031027623621
Energy: 1.0505490910962685
Energy: 0.9845134837111713
Energy: 1.0505490910969266
Energy: 0.9450746639457923
Energy: 1.135058315798755
Energy: 0.9659379720917308
Energy: 1.135058315798097
Energy: 0.9602775522941375
Energy: 1.0347202653695742
Energy: 0.9768907589406723
Energy: 1.0347202653689158
Energy: 0.9443090695852533
Energy: 1.143416468815636
Energy: 0.9532137726346639
Energy: 1.143416468815636
Energy: 0.9867745669661367
Energy: 1.1444724628547525
Energy: 0.9883764159327673
Energy: 1.1444724628540945
Energy: 0.9894512892620362
Energy: 1.1431180125102507
Energy: 0.9572285910954893
Energy: 1.1431180125102507
Energy: 0.9540295501308839
Energy: 1.1268258827024944
Energy: 0.9505730793982302
Energy: 1.1268258827024944
Energy: 0.9566795513791223
Energy: 1.0277446472243523
Energy: 0.9607425812258379
Energy: 1.0277446472243523
Energy: 0.9434681164096037
Energy: 1.2812419606399184
Energy: 0.9649449101019649
Energy: 1.2812419606399184
Energy: 0.9560316724842359
Energy: 1.0492520233148133
Energy: 0.987225776922027
Energy: 1.0492520233148133
Energy: 0.9541770224527227
Energy: 1.12883953963907
Energy: 0.9964899814611623
Energy: 1.12883953963907
Energy: 0.9537127043868048
Energy: 0.9777946801052203
Energy: 0.9869870137226325
Energy: 0.9777946801052203
Energy: 0.9875692110328614
Energy: 1.1282291888878548
Energy: 0.9568280286686217
Energy: 1.1282291888878548
Energy: 0.9488220572562949
Energy: 0.9885648951293209
Energy: 0.9630143484086806
Energy: 0.9885648951286627
Energy: 1.103706781385155
Energy: 1.0321861301088875
Energy: 0.9568025163726782
Energy: 1.0321861301088875
Energy: 0.9618126647205487
Energy: 0.9772321742831489
Energy: 1.0023921313902409
Energy: 0.9772321742831489
Energy: 0.9719131261397589
Energy: 0.9680403203733884
Energy: 0.9635851899689905
Energy: 0.9680403203727302
Energy: 0.9491045865524113
Energy: 0.9890432239527803
Energy: 1.0309213036532157
Energy: 0.9890432239534384
Energy: 0.9793091521055919
Energy: 1.1343740998570893
Energy: 0.9633512835639735
Energy: 1.1343740998577474
Energy: 0.9534662886504031
Energy: 1.0362898300231835
Energy: 1.1326685793863784
Energy: 1.0362898300225252
Energy: 0.9751833117804798
Energy: 0.9891515315646064
Energy: 0.9504089896111273
Energy: 0.9891515315646064
Energy: 0.961445869535319
Energy: 1.0519134166792306
Energy: 0.9690339658868384
Energy: 1.0519134166792306
Energy: 1.1013000328297917
Energy: 1.0168016606729433
Energy: 0.9548835620011193
Energy: 1.0168016606729433
Energy: 1.0004897305650788
Energy: 1.1293779095344276
Energy: 0.952694384172626
Energy: 1.1293779095344276
Energy: 1.0040464953602735
Energy: 1.0487978297976237
Energy: 0.9594624971983292
Energy: 1.0487978297976237
Energy: 0.9620092828181595
Energy: 1.1369486504199102
Energy: 1.0002998290709029
Energy: 1.1369486504199102
Energy: 0.9515789610362003
Energy: 1.0489284534708192
Energy: 0.9598474798711673
Energy: 1.0489284534708192
Energy: 0.9525959209504029
Energy: 1.125793409754999
Energy: 0.9512354264234125
Energy: 1.125793409754999
Energy: 0.9553971276929266
Energy: 0.9699989512283047
Energy: 1.1217510182368402
Energy: 0.9699989512283047
Energy: 1.0016441683966577
Energy: 1.1435382714373485
Energy: 0.9723436054028242
Energy: 1.1435382714373485
Energy: 0.9494589835084637
Energy: 0.9893020881891997
Energy: 0.9844824402939988
Energy: 0.9893020881891997
Energy: 0.9819918665681787
Energy: 1.0361800668514292
Energy: 0.9590613094134759
Energy: 1.0361800668514292
Energy: 0.9635086799250742
Energy: 1.1358432409285832
Energy: 0.94789066945619
Energy: 1.1358432409285832
Energy: 0.9833172854425146
Energy: 1.0519950841457886
Energy: 0.9632745312833266
Energy: 1.0519950841457886

minimum gb energy = 0.9434681164096037 eV
minimum distance =  2.29459045085323 Angstroms
sigma value = 89


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

Energy: 0.8753169640175714
Energy: 0.8751357466443492
Energy: 1.4226602378771036
Energy: 0.8751357466443492
Energy: 0.8868526436778005
Energy: 0.9039121384686473
Energy: 0.8876552093578947
Energy: 0.9039121384686473
Energy: 0.8855680615493122
Energy: 1.0347889507259773
Energy: 1.4214930548189548
Energy: 1.0347889507276993
Energy: 0.8737451406289729
Energy: 0.9039343745619691
Energy: 0.8875531710143435
Energy: 0.9039343745619691
Energy: 0.8857967846721401
Energy: 0.9660737956309491
Energy: 0.8751706869317334
Energy: 0.9660737956326709
Energy: 0.8850253243454501
Energy: 0.876578386995391
Energy: 0.8779827386928586
Energy: 0.876578386995391
Energy: 0.885947599851264
Energy: 1.0346953719978471
Energy: 0.8751819011091357
Energy: 1.0346953719978471
Energy: 0.8850165425876836
Energy: 1.1569152471954005
Energy: 0.8875084456147214
Energy: 1.1569152471954005
Energy: 0.8862826491016776
Energy: 0.9667990353241275
Energy: 0.871964544848246
Energy: 0.9667990353241275
Energy: 0.9037597660299856
Energy: 0.875639344884702
Energy: 0.8849979108685739
Energy: 0.875639344884702
Energy: 0.8746307789375197
Energy: 0.9048407793140862
Energy: 0.8851918258038672
Energy: 0.9048407793140862
Energy: 0.8747265831119101
Energy: 1.0355825395636782
Energy: 0.8873547194418936
Energy: 1.0355825395636782
Energy: 0.8855738608314568
Energy: 0.8782585995646944
Energy: 0.8829639789634033
Energy: 0.8782585995646944
Energy: 0.8850455207854396
Energy: 0.9638452280188858
Energy: 0.8851736447766831
Energy: 0.9638452280188858
Energy: 0.8729827631055043
Energy: 0.8783739363746725
Energy: 0.8861485487982814
Energy: 0.8783739363746725

minimum gb energy = 0.871964544848246 eV
minimum distance =  2.31356398652446 Angstroms
sigma value = 13


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

Energy: 0.8694926455308881
Energy: 0.8396219035701035
Energy: 0.8368406647636661
Energy: 0.8396219035701035
Energy: 0.9966336504291975
Energy: 0.9992588486700276
Energy: 0.8342791732997683
Energy: 0.9992588486700276
Energy: 0.8407674930787377
Energy: 0.8399756423104254
Energy: 1.2079453271582623
Energy: 0.8399756423104254
Energy: 0.8506019311385552
Energy: 1.0000456820089683
Energy: 0.8297507827282732
Energy: 1.0000456820096901
Energy: 0.8494514470258934
Energy: 1.0433098620873615
Energy: 0.8740261018936789
Energy: 1.0433098620873615
Energy: 0.8288978505004643
Energy: 0.8608810431631174
Energy: 0.8498783255924434
Energy: 0.8608810431631174
Energy: 0.8497164058619451
Energy: 0.9078968510027674
Energy: 0.8697340716036631
Energy: 0.907896851003489
Energy: 0.8331571688340724
Energy: 0.9987221780954569
Energy: 0.8501015344230423
Energy: 0.9987221780940133
Energy: 0.8499553947401971
Energy: 0.9082612263388076
Energy: 0.983823287502897
Energy: 0.9082612263388076
Energy: 1.0039134422303961
Energy: 1.058272914906647
Energy: 0.8297221760190095
Energy: 1.058272914906647
Energy: 0.8495374047575484
Energy: 0.9252274831000232
Energy: 0.8337490209691875
Energy: 0.9252274831007451
Energy: 0.86862565395466
Energy: 1.058160932414275
Energy: 0.8358794801106535
Energy: 1.058160932414275
Energy: 0.8778358303000616
Energy: 0.8538168912040971
Energy: 0.846884383636443
Energy: 0.8538168912048189
Energy: 1.1366968727527726
Energy: 0.9244996902249276
Energy: 0.8281395296143891
Energy: 0.9244996902249276
Energy: 0.8496850004196942
Energy: 0.8400465272360406
Energy: 0.833723155485608
Energy: 0.8400465272367623
Energy: 0.8351236695644478
Energy: 0.9248334492154049
Energy: 0.830911911343911
Energy: 0.9248334492154049
Energy: 0.8457495497048849
Energy: 0.9009488586073539
Energy: 0.8314263102211679
Energy: 0.9009488586066321
Energy: 0.8468497967648401
Energy: 0.9055298990034407
Energy: 0.8594117962882226
Energy: 0.9055298990034407
Energy: 0.8455755630258104
Energy: 0.8545581612596388
Energy: 0.8594079229304742
Energy: 0.8545581612596388
Energy: 0.8455757724241731
Energy: 0.8543596624655952
Energy: 0.8593754091713668
Energy: 0.8543596624655952
Energy: 0.8470481154468344
Energy: 0.9054576830137048
Energy: 0.8593944013523623
Energy: 0.9054576830137048
Energy: 0.8456618560398125
Energy: 0.9008761095729318
Energy: 0.8316972809552129
Energy: 0.9008761095729318
Energy: 0.8351933740987288
Energy: 0.9247688880284354
Energy: 0.8307602695187168
Energy: 0.9247688880284354
Energy: 0.8496801459918961
Energy: 0.8396420344718882
Energy: 0.8302315581389889
Energy: 0.8396420344718882
Energy: 1.136397901047573
Energy: 0.9244010739657024
Energy: 0.8283210600566763
Energy: 0.9244010739657024
Energy: 0.8780865968329443
Energy: 0.8538687625672328
Energy: 0.8504799986964644
Energy: 0.8538687625672328
Energy: 0.8677997966672181
Energy: 1.0580565435916813
Energy: 0.8357629275563523
Energy: 1.0580565435924032
Energy: 0.8499380072627222
Energy: 0.9252140776210669
Energy: 0.8337869278821147
Energy: 0.9252140776210669
Energy: 0.9878852034783537
Energy: 1.0582286566598544
Energy: 0.8297189498448557
Energy: 1.0582286566598544
Energy: 0.8500044721722442
Energy: 0.9083237544995202
Energy: 0.9821727422127706
Energy: 0.9083237545002418
Energy: 0.8333466045175723
Energy: 0.9987957290033063
Energy: 0.8501089785887344
Energy: 0.9987957290033063
Energy: 0.8498316776583844
Energy: 0.9080423629716133
Energy: 1.1440975150751809
Energy: 0.9080423629716133
Energy: 0.8289042126567606
Energy: 0.8606103892893994
Energy: 0.850082137538625
Energy: 0.860610389290121
Energy: 0.8494349522509457
Energy: 1.0434792850914658
Energy: 0.8603290907050342
Energy: 1.0434792850914658
Energy: 0.8505970114951414
Energy: 0.9996260749759684
Energy: 0.8297956685303094
Energy: 0.9996260749766903

minimum gb energy = 0.8281395296143891 eV
minimum distance =  2.26775788233048 Angstroms
sigma value = 37


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

Energy: 0.7976939702660697
Energy: 0.7971189888124507
Energy: 0.7622752340782302
Energy: 0.7971189888124507
Energy: 0.8422870109404201
Energy: 0.7969599155069321
Energy: 0.7618779170958889
Energy: 0.7969599155069321
Energy: 0.7741136187260393
Energy: 0.90609570340197
Energy: 1.2743703760366094
Energy: 0.90609570340197
Energy: 0.7617409253164452
Energy: 1.0232605941996067
Energy: 0.7617042056148735
Energy: 1.0232605941996067
Energy: 0.7610462732174027
Energy: 0.7967850052762905
Energy: 0.7566894437133763
Energy: 0.7967850052762905
Energy: 0.7526420385505775
Energy: 0.7968684177414139
Energy: 0.7577101756198923
Energy: 0.796868417740172
Energy: 0.7850942573742742
Energy: 0.8349009485481361
Energy: 1.004432799707864
Energy: 0.8349009485481361
Energy: 0.760645650745415
Energy: 0.7978684911920413
Energy: 0.8002431747507873
Energy: 0.7978684911920413
Energy: 0.7612132568337816
Energy: 0.7969213014752893
Energy: 1.0042388627032601
Energy: 0.7969213014752893
Energy: 1.0438302927250989
Energy: 1.0981563589426973
Energy: 0.757843499672427
Energy: 1.0981563589426973
Energy: 0.784901145979007
Energy: 0.8345725495189246
Energy: 0.7552926617978688
Energy: 0.8345725495189246
Energy: 1.0394364337047926
Energy: 0.7971876096675051
Energy: 0.761802150122556
Energy: 0.7971876096675051
Energy: 0.7611275046990807
Energy: 0.7971296278902675
Energy: 0.7529038130681418
Energy: 0.7971296278902675
Energy: 1.0054979126444643
Energy: 0.834611678207198
Energy: 0.7607919817880312
Energy: 0.834611678207198
Energy: 0.7966124997191172
Energy: 0.8352821250517094
Energy: 0.7603338469306448
Energy: 0.8352821250517094
Energy: 0.797034743294395
Energy: 0.892961623392825
Energy: 0.762151290635281
Energy: 0.892961623392825
Energy: 0.7611174251815003
Energy: 0.8933842903591185
Energy: 0.7528978735427377
Energy: 0.8933842903591185
Energy: 0.7551583693262959
Energy: 0.9279711391977223
Energy: 0.7607526278482648
Energy: 0.9279711391977223
Energy: 0.763243527619079
Energy: 0.7984877725695059
Energy: 0.7604571352210189
Energy: 0.7984877725695059
Energy: 0.7559677319628418
Energy: 0.7976730795048675
Energy: 0.7550147474331745
Energy: 0.7976730795048675

minimum gb energy = 0.7526420385505775 eV
minimum distance =  2.32685825733559 Angstroms
sigma value = 25


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

Energy: 0.7344806472539038
Energy: 0.6940690770107529
Energy: 1.158124147189054
Energy: 0.6940690770107529
Energy: 0.9094948926502913
Energy: 0.7111500290334888
Energy: 0.6973604269792606
Energy: 0.7111500290334888
Energy: 0.6914183901381907
Energy: 0.691370823504716
Energy: 0.9116228912353521
Energy: 0.691370823504716
Energy: 0.7319431089520756
Energy: 0.8831178024980539
Energy: 0.6952121679428465
Energy: 0.8831178024990236
Energy: 0.6967331434351866
Energy: 0.8839373638586104
Energy: 0.6725907919886527
Energy: 0.8839373638586104
Energy: 0.6711773097914632
Energy: 0.883083613119415
Energy: 0.6952956422279383
Energy: 0.883083613119415
Energy: 0.6974273121366982
Energy: 0.8703544410980769
Energy: 0.7331208648510756
Energy: 0.8703544410980769
Energy: 0.6697281011880796
Energy: 0.7340129734665184
Energy: 0.6930327883947383
Energy: 0.7340129734665184
Energy: 0.6965981254943466
Energy: 0.7106594225337521
Energy: 0.9069932045841853
Energy: 0.7106594225279783
Energy: 0.6742190559867185
Energy: 0.8696785887315999
Energy: 0.7357390222463941
Energy: 0.8696785887315999
Energy: 0.6972908781963957
Energy: 0.6912392008237002
Energy: 1.0605407461214256
Energy: 0.6912392008237002
Energy: 0.8933799713387686
Energy: 0.9742895818249999
Energy: 0.6928755528370288
Energy: 0.9742895818269391
Energy: 0.6966242505389316
Energy: 0.7112440946787751
Energy: 0.8704874295566108
Energy: 0.7112440946787751
Energy: 0.9005874370332538
Energy: 0.9394479223245192
Energy: 0.6972962261101731
Energy: 0.9394479223245192
Energy: 0.6974951316273705
Energy: 0.6914336457536261
Energy: 0.6744475152156628
Energy: 0.6914336457536261
Energy: 0.8978711849074873
Energy: 0.9734726248738025
Energy: 0.6961800236410121
Energy: 0.9734726248728328
Energy: 0.6964812210967032
Energy: 0.7339650806457331
Energy: 0.6697448861398165
Energy: 0.7339650806457331
Energy: 0.885182769730014
Energy: 0.8832516391964584
Energy: 0.6973872870117668
Energy: 0.8832516391974281
Energy: 0.7397543838307058
Energy: 0.8702657869092587
Energy: 0.6750719021034973
Energy: 0.8702657869102284
Energy: 1.054611421409322
Energy: 0.9741954559362903
Energy: 0.6962872925595649
Energy: 0.9741954559362903
Energy: 0.6964371566193671
Energy: 0.9735120654798058
Energy: 0.6732059293718174
Energy: 0.9735120654798058
Energy: 0.6912046150593145
Energy: 0.7112442640496557
Energy: 0.6954385591465196
Energy: 0.7112442640496557
Energy: 0.6973573716679395
Energy: 0.7697492159921069
Energy: 0.9054439136224889
Energy: 0.7697492159921069
Energy: 0.6703619971048386
Energy: 0.8141425670917827
Energy: 0.695586169826606
Energy: 0.8141425670917827
Energy: 0.6954692520691217
Energy: 0.9730484741096224
Energy: 0.8992897398736406
Energy: 0.9730484741096224
Energy: 0.6715399647116104
Energy: 0.7340107467745738
Energy: 0.6983312785100336
Energy: 0.7340107467745738

minimum gb energy = 0.6697281011880796 eV
minimum distance =  2.32819981573411 Angstroms
sigma value = 41


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

Energy: 0.9280105545769002
Energy: 0.9315576352095095
Energy: 1.089943057124327
Energy: 0.9315576352095095
Energy: 0.954901200169364
Energy: 0.6299342324772997
Energy: 0.6222251001678076
Energy: 0.6299342324772997
Energy: 0.6430511071816742
Energy: 0.6200268985558288
Energy: 0.8141410313607075
Energy: 0.6200268985558288
Energy: 0.8053344869320286
Energy: 0.774284512464285
Energy: 0.622153276182753
Energy: 0.774284512464285
Energy: 0.6183295297894503
Energy: 0.9410697137500587
Energy: 0.895386445374763
Energy: 0.9410697137500587
Energy: 0.6427748235872623
Energy: 0.7747416001653352
Energy: 0.6222419914772152
Energy: 0.7747416001645403
Energy: 0.6213442542086134
Energy: 0.7741278815080613
Energy: 0.6294052258888373
Energy: 0.7741278815080613
Energy: 0.607378511442475
Energy: 0.6434072473114815
Energy: 0.6190903935838545
Energy: 0.6434072473114815
Energy: 0.6243137282479463
Energy: 0.7850286773407981
Energy: 0.8031085050674873
Energy: 0.7850286773431829
Energy: 0.6065987057731566
Energy: 0.7680808676712578
Energy: 0.6439356202716154
Energy: 0.7680808676712578
Energy: 0.6214280032840885
Energy: 0.774499316737185
Energy: 1.0609268408565755
Energy: 0.774499316737185
Energy: 0.6082356277590512
Energy: 0.7853973815904712
Energy: 0.9287031830636333
Energy: 0.7853973815904712
Energy: 0.6243036248117112
Energy: 0.846611426644889
Energy: 1.068705867148482
Energy: 0.8466114266464789
Energy: 0.7885066020371223
Energy: 0.7168430518621739
Energy: 0.6439951218481355
Energy: 0.7168430518621739
Energy: 0.6214689685871327
Energy: 0.629919734095206
Energy: 0.9264379546024255
Energy: 0.629919734095206
Energy: 0.7981669195574166
Energy: 0.7848150099533739
Energy: 0.619223204592549
Energy: 0.7848150099533739
Energy: 0.6242658128649904
Energy: 0.845577127913364
Energy: 0.7740805672597925
Energy: 0.8455771278990547
Energy: 0.7979653817395501
Energy: 0.708899389823165
Energy: 0.6221980261042807
Energy: 0.708899389823165
Energy: 0.6213667593116817
Energy: 0.6438265939171326
Energy: 0.6196441611495721
Energy: 0.6438265939171326
Energy: 0.8060722564551699
Energy: 0.7850475052596672
Energy: 0.6271870630922285
Energy: 0.7850475052318798
Energy: 0.6462768311524331
Energy: 0.7083938858573223
Energy: 0.6065520875467553
Energy: 0.7083938858565273
Energy: 1.0656320809689361
Energy: 0.7249933611737276
Energy: 0.6222653693201281
Energy: 0.7249933611753175
Energy: 0.9305710098555452
Energy: 0.7863306319307702
Energy: 0.613646577136051
Energy: 0.7863306319307702
Energy: 0.9286403958323314
Energy: 0.8464927937812882
Energy: 0.6271294733222808
Energy: 0.8464927931193739
Energy: 0.6462563705159589
Energy: 0.7116833684905552
Energy: 0.6063546927463107
Energy: 0.7116833684913503
Energy: 0.929811196049853
Energy: 0.7248831564369281
Energy: 0.6223502846855705
Energy: 0.7248831564504065
Energy: 0.621486861579236
Energy: 0.7849908255150568
Energy: 0.811824341547523
Energy: 0.7849908255198267
Energy: 0.6189740784830706
Energy: 0.7080661472380732
Energy: 0.6264765986670988
Energy: 0.7080661472380732
Energy: 0.6246367233278941
Energy: 0.7118683672230485
Energy: 0.8084057607986969
Energy: 0.7118683672230485
Energy: 0.6109170240787863
Energy: 0.8775952595962792
Energy: 0.6253261151347859
Energy: 0.8775952595962792
Energy: 0.6268694756707895
Energy: 0.7850911735401642
Energy: 0.8077697323849313
Energy: 0.7850911735409593
Energy: 0.6075509845403735
Energy: 0.7079970753762561
Energy: 0.6497727589451338
Energy: 0.7079970753762561

minimum gb energy = 0.6063546927463107 eV
minimum distance =  2.32286294700325 Angstroms
sigma value = 15


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

Energy: 0.8402420362573741
Energy: 0.584334245750897
Energy: 1.0193236823374368
Energy: 0.5843342457515704
Energy: 0.9646192591243692
Energy: 0.5817894020953377
Energy: 0.582017487064851
Energy: 0.5817894020953377
Energy: 0.6029984938128435
Energy: 0.5807121231433734
Energy: 1.0057640486149364
Energy: 0.5807121231420264
Energy: 0.8536352888802892
Energy: 0.5824779337396331
Energy: 0.581997437510493
Energy: 0.5824779337147156
Energy: 0.5795568146949832
Energy: 0.6405158617025771
Energy: 0.8601337105188311
Energy: 0.6405158616992711
Energy: 0.8527635343580329
Energy: 0.7020412961483854
Energy: 0.5820417679297182
Energy: 0.7020412961490589
Energy: 0.5812362014705087
Energy: 0.8337125973996871
Energy: 0.5798586636276111
Energy: 0.8337125973996871
Energy: 0.6966371245325468
Energy: 0.7107699753755125
Energy: 0.582031274327501
Energy: 0.7107699753761858
Energy: 0.5834492672686632
Energy: 0.5928627239820934
Energy: 0.7249586168744401
Energy: 0.5928627239834404
Energy: 0.5572525001381552
Energy: 0.5813336458304921
Energy: 0.5801283652858753
Energy: 0.5813336458304921
Energy: 0.5815263255921793
Energy: 0.7031161789867352
Energy: 0.8526587848781163
Energy: 0.7031161789847149
Energy: 0.5576825959521613
Energy: 0.7029256179757296
Energy: 0.6029212182179932
Energy: 0.7029256179636076
Energy: 0.5832466623540177
Energy: 0.5933948509429767
Energy: 1.062215798038965
Energy: 0.5933948509732817
Energy: 0.5764995738002227
Energy: 0.5840699535945891
Energy: 0.8408511221748858
Energy: 0.5840699535939157
Energy: 0.5814010319848452
Energy: 0.7021371163870715
Energy: 1.070628894040905
Energy: 0.7021371163870715
Energy: 0.7257228878605235
Energy: 0.7033614262652335
Energy: 0.6031130695252169
Energy: 0.7033614262652335
Energy: 0.5833953773814882
Energy: 0.5924372612331141
Energy: 0.9568908696481204
Energy: 0.5924372612331141
Energy: 0.7374907156984749
Energy: 0.6437354923506416
Energy: 0.579969192409606
Energy: 0.6437354923479479
Energy: 0.581505793237614
Energy: 0.5818082056686421
Energy: 0.8475813093772122
Energy: 0.5818082056693156
Energy: 0.7350026534250212
Energy: 0.7024273665821625
Energy: 0.5819068714741942
Energy: 0.7024273665821625
Energy: 0.5833301693695082
Energy: 0.7215231158713612
Energy: 0.6999180423732241
Energy: 0.7215231158713612
Energy: 0.7262344604190611
Energy: 0.5921825921105183
Energy: 0.585708754532683
Energy: 0.5921825921105183
Energy: 0.5814312525969666
Energy: 0.5801127717979169
Energy: 0.5750605115254248
Energy: 0.5801127717979169
Energy: 0.9910884098327867
Energy: 0.702138779222311
Energy: 0.5822364982167617
Energy: 0.7021387792088422
Energy: 0.6044991811905709
Energy: 0.6037676905246097
Energy: 0.5574637207662659
Energy: 0.6037676905246097
Energy: 0.9652618946514203
Energy: 0.5912677233038215
Energy: 0.5859096923403074
Energy: 0.5912677232916995
Energy: 0.8421588566943867
Energy: 0.5802009925424038
Energy: 0.5728042495517218
Energy: 0.5802009925424038
Energy: 1.067540597814994
Energy: 0.7019187840816415
Energy: 0.5820670989185424
Energy: 0.7019187840829886
Energy: 0.6046446388092537
Energy: 0.6584606344353562
Energy: 0.557163846027539
Energy: 0.6584606344353562
Energy: 0.8498922089586072
Energy: 0.5920170326980129
Energy: 0.5859052151169113
Energy: 0.5920170326980129
Energy: 0.581558724512892
Energy: 0.635446552045086
Energy: 0.7208449520338116
Energy: 0.6354465520437391
Energy: 0.8437423165338475
Energy: 0.5804730337625073
Energy: 0.5820288654934362
Energy: 0.5804730337645274
Energy: 0.5833260347348481
Energy: 0.6613917710437055
Energy: 0.7331501702861419
Energy: 0.6613917710430322
Energy: 0.5649080121329845
Energy: 0.6042467249790069
Energy: 0.5857795813334257
Energy: 0.6042467249790069
Energy: 0.5680318399889247
Energy: 0.6416987471156674
Energy: 0.7267335748815319
Energy: 0.6416987471082595
Energy: 0.5600286570577809
Energy: 0.5802454458530848
Energy: 0.583945831585679
Energy: 0.5802454458530848
Energy: 0.5834516850878257
Energy: 0.6587531740430712
Energy: 0.9896408703324664
Energy: 0.6587531740437447

minimum gb energy = 0.557163846027539 eV
minimum distance =  2.32211876262211 Angstroms
sigma value = 85


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

Energy: 0.8459590808860533
Energy: 0.5769578311972718
Energy: 0.8285995832202931
Energy: 0.576957831032641
Energy: 1.020986857518352
Energy: 0.5664734057381473
Energy: 0.5327087923233815
Energy: 0.5664734057381473
Energy: 0.8151746570182684
Energy: 0.7188932090004237
Energy: 0.6334553013290241
Energy: 0.7188932090039282
Energy: 0.9244906149789035
Energy: 0.6583447491272348
Energy: 0.5325305084968552
Energy: 0.6583447491272348
Energy: 0.6172894747601636
Energy: 0.5395100269198845
Energy: 0.54350332724425
Energy: 0.5395100269204686
Energy: 0.8966883656277761
Energy: 0.6190739306107478
Energy: 0.532457025562671
Energy: 0.6190739306148364
Energy: 0.5865883872229876
Energy: 0.7717641296790516
Energy: 0.5978960429983167
Energy: 0.7717641296790516
Energy: 0.7950000483028864
Energy: 0.6096826500248617
Energy: 0.5403532057808283
Energy: 0.6096826500248617
Energy: 0.5394042444824507
Energy: 0.6435431483389459
Energy: 0.726821535824313
Energy: 0.6435431483389459
Energy: 0.6786044343245933
Energy: 0.666534509813197
Energy: 0.5871317708037626
Energy: 0.666534509813197
Energy: 0.5328139626987031
Energy: 0.6581180180588383
Energy: 0.8313615471329062
Energy: 0.6581180180588383
Energy: 0.560878350719899
Energy: 0.5676435355728847
Energy: 0.6177397033978163
Energy: 0.5676435355728847
Energy: 0.5320533990072028
Energy: 0.5944623118822521
Energy: 0.9282603713556951
Energy: 0.5944623118822521
Energy: 0.50186543747615
Energy: 0.6216836501012863
Energy: 0.8156243783761147
Energy: 0.6216836501012863
Energy: 0.5339197600514303
Energy: 0.6583823252411696
Energy: 1.0911189177723535
Energy: 0.6583823252405855
Energy: 0.4992718759733971
Energy: 0.5652488196966514
Energy: 0.7875766831360898
Energy: 0.5652488196960673
Energy: 0.5321496688340812
Energy: 0.5945642496388539
Energy: 1.0434359992292659
Energy: 0.5945642496388539
Energy: 0.6332305157276397
Energy: 0.6216109997924717
Energy: 0.8156725570039771
Energy: 0.6216109997936398
Energy: 0.5336495193308829
Energy: 0.6582948837955718
Energy: 0.9960626396570496
Energy: 0.6582948837955718
Energy: 0.6432512446856754
Energy: 0.5650864456850203
Energy: 0.6177876988438676
Energy: 0.5650864456850203
Energy: 0.532917827721703
Energy: 0.5530197814818631
Energy: 0.8964408065936815
Energy: 0.5530197814818631
Energy: 0.6967797362039796
Energy: 0.657717630848909
Energy: 0.5871649598402758
Energy: 0.657717630848909
Energy: 0.5407536333467624
Energy: 0.6095487606308814
Energy: 0.7954907074364257
Energy: 0.6095487606308814
Energy: 0.7061311242944929
Energy: 0.5811654769254012
Energy: 0.5404066584960987
Energy: 0.5811654769259852
Energy: 0.5887231473164661
Energy: 0.6096938563316604
Energy: 0.679328310514143
Energy: 0.6096938563316604
Energy: 0.9318549832369828
Energy: 0.6577412439414058
Energy: 0.5338029021390072
Energy: 0.6577412439414058
Energy: 0.6191706824811806
Energy: 0.5604750697906745
Energy: 0.5566399780611025
Energy: 0.5604750697906745
Energy: 0.942056100552708
Energy: 0.5812144249864923
Energy: 0.5325821675460215
Energy: 0.5812144250962463
Energy: 0.8169402710852207
Energy: 0.6209677076828531
Energy: 0.5001678403318438
Energy: 0.6209677076840213
Energy: 1.0934227317886185
Energy: 0.6578680326748235
Energy: 0.5335888039180127
Energy: 0.6578680326754076
Energy: 0.8475800496404662
Energy: 0.5704089223319679
Energy: 0.4991812203636355
Energy: 0.57040892233372
Energy: 1.016551018838587
Energy: 0.5786461575087717
Energy: 0.5325549942811555
Energy: 0.5786461575076036
Energy: 0.8169315267688326
Energy: 0.6211035209489054
Energy: 0.501375442789929
Energy: 0.6211035209489054
Energy: 0.9955566293862143
Energy: 0.6095320223865393
Energy: 0.5335502038952074
Energy: 0.6095320223865393
Energy: 0.6191294713187786
Energy: 0.5603589882297451
Energy: 0.6431320242605623
Energy: 0.5603589882297451
Energy: 0.7990612584368485
Energy: 0.6365455921593597
Energy: 0.5345332627135889
Energy: 0.6365455921599438
Energy: 0.5888451723680115
Energy: 0.6577880805226702
Energy: 0.6967723377950095
Energy: 0.6577880805226702
Energy: 0.7953112854841634
Energy: 0.5603191505684385
Energy: 0.5413632454193449
Energy: 0.5603191505684385
Energy: 0.5406468671719469
Energy: 0.5602662824879594
Energy: 0.7085376800726645
Energy: 0.5602662824885434
Energy: 0.5657431751932475
Energy: 0.6451646119151434
Energy: 0.5904741735416559
Energy: 0.6451646119151434
Energy: 0.5318469197963743
Energy: 0.6576641969069427
Energy: 0.9306251903419714
Energy: 0.6576641969069427
Energy: 0.5570178523039926
Energy: 0.5603585438659423
Energy: 0.6206789526487737
Energy: 0.5603585438659423
Energy: 0.533752267357177
Energy: 0.5603836475459038
Energy: 0.9406591022789929
Energy: 0.5603836475453197

minimum gb energy = 0.4991812203636355 eV
minimum distance =  2.33746822668315 Angstroms
sigma value = 113


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

Energy: 0.015555236975040057
Energy: 0.016203565938792203
Energy: 0.7020233751367592
Energy: 0.016203565938792203
Energy: 0.7017223402665581
Energy: 0.2714479322465134
Energy: 0.27144504152376586
Energy: 0.2714479322469624
Energy: 0.015555236975040057
Energy: 0.016203565938792203
Energy: 0.7018556380175804
Energy: 0.016203565938792203
Energy: 0.7017223402670071
Energy: 0.2714479322469624
Energy: 0.271444904787348
Energy: 0.2714479322469624
Energy: 0.015555236975040057
Energy: 0.016203565938792203
Energy: 0.7020444255209027
Energy: 0.016203565939241212
Energy: 0.7017223402670071
Energy: 0.2714479322469624
Energy: 0.27144455760126124
Energy: 0.2714479322469624

minimum gb energy = 0.015555236975040057 eV
minimum distance =  2.5293527291662 Angstroms
sigma value = 1