Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535584409671
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01740524861354329
Energy: 0.01868104052590032
Energy: 1.4262772106284538
Energy: 0.01868104052631426
Energy: 0.01740524861354329
Energy: 0.01868104052590032
Energy: 0.018681040525532377
Energy: 22.461270156287355
Energy: 0.018681040525118445
Energy: 22.402648252928756
Energy: 0.018681040525532377
Energy: 22.39168533887476
Energy: 1.4262772106280859
Energy: 0.01868104052590032
Energy: 0.01740524861354329
Energy: 0.01868104052590032
Energy: 1.4262772106284538
Energy: 0.018681040525532377
Energy: 0.01868104052590032
Energy: 22.405584013194265
Energy: 0.018681040525532377
Energy: 22.647239531829705
Energy: 0.018681040525532377
Energy: 22.82418108940759
Energy: 0.01740524861354329
Energy: 0.018681040525532377
Energy: 1.4262772106280859
Energy: 0.01868104052590032
Energy: 0.01740524861354329
Energy: 0.01868104052590032
Energy: 0.018681040525532377
Energy: 22.401375831515892
Energy: 0.01868104052590032
Energy: 22.44965796610758
Energy: 0.018681040525532377
Energy: 22.3984427777855

minimum gb energy = 0.01740524861354329 eV
minimum distance =  1.62367869028038 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.9445180920116831
Energy: 1.9867271076142836
Energy: 2.1428389170816167
Energy: 1.9867271076142836
Energy: 1.9445180920106866
Energy: 1.9867271076142836
Energy: 1.9947387188414802
Energy: 1.9682327963960067
Energy: 1.8952667654064617
Energy: 1.9682327963960067
Energy: 1.9947387188414802
Energy: 1.9682327963960067
Energy: 2.030639667707499
Energy: 1.9658806311684067
Energy: 1.9048602785876445
Energy: 1.9658806311684067
Energy: 2.030639667707499
Energy: 1.9658806311684067
Energy: 2.0239965231655423
Energy: 1.9041854894102486
Energy: 2.0194117716464857
Energy: 1.9041854894082555
Energy: 2.023996523167535
Energy: 1.9041854894102486
Energy: 1.9925885128707914
Energy: 1.991557377722668
Energy: 1.9721900615160508
Energy: 1.991557377722668
Energy: 1.9925885128717877
Energy: 1.9915573777216713
Energy: 1.8965835540389655
Energy: 1.9662512761856537
Energy: 2.0319925294168173
Energy: 1.9662512761846576
Energy: 1.896583554042951
Energy: 1.9662512761866502
Energy: 1.8955246059514743
Energy: 1.9676826581343752
Energy: 2.0369526826280464
Energy: 1.9676826581343752
Energy: 1.8955246059653785
Energy: 1.9676826581343752
Energy: 1.98086944462415
Energy: 1.9929994679748448
Energy: 2.0122288785259355
Energy: 1.9929994679738483
Energy: 1.9808694446261426
Energy: 1.9929994679748448
Energy: 1.9515569998632805
Energy: 1.8946278197393114
Energy: 2.0138920995414
Energy: 1.8946278197403075
Energy: 1.9515569999648672
Energy: 1.894627819741304
Energy: 1.8990916497460484
Energy: 1.9660296996609976
Energy: 2.032818785798683
Energy: 1.9660296996609976
Energy: 1.8990916497460484
Energy: 1.9660296996609976
Energy: 2.0259219222711087
Energy: 1.9690403944875967
Energy: 1.9618719799317013
Energy: 1.9690403944866004
Energy: 2.025921922272105
Energy: 1.9690403944866004
Energy: 2.022839661211745
Energy: 1.989045560253564
Energy: 2.010233025409019
Energy: 1.9890455602525676
Energy: 2.0228396612127417
Energy: 1.9890455602525676
Energy: 1.89912378806487
Energy: 1.969040394488593
Energy: 2.055594501125147
Energy: 1.9690403944866004
Energy: 1.8991237880618808
Energy: 1.969040394488593
Energy: 2.032839206201497
Energy: 1.96599656981904
Energy: 1.8990797313372545
Energy: 1.96599656981904
Energy: 2.032839206201497
Energy: 1.96599656981904
Energy: 2.0145315613456205
Energy: 1.895024123952716
Energy: 1.96764450104987
Energy: 1.8950241239537124
Energy: 2.014531561344624
Energy: 1.895024123952716
Energy: 2.0120554473780805
Energy: 1.9981037223016889
Energy: 1.9803812268779935
Energy: 1.998103722302685
Energy: 2.0120554473780805
Energy: 1.998103722302685
Energy: 2.0369519270743877
Energy: 1.9678412776881444
Energy: 1.9245841231086673
Energy: 1.9678412776861969
Energy: 2.0369519270743877
Energy: 1.9678412776881444
Energy: 2.032097328571334
Energy: 1.9656709009098774
Energy: 1.933690126908249
Energy: 1.9656709009098774
Energy: 2.032097328571334
Energy: 1.9656709009098774
Energy: 1.961768476355745
Energy: 1.9915651267475354
Energy: 1.9958654420256157
Energy: 1.9915651267475354
Energy: 1.961768476355745
Energy: 1.9915651267475354
Energy: 2.0119942953317747
Energy: 1.9042662129463135
Energy: 1.9477943267281228
Energy: 1.9042662129463135
Energy: 2.011994295332771
Energy: 1.9042662129473096
Energy: 1.908385014842844
Energy: 1.9655635919410541
Energy: 2.0303813693790076
Energy: 1.9655635919410541
Energy: 1.9083850148438406
Energy: 1.9655635919410541
Energy: 1.9309899491063123
Energy: 1.9682258014428446
Energy: 2.000868825387717
Energy: 1.9682258014428446
Energy: 1.9309899490554958
Energy: 1.9682258014428446
Energy: 2.107763309941706
Energy: 1.9867271076142836
Energy: 1.9445180920126792
Energy: 1.9867271076142836
Energy: 2.107763309943699
Energy: 1.9867271076142836

minimum gb energy = 1.8946278197393114 eV
minimum distance =  2.44189417973013 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.3994480100957953
Energy: 2.0511892250702477
Energy: 2.1854742498023816
Energy: 2.051189225071381
Energy: 2.3994480100946616
Energy: 2.051189225070814
Energy: 2.168786636128461
Energy: 2.0115621373775867
Energy: 2.17577351358415
Energy: 2.0115621373770196
Energy: 2.168786636128461
Energy: 2.0115621373770196
Energy: 2.085188800550528
Energy: 2.045852984115278
Energy: 2.042277722745691
Energy: 2.045852984115278
Energy: 2.085188800550528
Energy: 2.045852984114711
Energy: 2.0600252437129787
Energy: 1.981287036815948
Energy: 2.067878320657511
Energy: 1.981287036816515
Energy: 2.0600252437129787
Energy: 1.981287036816515
Energy: 2.0368249052349703
Energy: 2.0107336742011395
Energy: 2.034932372395127
Energy: 2.0107336742011395
Energy: 2.0368249052281695
Energy: 2.0107336742005733
Energy: 2.0933653931083085
Energy: 2.0125233160136733
Energy: 2.13600101706467
Energy: 2.0125233160142404
Energy: 2.0933653931054743
Energy: 2.0125233160148066
Energy: 2.09343759033753
Energy: 2.020764600406324
Energy: 2.206813516441683
Energy: 2.020764600406891
Energy: 2.093437590340931
Energy: 2.020764600406891
Energy: 2.1617187150662094
Energy: 2.0171191563843083
Energy: 2.228468704890981
Energy: 2.0171191563843083
Energy: 2.1617187150656423
Energy: 2.0171191563843083
Energy: 2.0058160758640757
Energy: 1.9809860161194892
Energy: 2.088923271144806
Energy: 1.9809860161189223
Energy: 2.0058160758703094
Energy: 1.9809860161217558
Energy: 2.0027675205825965
Energy: 2.0468049544378295
Energy: 2.007629063344482
Energy: 2.0468049544378295
Energy: 2.00276752058203
Energy: 2.0468049544378295
Energy: 2.08662432486352
Energy: 2.053332936145768
Energy: 2.123152746704705
Energy: 2.0533329361463353
Energy: 2.0866243248652205
Energy: 2.0533329361463353
Energy: 2.0274310160938027
Energy: 2.0191677397705448
Energy: 2.0684758578452933
Energy: 2.0191677397705448
Energy: 2.0274310160938027
Energy: 2.0191677397705448
Energy: 2.0615146686881585
Energy: 1.981170451532434
Energy: 2.0860188279097773
Energy: 1.981170451532434
Energy: 2.061514670159891
Energy: 1.9811704515330006
Energy: 2.142068641572642
Energy: 2.0460115307839795
Energy: 2.4123545959836914
Energy: 2.0460115307839795
Energy: 2.142068641573775
Energy: 2.0460115307845457
Energy: 2.031393071201851
Energy: 2.0163565962311787
Energy: 2.1573726657132952
Energy: 2.0163565962311787
Energy: 2.0313930712007178
Energy: 2.0163565962311787
Energy: 2.028740184850497
Energy: 2.0129576091560955
Energy: 2.0811194086704536
Energy: 2.012957609156662
Energy: 2.0287401848487967
Energy: 2.0129576091560955
Energy: 2.0511249993699745
Energy: 2.0209983640837135
Energy: 2.0355510572907622
Energy: 2.02099836408258
Energy: 2.051124999348438
Energy: 2.0209983640837135
Energy: 2.064798952789425
Energy: 2.0179044466410474
Energy: 2.1089893792724084
Energy: 2.0179044466410474
Energy: 2.0647989527644874
Energy: 2.017904446641614
Energy: 2.1145318114253318
Energy: 2.0171487589992707
Energy: 2.2023375225276807
Energy: 2.0171487589998374
Energy: 2.1145318114247647
Energy: 2.0171487589992707
Energy: 2.01801945694306
Energy: 1.9813849360754285
Energy: 2.1717431543867236
Energy: 1.981384936077129
Energy: 2.018019456944194
Energy: 1.9813849360759954
Energy: 2.0489490103662162
Energy: 2.047240850177359
Energy: 2.144876591159789
Energy: 2.047240850177359
Energy: 2.0489490103667833
Energy: 2.047240850177359
Energy: 2.088648643723512
Energy: 2.049514231512656
Energy: 2.1589192968215642
Energy: 2.049514231512656
Energy: 2.088648643723512
Energy: 2.0495142315132227
Energy: 2.005053115564113
Energy: 2.0173025790409573
Energy: 2.054809993983823
Energy: 2.017302579041524
Energy: 2.0050531155646802
Energy: 2.0173025790409573
Energy: 2.049520545479655
Energy: 2.0114434523093006
Energy: 2.0942259788369393
Energy: 2.0114434523087334
Energy: 2.049520545487023
Energy: 2.0114434523087334
Energy: 2.0936663401842925
Energy: 2.0224206574046923
Energy: 2.044689979205504
Energy: 2.0224206574041257
Energy: 2.093666340183159
Energy: 2.0224206574041257
Energy: 2.123030390124547
Energy: 2.0471920588948556
Energy: 2.1585809498522726
Energy: 2.047192058895422
Energy: 2.123030390124547
Energy: 2.047192058895422
Energy: 2.122891459208051
Energy: 2.0469882728399673
Energy: 2.1850628924509756
Energy: 2.0469882728399673
Energy: 2.1228914592074837
Energy: 2.046988272839401
Energy: 2.0919750611391823
Energy: 2.0223879687556128
Energy: 2.041989432046758
Energy: 2.0223879687561794
Energy: 2.0919750611386156
Energy: 2.0223879687556128
Energy: 2.0858686578560874
Energy: 2.0114139931773596
Energy: 2.1241845220846476
Energy: 2.011413993176793
Energy: 2.0858686578583545
Energy: 2.011413993176793
Energy: 2.005194927999451
Energy: 2.017235537373628
Energy: 2.032689913046731
Energy: 2.017235537373628
Energy: 2.005194928001151
Energy: 2.017235537373061
Energy: 2.091165567376088
Energy: 2.0495142315132227
Energy: 2.1508590703067627
Energy: 2.0495142315137898
Energy: 2.091165567374388
Energy: 2.0495142315137898
Energy: 2.0481562162870697
Energy: 2.047240954690203
Energy: 2.1451366585599585
Energy: 2.047240954689636
Energy: 2.0481562162876363
Energy: 2.047240954690203
Energy: 2.017907385062533
Energy: 1.9814688246244283
Energy: 2.171497587855109
Energy: 1.981468824624995
Energy: 2.0179073850670672
Energy: 1.9814688246238612
Energy: 2.1146619146176473
Energy: 2.0172458123104144
Energy: 2.408685287117739
Energy: 2.0172458123104144
Energy: 2.1146619146176473
Energy: 2.0172458123104144
Energy: 2.087910643970657
Energy: 2.017610479287222
Energy: 2.102094564117308
Energy: 2.017610479287222
Energy: 2.0879106439763246
Energy: 2.017610479287222
Energy: 2.0773576445578272
Energy: 2.0214083527610436
Energy: 2.033726327321018
Energy: 2.021408352762177
Energy: 2.07735764455726
Energy: 2.02140835276161
Energy: 2.078487845257972
Energy: 2.0137108611849195
Energy: 2.064922076694429
Energy: 2.0137108611849195
Energy: 2.078487845257972
Energy: 2.0137108611849195
Energy: 2.0300823525182454
Energy: 2.0163812112895845
Energy: 2.114771179066445
Energy: 2.0163812112884507
Energy: 2.0300823525182454
Energy: 2.0163812112878836
Energy: 2.140336882595594
Energy: 2.0459002890557945
Energy: 2.4127310156105866
Energy: 2.0459002890557945
Energy: 2.140336882593894
Energy: 2.0459002890557945
Energy: 2.047532140212047
Energy: 1.9812208106860623
Energy: 2.086308956683894
Energy: 1.9812208106854954
Energy: 2.047532140243733
Energy: 1.9812208106871958
Energy: 2.027548026914407
Energy: 2.019156725340138
Energy: 2.090088044208584
Energy: 2.019156725340138
Energy: 2.027548026914407
Energy: 2.019156725340138

minimum gb energy = 1.9809860161189223 eV
minimum distance =  2.42887119912724 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.0904916477596123
Energy: 2.021303336830009
Energy: 2.4205402006610717
Energy: 2.021303336830009
Energy: 2.0904916477609254
Energy: 2.0213033368286957
Energy: 2.095026778864092
Energy: 2.2222110394009014
Energy: 2.3164363139076367
Energy: 2.222211039399588
Energy: 2.095026778864092
Energy: 2.222211039399588
Energy: 2.095052523815825
Energy: 2.021741471494522
Energy: 2.127657760187043
Energy: 2.021741471494522
Energy: 2.095052523815825
Energy: 2.021741471494522
Energy: 2.1451981458097085
Energy: 1.9670829085279469
Energy: 2.1970857638719816
Energy: 1.9670829085279469
Energy: 2.1451981458097085
Energy: 1.9670829085279469
Energy: 2.110998084441293
Energy: 1.9674057071061222
Energy: 2.1780146344425404
Energy: 1.9674057071061222
Energy: 2.110998084441293
Energy: 1.9674057071074353
Energy: 2.091394258593105
Energy: 1.9661328658142736
Energy: 2.26388112987217
Energy: 1.9661328658142736
Energy: 2.0913942585799736
Energy: 1.9661328658142736
Energy: 2.091509481735303
Energy: 1.9667019291211847
Energy: 2.1315476120966528
Energy: 1.9667019291211847
Energy: 2.0915094818166873
Energy: 1.9667019291211847
Energy: 2.11289559519066
Energy: 1.9663795088872367
Energy: 2.1156096786488163
Energy: 1.9663795088872367
Energy: 2.1128955951893467
Energy: 1.9663795088872367
Energy: 2.091482371217591
Energy: 2.120120499779162
Energy: 2.1126891447752474
Energy: 2.120120499779162
Energy: 2.091481917379107
Energy: 2.120120499779162
Energy: 2.0994762071992454
Energy: 2.050274891516273
Energy: 2.1150277867500016
Energy: 2.0502748915175864
Energy: 2.0994762071979323
Energy: 2.050274891516273
Energy: 2.1937246430940216
Energy: 1.9675513210279703
Energy: 2.2207466480903775
Energy: 1.9675513210279703
Energy: 2.1937246430940216
Energy: 1.9675513210292837
Energy: 2.099409304541543
Energy: 2.021358775518207
Energy: 2.2647000798069787
Energy: 2.0213587755195204
Energy: 2.099409304541543
Energy: 2.0213587755195204
Energy: 2.1259726392770424
Energy: 1.9852316195864168
Energy: 2.194591426355289
Energy: 1.98523161958773
Energy: 2.125972639280982
Energy: 1.9852316195890432
Energy: 2.100719412446694
Energy: 2.020683731759927
Energy: 2.1919707421538215
Energy: 2.02068373176124
Energy: 2.100719412446694
Energy: 2.0206837317586137
Energy: 2.095341353030832
Energy: 2.0208723253832996
Energy: 2.2244560989952893
Energy: 2.020872325384613
Energy: 2.095341353030832
Energy: 2.0208723253832996
Energy: 2.111314755380441
Energy: 2.0023417821924343
Energy: 2.221355013144265
Energy: 2.0023417821937475
Energy: 2.111314755380441
Energy: 2.0023417821937475
Energy: 2.1031696257869674
Energy: 2.049557161066223
Energy: 2.2604143297534387
Energy: 2.0495571610675363
Energy: 2.1031696257895933
Energy: 2.0495571610675363
Energy: 2.197055745090517
Energy: 1.9666197448582639
Energy: 2.216441005385316
Energy: 1.9666197448582639
Energy: 2.197055751813429
Energy: 1.9666197448569507

minimum gb energy = 1.9661328658142736 eV
minimum distance =  2.40724122188986 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.272164915282097
Energy: 2.1315488423081783
Energy: 2.2746742592590925
Energy: 2.1315488423073994
Energy: 2.272164915280539
Energy: 2.1315488423081783
Energy: 2.2077277204997645
Energy: 2.2095900298245468
Energy: 2.2613347934546835
Energy: 2.2095900298253257
Energy: 2.2077277204997645
Energy: 2.2095900298245468
Energy: 2.098579137541996
Energy: 2.0913369757799622
Energy: 2.121343795781127
Energy: 2.0913369757799622
Energy: 2.098579137541996
Energy: 2.0913369757799622
Energy: 2.152058344363627
Energy: 2.0710905428430917
Energy: 2.3955684838436526
Energy: 2.0710905428430917
Energy: 2.152058344364406
Energy: 2.071090542842313
Energy: 2.152139168256805
Energy: 2.1148222058210244
Energy: 2.298754605315901
Energy: 2.1148222058210244
Energy: 2.1521391682575834
Energy: 2.1148222058194666
Energy: 2.3158015632125464
Energy: 2.1147086493698093
Energy: 2.1521665026407772
Energy: 2.1147086493698093
Energy: 2.3158015632133253
Energy: 2.1147086493698093
Energy: 2.3995068516943787
Energy: 2.071075903369747
Energy: 2.1553897657702876
Energy: 2.071075903369747
Energy: 2.3995068516889266
Energy: 2.071075903370526
Energy: 2.1394959885675715
Energy: 2.0917032041303227
Energy: 2.098566974447638
Energy: 2.0917032041303227
Energy: 2.1394959885675715
Energy: 2.0917032041303227
Energy: 2.2577649247301097
Energy: 2.209679828630827
Energy: 2.262750727686459
Energy: 2.209679828630048
Energy: 2.2577649247316676
Energy: 2.209679828630827
Energy: 2.294451318446021
Energy: 2.1315488423081783
Energy: 2.272164915281318
Energy: 2.1315488423081783
Energy: 2.2944513184468
Energy: 2.1315488423073994
Energy: 2.2613347934546835
Energy: 2.2095900298245468
Energy: 2.132832579230234
Energy: 2.2095900298245468
Energy: 2.261334793487398
Energy: 2.2095900298253257
Energy: 2.1213437957819066
Energy: 2.0913369757791838
Energy: 2.098579137541996
Energy: 2.0913369757799622
Energy: 2.121343795781127
Energy: 2.0913369757799622
Energy: 2.395568483845954
Energy: 2.0710905428430917
Energy: 2.152058344363627
Energy: 2.0710905428430917
Energy: 2.3955684838482907
Energy: 2.0710905428430917
Energy: 2.2987546058087425
Energy: 2.1148222058210244
Energy: 2.152139168256805
Energy: 2.114822205820246
Energy: 2.298754605529997
Energy: 2.1148222058210244
Energy: 2.1521665026399983
Energy: 2.1147086493698093
Energy: 2.2669539492101873
Energy: 2.1147086493705882
Energy: 2.1521665026399983
Energy: 2.1147086493698093
Energy: 2.1553897657710666
Energy: 2.071075903369747
Energy: 2.399506851692042
Energy: 2.071075903370526
Energy: 2.1553897657710666
Energy: 2.071075903369747
Energy: 2.098566974447638
Energy: 2.0917032041303227
Energy: 2.1394959885675715
Energy: 2.0917032041303227
Energy: 2.098566974447638
Energy: 2.0917032041303227
Energy: 2.262750727686459
Energy: 2.209679828630048
Energy: 2.257764924730888
Energy: 2.209679828630048
Energy: 2.2627507276872385
Energy: 2.209679828630827
Energy: 2.272164915280539
Energy: 2.1315488423081783
Energy: 2.389825348563194
Energy: 2.1315488423081783
Energy: 2.272164915281318
Energy: 2.1315488423073994
Energy: 2.132832579230234
Energy: 2.2095900298253257
Energy: 2.261334793480388
Energy: 2.2095900298245468
Energy: 2.132832579230234
Energy: 2.2095900298245468
Energy: 2.098579137541996
Energy: 2.0913369757799622
Energy: 2.1213437957819066
Energy: 2.0913369757799622
Energy: 2.098579137541996
Energy: 2.0913369757799622
Energy: 2.152058344363627
Energy: 2.0710905428430917
Energy: 2.3955684838498486
Energy: 2.0710905428430917
Energy: 2.152058344363627
Energy: 2.0710905428430917
Energy: 2.152139168256805
Energy: 2.1148222058210244
Energy: 2.298754605973801
Energy: 2.1148222058210244
Energy: 2.152139168256805
Energy: 2.114822205820246
Energy: 2.1942955834061686
Energy: 2.114708649371367
Energy: 2.1521665026407772
Energy: 2.1147086493705882
Energy: 2.194295584433134
Energy: 2.1147086493705882
Energy: 2.3995068516928213
Energy: 2.071075903370526
Energy: 2.1424335047172836
Energy: 2.071075903369747
Energy: 2.3995068516959366
Energy: 2.071075903369747
Energy: 2.1394959885675715
Energy: 2.0917032041303227
Energy: 2.098566974447638
Energy: 2.0917032041303227
Energy: 2.1394959885675715
Energy: 2.0917032041303227
Energy: 2.2577649247316676
Energy: 2.209679828630048
Energy: 2.262750727686459
Energy: 2.209679828630827
Energy: 2.257764924730888
Energy: 2.209679828630048
Energy: 2.3898253485888983
Energy: 2.1315488423081783
Energy: 2.272164915281318
Energy: 2.1315488423081783
Energy: 2.3898253485888983
Energy: 2.1315488423073994
Energy: 2.2613347933924053
Energy: 2.2095900298245468
Energy: 2.1328325792310125
Energy: 2.2095900298253257
Energy: 2.26133479341811
Energy: 2.2095900298245468
Energy: 2.1213437957819066
Energy: 2.0913369757799622
Energy: 2.098579137541996
Energy: 2.0913369757799622
Energy: 2.1213437957819066
Energy: 2.0913369757799622

minimum gb energy = 2.071075903369747 eV
minimum distance =  2.41011165633791 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.9580624038698775
Energy: 1.9541204655327697
Energy: 2.5266109155358705
Energy: 1.9541204655327697
Energy: 1.9580624038698775
Energy: 1.9541204655327697
Energy: 1.9175971915447485
Energy: 2.0213641263751185
Energy: 2.0050217664710352
Energy: 2.0213641263751185
Energy: 1.9175971915447485
Energy: 2.0213641263751185
Energy: 1.9700363775352772
Energy: 2.20573622182025
Energy: 2.1379522899686
Energy: 2.20573622182025
Energy: 1.9700363775352772
Energy: 2.20573622182025
Energy: 2.2168411086193407
Energy: 1.9580605006112242
Energy: 2.2624188589643466
Energy: 1.9580605006112242
Energy: 2.216841108056757
Energy: 1.9580605006112242
Energy: 2.0031911790192884
Energy: 1.9543293520979677
Energy: 2.4097086011409248
Energy: 1.9543293520979677
Energy: 2.0031911790192884
Energy: 1.9543293520979677
Energy: 1.979713971156735
Energy: 2.204862623607328
Energy: 2.0064603689154343
Energy: 2.2048626236092357
Energy: 1.979713971156735
Energy: 2.204862623607328
Energy: 2.0023605277788645
Energy: 2.0088082260611615
Energy: 1.9703029260338472
Energy: 2.0088082260611615
Energy: 2.0023605277807723
Energy: 2.0088082260611615
Energy: 1.958208494483559
Energy: 1.9585980917279997
Energy: 2.1942379661306
Energy: 1.9585980917279997
Energy: 1.958208494485467
Energy: 1.9585980917279997
Energy: 1.9699203095335789
Energy: 1.9560616953935785
Energy: 2.211291089378276
Energy: 1.9560616953935785
Energy: 1.9699203095354867
Energy: 1.9560616953935785
Energy: 1.9702270579501973
Energy: 2.2040200933008802
Energy: 1.9700026636219259
Energy: 2.2040200933008802
Energy: 1.9702270579501973
Energy: 2.2040200933008802
Energy: 2.390633896301223
Energy: 1.9561143942592865
Energy: 1.969509973333349
Energy: 1.9561143942574222
Energy: 2.3906338963050384
Energy: 1.9561143942574222
Energy: 2.2347997306332976
Energy: 1.958634745347175
Energy: 1.9582543344876149
Energy: 1.9586347453452673
Energy: 2.2347997306294816
Energy: 1.958634745347175

minimum gb energy = 1.9175971915447485 eV
minimum distance =  2.44175250764548 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.3220820648932183
Energy: 2.2601873896258486
Energy: 2.3680094147554724
Energy: 2.2601873896263847
Energy: 2.3220820648932183
Energy: 2.2601873896258486
Energy: 2.151576467330045
Energy: 2.2117253948442777
Energy: 2.0390368798094722
Energy: 2.183141514003678
Energy: 2.151576467328973
Energy: 2.211725394844814
Energy: 1.996558014276464
Energy: 2.1977956336604856
Energy: 2.019658283854503
Energy: 2.1977956336604856
Energy: 1.996558014276464
Energy: 2.1977956336604856
Energy: 2.0154583946019082
Energy: 2.1412044675941346
Energy: 2.2084859815767888
Energy: 2.1412044675925266
Energy: 2.0154583946019082
Energy: 2.1412044675935986
Energy: 2.0120249435925066
Energy: 2.1410162182250314
Energy: 2.1586405362345165
Energy: 2.1410162182250314
Energy: 2.0120249435925066
Energy: 2.1410162182250314
Energy: 1.9781331386405225
Energy: 2.122576385419574
Energy: 2.0331944340948205
Energy: 2.0988487042077537
Energy: 1.9781331386405225
Energy: 2.1225763854190385
Energy: 2.288149294188076
Energy: 2.165512955617803
Energy: 2.126078751793299
Energy: 2.1655129556172668
Energy: 2.2881492941875394
Energy: 2.1655129556172668
Energy: 2.110563689340349
Energy: 2.1420178293042476
Energy: 2.058917659991655
Energy: 2.1420178293047836
Energy: 2.110563689339813
Energy: 2.1420178293047836
Energy: 2.147764277152465
Energy: 2.2826443933699574
Energy: 2.1513285410082217
Energy: 2.282644393370494
Energy: 2.1477642771808774
Energy: 2.2826443933699574
Energy: 2.1225164786673645
Energy: 2.2202892865752313
Energy: 2.013079817850358
Energy: 2.2202892865746957
Energy: 2.1225164786679005
Energy: 2.2202892865752313
Energy: 2.174486721032909
Energy: 2.1525357070598465
Energy: 2.047603998823811
Energy: 2.1525357070598465
Energy: 2.174486721034517
Energy: 2.1525357070609186
Energy: 2.0128741591596557
Energy: 2.1447939438789114
Energy: 2.0078031940211294
Energy: 2.144793943878376
Energy: 2.0128741591601926
Energy: 2.1447939438789114
Energy: 1.980941415535211
Energy: 2.099538612116767
Energy: 2.0349325490920602
Energy: 2.099538612117839
Energy: 1.980941415534675
Energy: 2.099538612117839
Energy: 2.2909691748986147
Energy: 2.236990785588014
Energy: 2.346722847096392
Energy: 2.236990785588014
Energy: 2.2909691748986147
Energy: 2.236990785588014
Energy: 2.020060977174981
Energy: 2.208315108456781
Energy: 2.063840939638824
Energy: 2.2083151084578536
Energy: 2.020060977173909
Energy: 2.2083151084573176
Energy: 2.178988825138439
Energy: 2.1285962510723544
Energy: 2.010955204526779
Energy: 2.1285962510723544
Energy: 2.1789888251379024
Energy: 2.1285962510723544
Energy: 2.1317454302563132
Energy: 2.20303777071413
Energy: 2.0131355084850253
Energy: 2.2030377707146664
Energy: 2.1317454302563132
Energy: 2.2030377707152025
Energy: 2.014409094021033
Energy: 2.1038289680638638
Energy: 2.0122079635402845
Energy: 2.1038289680644
Energy: 2.0144090940221044
Energy: 2.103828968064936
Energy: 2.1186553985761107
Energy: 2.235062886597883
Energy: 1.9759099108070595
Energy: 2.2350628865973476
Energy: 2.1186553985761107
Energy: 2.235062886597883
Energy: 2.023983350901378
Energy: 2.2069216266601703
Energy: 2.0247221295530697
Energy: 2.206921626660707
Energy: 2.023983350902451
Energy: 2.2770643389358063
Energy: 1.9751632877041145
Energy: 2.235794580057268
Energy: 2.1236660283884383
Energy: 2.2357945800567314
Energy: 1.9751632877046505
Energy: 2.235794580057268
Energy: 2.0333870564609398
Energy: 2.104413358235456
Energy: 2.014792989504107
Energy: 2.10441335823492
Energy: 2.0333870564609398
Energy: 2.104413358236528
Energy: 2.013783777487248
Energy: 2.203011877626557
Energy: 2.131678530817398
Energy: 2.203011877626557
Energy: 2.013783777487248
Energy: 2.2030118776270924
Energy: 2.010632290226736
Energy: 2.1283358810600967
Energy: 2.1790639156648703
Energy: 2.1283358810595607
Energy: 2.010632290226736
Energy: 2.1283358810595607
Energy: 2.0534435172954186
Energy: 2.2086235397324177
Energy: 2.0233197071690645
Energy: 2.2086235397313456
Energy: 2.0534435173050682
Energy: 2.2086235397313456
Energy: 2.3447774965494665
Energy: 2.2372003292865745
Energy: 2.2907186788654372
Energy: 2.237200329287111
Energy: 2.3447774965494665
Energy: 2.237200329287111
Energy: 2.034916977794977
Energy: 2.0997311386115363
Energy: 1.9814845829497068
Energy: 2.099731138609928
Energy: 2.0349169777971214
Energy: 2.099731138610464
Energy: 1.9990104671841982
Energy: 2.1447276979775856
Energy: 2.0133139444062502
Energy: 2.144727697978121
Energy: 1.9990104671766928
Energy: 2.144727697978121
Energy: 2.050217575406864
Energy: 2.142248451053953
Energy: 2.243317069972364
Energy: 2.1422484510523447
Energy: 2.050217575470658
Energy: 2.1422484510528808
Energy: 2.012484281774053
Energy: 2.220526295514484
Energy: 2.122456947940907
Energy: 2.220526295514484
Energy: 2.012484281774589
Energy: 2.220526295514484
Energy: 2.1412164808149776
Energy: 2.2826443933678138
Energy: 2.1603639421266916
Energy: 2.2826443933678138
Energy: 2.1412164808149776
Energy: 2.2826443933672773
Energy: 2.0550003638121135
Energy: 2.141809494772288
Energy: 2.1103050148855798
Energy: 2.1418094947717514
Energy: 2.05500034644315
Energy: 2.141809494772288
Energy: 2.144066820606223
Energy: 2.165463183368216
Energy: 2.2884469708538644
Energy: 2.165463183368216
Energy: 2.1440668206072955
Energy: 2.1654631833687525
Energy: 2.035346692330385
Energy: 2.1507206088847224
Energy: 1.9781383325024895
Energy: 2.150720608885258
Energy: 2.0353466923770247
Energy: 2.099212626672524
Energy: 2.216430164347546
Energy: 2.140954603868784
Energy: 2.0120184302209294
Energy: 2.140954603868784
Energy: 2.2164301643502267
Energy: 2.1409546038677116
Energy: 2.2054737119779073
Energy: 2.1414317696678205
Energy: 2.0153766943251195
Energy: 2.141431769668357
Energy: 2.2054737119779073
Energy: 2.141431769668357
Energy: 2.0133403804821084
Energy: 2.197731918484976
Energy: 1.9971883624267588
Energy: 2.197731918484976
Energy: 2.0133403804928305
Energy: 2.197731918484976
Energy: 2.0374554417407538
Energy: 2.141826501576193
Energy: 2.152840665413829
Energy: 2.141826501575657
Energy: 2.037455441747723
Energy: 2.163942695124481
Energy: 2.2356122582097697
Energy: 2.2601873896258486
Energy: 2.3220820648937543
Energy: 2.2601873896258486
Energy: 2.2356122582103053
Energy: 2.2601873896263847
Energy: 2.0390368798035743
Energy: 2.1531865749981383
Energy: 2.1515764673284368
Energy: 2.183141514006358
Energy: 2.0390368798003586
Energy: 2.1531865749986743
Energy: 2.01965828395095
Energy: 2.1977956336604856
Energy: 1.9965580142748558
Energy: 2.1977956336604856
Energy: 2.019658284050077
Energy: 2.197795633661022
Energy: 2.2084859815757163
Energy: 2.1412044675930626
Energy: 2.0154583946013727
Energy: 2.1412044675925266
Energy: 2.2084859815746443
Energy: 2.1412044675935986
Energy: 2.1132623809579054
Energy: 2.141016218225567
Energy: 2.012024943591971
Energy: 2.141016218226103
Energy: 2.113262380957369
Energy: 2.141016218226103

minimum gb energy = 1.9751632877041145 eV
minimum distance =  2.42137069207954 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.9910123215536968
Energy: 2.092695836271156
Energy: 2.1312555910732134
Energy: 2.092695836272376
Energy: 1.9910123215536968
Energy: 2.092695836272376
Energy: 2.4051585235342
Energy: 2.140515503312814
Energy: 1.752489625534998
Energy: 2.140515503312814
Energy: 2.4051585235342
Energy: 2.140515503312814
Energy: 1.7122756476884722
Energy: 2.0249741047253784
Energy: 1.752261519516542
Energy: 2.0249741047265992
Energy: 1.7122756476884722
Energy: 2.0249741047265992
Energy: 1.7520534578023959
Energy: 2.0639881055812332
Energy: 1.8227379031740691
Energy: 2.0639881055812332
Energy: 1.7520534578023959
Energy: 2.0639881055812332
Energy: 1.7513639039817384
Energy: 2.0898809326808756
Energy: 1.7507633228477635
Energy: 2.0898809326808756
Energy: 1.7513639039817384
Energy: 2.0898809326820955
Energy: 2.4695644741649656
Energy: 2.0307574547460168
Energy: 1.9055034181819697
Energy: 2.0307574547460168
Energy: 2.469564474163745
Energy: 2.0307574547472376
Energy: 2.4691078770724624
Energy: 2.026198507105777
Energy: 1.90529318231485
Energy: 2.026198507105777
Energy: 2.469107877071242
Energy: 2.026198507105777
Energy: 1.751115371415014
Energy: 2.089682081222803
Energy: 1.7707697044433583
Energy: 2.089682081221583
Energy: 1.751115371415014
Energy: 2.089682081222803
Energy: 1.7519082415281395
Energy: 2.0638828174150783
Energy: 1.7512132814089816
Energy: 2.0638828174150783
Energy: 1.7519082415281395
Energy: 2.063882817413858
Energy: 1.7123839758059791
Energy: 2.025038516593426
Energy: 1.7551279174304493
Energy: 2.0250385165946465
Energy: 1.7123839758059791
Energy: 2.025038516593426
Energy: 2.4057284180548444
Energy: 2.140515503312814
Energy: 1.824981174157694
Energy: 2.140515503314034
Energy: 2.4057284180548444
Energy: 2.140515503314034
Energy: 1.9910123215536968
Energy: 2.092695836271156
Energy: 2.2222836156932586
Energy: 2.092695836272376
Energy: 1.9910123215536968
Energy: 2.092695836272376
Energy: 2.4051585235342
Energy: 2.140515503312814
Energy: 1.752489625534998
Energy: 2.140515503312814
Energy: 2.4051585235342
Energy: 2.140515503312814
Energy: 1.7122756476884722
Energy: 2.0249741047253784
Energy: 1.752261519523864
Energy: 2.0249741047265992
Energy: 1.7122756476884722
Energy: 2.0249741047253784
Energy: 1.7520534578023959
Energy: 2.0639881055812332
Energy: 1.770323267871768
Energy: 2.0639881055812332
Energy: 1.7520534578023959
Energy: 2.0639881055812332
Energy: 1.7513639039817384
Energy: 2.0898809326808756
Energy: 1.750763322780701
Energy: 2.0898809326808756
Energy: 1.7513639039817384
Energy: 2.0898809326808756
Energy: 2.4695644741649656
Energy: 2.0307574547472376
Energy: 1.9055034181831898
Energy: 2.0307574547460168
Energy: 2.4695644741649656
Energy: 2.0307574547460168
Energy: 2.469107877070021
Energy: 2.0261985071069977
Energy: 1.9052931823185106
Energy: 2.0261985071069977
Energy: 2.469107877071242
Energy: 2.026198507105777
Energy: 1.7511153714162346
Energy: 2.089682081222803
Energy: 1.770769704442138
Energy: 2.089682081221583
Energy: 1.751115371415014
Energy: 2.089682081221583

minimum gb energy = 1.7122756476884722 eV
minimum distance =  2.41363357040725 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.7937566504779192
Energy: 2.027623731635268
Energy: 1.8032357451352254
Energy: 2.027623731635268
Energy: 1.7937566504770255
Energy: 2.027623731635268
Energy: 2.471871228454581
Energy: 1.943304083795563
Energy: 1.5862546430118811
Energy: 1.9433040949636309
Energy: 2.471871228454581
Energy: 1.9433040898598721
Energy: 1.7646777189259095
Energy: 1.8984184583270816
Energy: 1.8013562180375235
Energy: 1.8984184583288695
Energy: 1.7646777189268033
Energy: 1.8984184583288695
Energy: 1.8460494054644916
Energy: 1.8921429061945947
Energy: 1.5867277218435056
Energy: 1.89214290619817
Energy: 1.8460494054662797
Energy: 1.89214290619817
Energy: 1.5857496474877653
Energy: 2.025047939031068
Energy: 1.6118396848095344
Energy: 2.025047939031068
Energy: 1.5857496474877653
Energy: 2.025047939031068
Energy: 1.612405072245534
Energy: 1.9922671855107084
Energy: 1.5866715153600028
Energy: 1.9922671855107084
Energy: 1.6124050722446406
Energy: 1.9922671855107084
Energy: 1.6101101073173891
Energy: 2.037956004081167
Energy: 1.5877064764878956
Energy: 2.037956004082061
Energy: 1.6101101073173891
Energy: 2.0379560040838487
Energy: 2.139849261686893
Energy: 2.069311309104619
Energy: 1.6295148843048235
Energy: 2.0693113091064075
Energy: 2.1398492616859994
Energy: 2.069311309104619
Energy: 2.1410626791066276
Energy: 2.073618548061541
Energy: 2.0894414924821687
Energy: 2.073618548061541
Energy: 2.1410626791057337
Energy: 2.073618548061541
Energy: 1.6125996798957987
Energy: 1.9139956011877137
Energy: 1.5865170612128434
Energy: 1.9139956011984405
Energy: 1.6125996798957987
Energy: 1.913995601193971
Energy: 1.6111678611089135
Energy: 1.9899387820257488
Energy: 1.5868242786002213
Energy: 1.9899387820266428
Energy: 1.6111678611089135
Energy: 1.9899387820266428
Energy: 1.5876133428836035
Energy: 2.071617549005462
Energy: 1.5876209665987695
Energy: 2.0716175490045683
Energy: 1.5876133428836035
Energy: 2.0716175490045683
Energy: 2.139731860501683
Energy: 1.891375990420941
Energy: 1.6997799951257355
Energy: 1.8913759904227292
Energy: 2.139731860499895
Energy: 1.8913759904200471
Energy: 1.7674326391093795
Energy: 1.9236652229346585
Energy: 1.611380275364219
Energy: 1.9236652229364466
Energy: 1.7674326391102733
Energy: 1.9236652229355526
Energy: 2.4709573344408255
Energy: 1.9411092321723429
Energy: 1.586032992615523
Energy: 1.9411092321651915
Energy: 2.4709573344408255
Energy: 1.9411092321456067
Energy: 1.7970421652731676
Energy: 2.028794264631865
Energy: 1.8784575545190767
Energy: 2.028794264632758
Energy: 1.7970421652731676
Energy: 2.028794264632758
Energy: 2.5004221219995197
Energy: 1.9441583803579348
Energy: 1.6103966270400474
Energy: 1.944158380358829
Energy: 2.500422121997732
Energy: 1.944158380354359
Energy: 1.7672488307109597
Energy: 1.8991885952585323
Energy: 1.6663008581741732
Energy: 1.8991885951558136
Energy: 1.7672488307100658
Energy: 1.899188595152238
Energy: 1.8515775956186207
Energy: 1.9153919679145284
Energy: 1.5866293339753685
Energy: 1.9153919679136344
Energy: 1.8515775956150446
Energy: 1.9153919679145284
Energy: 1.587442217580163
Energy: 2.028496258003434
Energy: 1.612734225370344
Energy: 2.028496258004328
Energy: 1.587442217580163
Energy: 2.028496258004328
Energy: 2.244417499327265
Energy: 2.0046579225094745
Energy: 1.7666743355135377
Energy: 2.0046579225112624
Energy: 2.2444174993281587
Energy: 2.0046579225112624
Energy: 1.612483319936234
Energy: 2.0311964664655675
Energy: 1.5919432011663655
Energy: 2.031196466467355
Energy: 1.6124833199353403
Energy: 2.031196466466461
Energy: 2.1426436088791614
Energy: 2.0388021985082263
Energy: 1.7934958700249752
Energy: 2.0388021985073324
Energy: 2.1426436088791614
Energy: 2.03880219850912
Energy: 1.5883467481187077
Energy: 2.0870726035920684
Energy: 2.0888565125078506
Energy: 2.0870726035920684
Energy: 1.5883467481187077
Energy: 2.087072603592962
Energy: 1.619608138770335
Energy: 1.910814624907339
Energy: 1.7666593716263093
Energy: 1.9108146249010822
Energy: 1.619608138770335
Energy: 1.9108146249055515
Energy: 1.6128105334026817
Energy: 1.9915006176277903
Energy: 1.5873268732416363
Energy: 1.9915006176277903
Energy: 1.6128105334035758
Energy: 1.9915006176277903

minimum gb energy = 1.5857496474877653 eV
minimum distance =  2.45923407227333 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.2433819828014094
Energy: 1.947025744247096
Energy: 1.5585366291635772
Energy: 1.947025744259746
Energy: 2.2433819828021138
Energy: 1.9470257442520278
Energy: 2.4684744233525224
Energy: 1.797445811756388
Energy: 1.4616303805038473
Energy: 1.7974458117556835
Energy: 2.4684744233532268
Energy: 1.797445811756388
Energy: 1.6090417485940653
Energy: 1.8654707851742103
Energy: 1.4933735102753032
Energy: 1.8654707851742103
Energy: 1.6090417485940653
Energy: 1.8654707851742103
Energy: 2.190997316993763
Energy: 1.7483609560539082
Energy: 1.4608378460268407
Energy: 1.7483609560539082
Energy: 2.190997316993763
Energy: 1.7483609560539082
Energy: 1.5913526931217206
Energy: 1.741174225142053
Energy: 1.5219064864878238
Energy: 1.7411742251462485
Energy: 1.59135269312313
Energy: 1.7411742251469529
Energy: 1.9168483201754085
Energy: 1.882045800225122
Energy: 1.461464513166968
Energy: 1.882045800225122
Energy: 1.9168483201754085
Energy: 1.882045800225122
Energy: 1.4597375126480747
Energy: 1.9091854743476802
Energy: 1.4600652588023284
Energy: 1.9091854743476802
Energy: 1.4597375126480747
Energy: 1.9091854743476802
Energy: 2.0314793722911175
Energy: 1.936134125635502
Energy: 1.4917272223363043
Energy: 1.9361341256362063
Energy: 2.0314793722918227
Energy: 1.9361341256362063
Energy: 1.4929360737472324
Energy: 1.8427512718193015
Energy: 1.8674067406006196
Energy: 1.8427512718214154
Energy: 1.4929360737472324
Energy: 1.8427512718214154
Energy: 1.926550383716852
Energy: 1.933134915493218
Energy: 1.8834266701444096
Energy: 1.933134915493218
Energy: 1.9265503837147386
Energy: 1.9331349154925133
Energy: 1.9219157955877342
Energy: 1.9062081750707742
Energy: 1.882565957926677
Energy: 1.9062081750707742
Energy: 1.9219157955884383
Energy: 1.9062081750707742
Energy: 1.4980551291173847
Energy: 1.8980764905998666
Energy: 1.4914983947471625
Energy: 1.979917913508851
Energy: 1.4980551291166802
Energy: 1.898076490601276
Energy: 1.493387297617711
Energy: 1.8947383616224938
Energy: 1.7773995038060877
Energy: 1.8947383616224938
Energy: 1.493387297617711
Energy: 1.8947383616224938
Energy: 1.4643975430202372
Energy: 1.8635497161270178
Energy: 1.4614820768030974
Energy: 1.8635497161270178
Energy: 1.4643975430195328
Energy: 1.8635497161270178
Energy: 1.9213343497227067
Energy: 1.8402764238926583
Energy: 1.4615747090239335
Energy: 1.8402764238926583
Energy: 1.9213343497220021
Energy: 1.8402764238926583
Energy: 1.5962149632808653
Energy: 1.9423189869702528
Energy: 1.461104351563008
Energy: 1.9798168244319945
Energy: 1.5962149632808653
Energy: 1.8639166102702793
Energy: 1.8700558933956033
Energy: 1.8764622083680682
Energy: 1.4932065497460978
Energy: 1.8764622083680682
Energy: 1.8700558933963078
Energy: 1.8764622083673639
Energy: 1.6137093464209862
Energy: 1.8982712034943983
Energy: 1.494576972842888
Energy: 1.8982712034943983
Energy: 1.6137093464216907
Energy: 1.8982712034943983
Energy: 2.4674180703211186
Energy: 1.7942388914907765
Energy: 1.461095602144731
Energy: 1.794238891491481
Energy: 2.4674180703232316
Energy: 1.7942388914865492
Energy: 1.8811813580424772
Energy: 1.9479844497206673
Energy: 1.7156000765797563
Energy: 1.9767229205296375
Energy: 1.8811813588882647
Energy: 1.8641586936229222
Energy: 2.450231547354845
Energy: 1.7958247589149143
Energy: 1.492586175333491
Energy: 1.7958247589149143
Energy: 2.450231547354845
Energy: 1.7958247589149143
Energy: 1.6136586735099594
Energy: 1.8624874076378164
Energy: 1.5783100196924937
Energy: 1.8624874076385207
Energy: 1.6136586735099594
Energy: 1.8624874076378164
Energy: 2.2339585503021273
Energy: 1.7378977813101408
Energy: 1.4604729458091479
Energy: 1.7378977813094363
Energy: 2.2339585503021273
Energy: 1.7378977813101408
Energy: 1.5962838385307132
Energy: 1.824341760998362
Energy: 1.4964821460093702
Energy: 1.7937763422069561
Energy: 1.5962838385307132
Energy: 1.838354923972641
Energy: 1.7075161269099808
Energy: 1.8798935468674671
Energy: 1.594006740016765
Energy: 1.8798935468674671
Energy: 1.7075161269099808
Energy: 1.8798935468674671
Energy: 1.4646125815183277
Energy: 1.7949354503346744
Energy: 1.666446150393644
Energy: 1.7739840465884569
Energy: 1.4646125815183277
Energy: 1.7949354503339698
Energy: 2.030303579919163
Energy: 1.9001870604152138
Energy: 1.6117583082307794
Energy: 1.9001870604152138
Energy: 2.030303579917754
Energy: 1.9001870604152138
Energy: 1.4982701738888728
Energy: 1.8417580206048787
Energy: 1.8750407778168068
Energy: 1.8307439646724006
Energy: 1.4982701738888728
Energy: 1.8417580206048787
Energy: 1.9245006816918928
Energy: 1.9338825768665695
Energy: 1.8815646153374006
Energy: 1.9338825768665695
Energy: 1.9245006816911885
Energy: 1.9338825768665695
Energy: 1.4628836816860828
Energy: 1.8821292429849008
Energy: 1.8792928897742884
Energy: 1.8486067245831836
Energy: 1.4628836816853785
Energy: 1.8970464712036197
Energy: 1.4933512904190895
Energy: 1.9002015434300625
Energy: 1.6109310561791994
Energy: 1.9002015434300625
Energy: 1.4933512904190895
Energy: 1.9002015434300625
Energy: 1.4989677717679666
Energy: 1.8937793361921875
Energy: 1.8722807381840545
Energy: 1.8937793361914828
Energy: 1.4989677717679666
Energy: 1.8937793361921875
Energy: 1.4612217587537508
Energy: 1.8638604826549523
Energy: 1.5932165246164647
Energy: 1.8638604826563618
Energy: 1.46122175875516
Energy: 1.8638604826556573

minimum gb energy = 1.4597375126480747 eV
minimum distance =  2.4337971838699 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.885878392192878
Energy: 1.747579240246177
Energy: 1.5973151890508666
Energy: 1.7475792402466712
Energy: 1.885878392192878
Energy: 1.747579240246177
Energy: 2.654898944259722
Energy: 1.5988736809631783
Energy: 1.3053125226350495
Energy: 1.5988736809626838
Energy: 2.654898944259722
Energy: 1.5988736809621893
Energy: 1.8519420912961047
Energy: 1.7236289481935723
Energy: 1.5748530779723797
Energy: 1.7236289481935723
Energy: 1.8519420912951157
Energy: 1.7236289481935723
Energy: 2.2147248889375244
Energy: 1.4760753998062388
Energy: 1.3049158139634343
Energy: 1.476075399909492
Energy: 2.2147248889375244
Energy: 1.4760753999703113
Energy: 1.4179914491235686
Energy: 1.696197403475955
Energy: 1.3287489719488048
Energy: 1.6961974034754606
Energy: 1.417991449124063
Energy: 1.696197403475955
Energy: 2.0061628317728455
Energy: 1.6509740668311166
Energy: 1.305035115958512
Energy: 1.6509740668311166
Energy: 2.0061628317733398
Energy: 1.6509740668316109
Energy: 1.393991030959962
Energy: 1.6293433206269754
Energy: 1.3109427146963517
Energy: 1.629343320629448
Energy: 1.3939910309584786
Energy: 1.6293433206269754
Energy: 1.8125582966814024
Energy: 1.6559913249288813
Energy: 1.3119204918727254
Energy: 1.6559913249283869
Energy: 1.812558296682886
Energy: 1.6559913249283869
Energy: 1.3100874610892543
Energy: 1.6986180572491512
Energy: 1.5289082599577977
Energy: 1.6986180572491512
Energy: 1.3100874610892543
Energy: 1.6986180572486567
Energy: 1.6243548390467621
Energy: 1.7179453616911908
Energy: 1.6120249396668613
Energy: 1.7179453616911908
Energy: 1.6243548390452787
Energy: 1.7179453616906961
Energy: 1.3046307070522325
Energy: 1.6576568544614176
Energy: 1.6171022768421066
Energy: 1.6576568546215342
Energy: 1.304630707051738
Energy: 1.6576568544169157
Energy: 2.0579351838870483
Energy: 1.746080696561593
Energy: 1.6207021279446796
Energy: 1.746080696561593
Energy: 2.0579351838870483
Energy: 1.746080696561593
Energy: 1.598618635210453
Energy: 1.698623629598058
Energy: 1.9922290604364405
Energy: 1.698623629598058
Energy: 1.5986186352099585
Energy: 1.6986236295985524
Energy: 1.6339234577825639
Energy: 1.7256009716331715
Energy: 2.0001230633551783
Energy: 1.725600971633666
Energy: 1.6339234577820692
Energy: 1.7256009716331715
Energy: 1.6199173697935256
Energy: 1.6582152380792274
Energy: 2.001983050829806
Energy: 1.6582152381340682
Energy: 1.6199173697935256
Energy: 1.6582152380451094
Energy: 1.6065640409299953
Energy: 1.7259125824953463
Energy: 1.6215484154765327
Energy: 1.725912582494852
Energy: 1.6065640409285118
Energy: 1.725912582494852
Energy: 1.5985980839574556
Energy: 1.7005742968510185
Energy: 1.995200099033833
Energy: 1.7005742968519622
Energy: 1.5985980839579501
Energy: 1.7005742968524566
Energy: 1.312570294012651
Energy: 1.7248782432137535
Energy: 1.5979836181471379
Energy: 1.7248782432147425
Energy: 1.3125702940131454
Energy: 1.7248782432132592
Energy: 1.6209734895190393
Energy: 1.704525631628551
Energy: 1.6001315873131259
Energy: 1.704525631628551
Energy: 1.6209734895180503
Energy: 1.7045256316280566
Energy: 1.3182986514240886
Energy: 1.7305947788237501
Energy: 1.3112809623557196
Energy: 1.730594778820289
Energy: 1.3182986514240886
Energy: 1.7305947788237501
Energy: 1.5984741340628874
Energy: 1.701977254777349
Energy: 1.5974894805076991
Energy: 1.7019772547768546
Energy: 1.5984741340628874
Energy: 1.701977254777349
Energy: 1.4023633143902192
Energy: 1.7244827578055577
Energy: 1.305123662229071
Energy: 1.7244827578050634
Energy: 1.4023633143902192
Energy: 1.7244827578050634
Energy: 2.007203896454348
Energy: 1.7263050020154584
Energy: 1.3131547751105304
Energy: 1.7263050020154584
Energy: 2.007203896454348
Energy: 1.726305002015953
Energy: 1.4261732368255378
Energy: 1.7295321664811942
Energy: 1.304912934830911
Energy: 1.7295321664811942
Energy: 1.4261732368245488
Energy: 1.7295321664811942
Energy: 1.9941864106672333
Energy: 1.687429795635198
Energy: 1.6086358626142199
Energy: 1.687429795636187
Energy: 1.9941864106687166
Energy: 1.687429795636187
Energy: 1.8456945724647866
Energy: 1.7350698780561908
Energy: 1.3214061951193505
Energy: 1.7350698780556963
Energy: 1.8456945724652811
Energy: 1.7350698780561908
Energy: 2.432581759658147
Energy: 1.6169033395655932
Energy: 1.3127949050411183
Energy: 1.6169033401389474
Energy: 2.432581759658147
Energy: 1.616903338522768
Energy: 1.8808195573730864
Energy: 1.7317318484358966
Energy: 1.6204296517040024
Energy: 1.731731848435402
Energy: 1.8808195573755586
Energy: 1.731731848435402
Energy: 2.215180355316745
Energy: 1.6569659526680625
Energy: 1.6131843250474323
Energy: 1.656965952666579
Energy: 2.215180355316745
Energy: 1.656965952666579
Energy: 1.8455394588603864
Energy: 1.734735017887425
Energy: 1.6636889710250193
Energy: 1.7347350178879195
Energy: 1.8455394588608809
Energy: 1.7347350178879195
Energy: 2.0072371304289236
Energy: 1.5413756084612344
Energy: 1.3124399811311296
Energy: 1.54137560846074
Energy: 2.0072371304284293
Energy: 1.541375608461729
Energy: 1.4257208803057255
Energy: 1.7011031314796718
Energy: 1.4820474441060345
Energy: 1.7011031314791774
Energy: 1.4257208803057255
Energy: 1.7011031314786829
Energy: 1.8096415989610002
Energy: 1.6238440107430208
Energy: 1.3183445053966238
Energy: 1.6238440107430208
Energy: 1.809641598957539
Energy: 1.6238440107435153
Energy: 1.4038795883476614
Energy: 1.650073029294927
Energy: 1.838497031383295
Energy: 1.6500730292954215
Energy: 1.4038795883476614
Energy: 1.650073029294927
Energy: 1.8402774933602597
Energy: 1.650155967923509
Energy: 1.4020526575115946
Energy: 1.650155967923509
Energy: 1.8402774933607542
Energy: 1.650155967923509
Energy: 1.3185378616831955
Energy: 1.6246846705231197
Energy: 1.8076434227012363
Energy: 1.6246846705216365
Energy: 1.3185378616841845
Energy: 1.6246846705226252
Energy: 1.479609780498422
Energy: 1.701092711596895
Energy: 1.4256173402023868
Energy: 1.7010927115964005
Energy: 1.4796097804989166
Energy: 1.701092711596895
Energy: 1.3130493253819726
Energy: 1.5332039513106077
Energy: 2.006824936965393
Energy: 1.5332039509398943
Energy: 1.3130493253819726
Energy: 1.5332039506048272
Energy: 1.663688971026008
Energy: 1.7350912574051154
Energy: 1.8455777985291864
Energy: 1.7350912574051154
Energy: 1.663688971026997
Energy: 1.7350912574051154
Energy: 1.4574889436796734
Energy: 1.6571901335660892
Energy: 2.21537067635818
Energy: 1.65719013356065
Energy: 1.4574889436767067
Energy: 1.6571901335636168
Energy: 1.6218794897062085
Energy: 1.7313825825392872
Energy: 1.87977859304057
Energy: 1.7313825825397817
Energy: 1.6218794899929079
Energy: 1.7313825825402762
Energy: 1.313637293642294
Energy: 1.6203918541515794
Energy: 2.4331595362597325
Energy: 1.6203918533963977
Energy: 1.313637293642294
Energy: 1.6203918498516723
Energy: 1.3210981631375933
Energy: 1.7349904897179156
Energy: 1.8454648562022167
Energy: 1.73499048971841
Energy: 1.3210981631361098
Energy: 1.73499048971841
Energy: 1.4586998907424833
Energy: 1.6872114295853065
Energy: 1.9941756753693056
Energy: 1.6872114295853065
Energy: 1.4586998907429778
Energy: 1.6872114295853065
Energy: 1.3049001140637746
Energy: 1.7296768780347767
Energy: 1.4254803617156797
Energy: 1.7296768780347767
Energy: 1.304900114064269
Energy: 1.7296768780357656
Energy: 1.3128061658370136
Energy: 1.7263050020179307
Energy: 2.0070431033650364
Energy: 1.7263050020174364
Energy: 1.312806165836519
Energy: 1.7263050020179307
Energy: 1.3058916350272947
Energy: 1.724419169896363
Energy: 1.4036369110285176
Energy: 1.7244191698948792
Energy: 1.305891635027789
Energy: 1.7244191698948792

minimum gb energy = 1.304630707051738 eV
minimum distance =  2.4877314096737 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.3993900272819746
Energy: 0.4008103470229879
Energy: 2.6613591645729837
Energy: 0.40081034702366386
Energy: 0.3993900272819746
Energy: 0.4008103470233259
Energy: 0.43397896972568734
Energy: 1.2199348641551582
Energy: 1.0403153329322377
Energy: 1.219934864155834
Energy: 0.4339789697266637
Energy: 1.2199348641551582
Energy: 0.3993900272819746
Energy: 0.40081034702264995
Energy: 2.4932139850367183
Energy: 0.4008103470233259
Energy: 0.39939002728163664
Energy: 0.4008103470233259
Energy: 0.4339789697259878
Energy: 1.2199348641554961
Energy: 1.0403153329325756
Energy: 1.2199348641554961
Energy: 0.4339789697259878
Energy: 1.2199348641551582
Energy: 0.39939002728163664
Energy: 0.4008103470229879
Energy: 2.493213985037695
Energy: 0.4008103470233259
Energy: 0.39939002728163664
Energy: 0.40081034702366386
Energy: 0.4339789697259878
Energy: 1.219934864155834
Energy: 1.0403153329322377
Energy: 1.219934864155834
Energy: 0.4339789697259878
Energy: 1.2199348641548202
Energy: 0.39939002728163664
Energy: 0.4008103470229879
Energy: 2.4932139850367183
Energy: 0.40081034702366386
Energy: 0.3993900272819746
Energy: 0.4008103470233259

minimum gb energy = 0.39939002728163664 eV
minimum distance =  2.65493188202634 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.1436650591021587
Energy: 1.737350640101867
Energy: 1.5512830732117953
Energy: 1.737350640101867
Energy: 2.1436650591012594
Energy: 1.7373506401023575
Energy: 2.5813191430313993
Energy: 1.3014251384880808
Energy: 1.3224847829257993
Energy: 1.3014251384880808
Energy: 2.5813191430305
Energy: 1.3014251384889801
Energy: 1.9254645521946714
Energy: 1.7120988234996768
Energy: 1.5532666779351534
Energy: 1.712098823500167
Energy: 1.9254645521960618
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Energy: 1.5612452481591408
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Energy: 1.2881925255260305
Energy: 1.561245248158732
Energy: 1.2856401453121238
Energy: 1.6562909154421934
Energy: 1.7009097954407717
Energy: 1.6562909154430927
Energy: 1.2856401453121238
Energy: 1.6562909154421934
Energy: 1.3374233056325227
Energy: 1.5838952095987222
Energy: 2.0001251485273666
Energy: 1.5838952095992127
Energy: 1.3374233056320322
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Energy: 1.2842942384746547
Energy: 1.7086711963040437
Energy: 2.093036657759977
Energy: 1.7086711963040437
Energy: 1.2842942384737552
Energy: 1.7086711963045342
Energy: 1.2884193642523112
Energy: 1.3014419038169052
Energy: 2.2409315120338826
Energy: 1.3014419038173142
Energy: 1.288419364251821
Energy: 1.3014419038173142
Energy: 1.3333292873458815
Energy: 1.7332874078032317
Energy: 2.1174617691387922
Energy: 1.7332874078028226
Energy: 1.3333292873453908
Energy: 1.7332874078028226
Energy: 1.3371487509357969
Energy: 1.3447750078072864
Energy: 2.2438741313059447
Energy: 1.344775007806796
Energy: 1.3371487509353879
Energy: 1.3447750078063871
Energy: 1.3536783755822706
Energy: 1.7087814013919433
Energy: 2.091136976132813
Energy: 1.7087814013919433
Energy: 1.3536783755817798
Energy: 1.7087814013919433
Energy: 1.2885726499165935
Energy: 1.3295174210015495
Energy: 2.2145018105427643
Energy: 1.3295174210020402
Energy: 1.2885726499161032
Energy: 1.3295174210024487
Energy: 1.3327602274010077
Energy: 1.6566607613051607
Energy: 1.7047441421132192
Energy: 1.656660761304752
Energy: 1.332760227400599
Energy: 1.656660761304752
Energy: 1.3329857425059042
Energy: 1.5708430995718592
Energy: 1.836598674997084
Energy: 1.57084309957096
Energy: 1.3329857425068035
Energy: 1.57084309957096
Energy: 1.6715662248723153
Energy: 1.6483106550248845
Energy: 1.6821755869703008
Energy: 1.6483106550253752
Energy: 1.6715662248718246
Energy: 1.648310655024476

minimum gb energy = 1.2840713070969347 eV
minimum distance =  2.45792415749604 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.020049800425551
Energy: 1.9201580815015677
Energy: 1.7469003040960125
Energy: 1.9201580815015677
Energy: 2.0200498004261678
Energy: 1.9201580815015677
Energy: 2.4532906377293124
Energy: 1.4623734128991188
Energy: 1.4748330210024962
Energy: 1.4623734128978843
Energy: 2.4532906377293124
Energy: 1.462373412897267
Energy: 1.969805429737833
Energy: 1.8899909515388071
Energy: 1.7170030297924364
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Energy: 1.9698054297365986
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Energy: 1.4706298861513871
Energy: 1.4320409449884628
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Energy: 1.593599832111405
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Energy: 1.717463038344747
Energy: 1.7988350690721184
Energy: 1.4761960435833188
Energy: 1.7988350690715014
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Energy: 1.4305638646271746
Energy: 1.8543342540639582
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Energy: 1.4305638646277916
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Energy: 1.4238026743124739
Energy: 1.8810364955488796
Energy: 1.9622286295986566
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Energy: 1.4238026743124739
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Energy: 1.4238102750264554
Energy: 1.8523484764665734
Energy: 1.8995579860320648
Energy: 1.8523484764678078
Energy: 1.4238102750264554
Energy: 1.8523484764678078
Energy: 1.430095995163832
Energy: 1.9076525376629183
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Energy: 1.9076525376641529
Energy: 1.4300959951644492
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Energy: 1.7993518189696318
Energy: 1.9201110752507131
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Energy: 1.8882840832310586
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Energy: 1.8798799752222577
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Energy: 1.909458690383223
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Energy: 1.8906264557818766
Energy: 1.899478691772667
Energy: 1.4237629702466534
Energy: 1.8994786917739015
Energy: 1.8906264557818766
Energy: 1.8994786917732842
Energy: 1.8903619615609863
Energy: 1.879799945764461
Energy: 1.4927625933144824
Energy: 1.8797999457638437
Energy: 1.8903619615609863
Energy: 1.8797999457638437
Energy: 1.4303413059151902
Energy: 1.7990224195362023
Energy: 1.6586205782954708
Energy: 1.7990224195368196
Energy: 1.4303413059151902
Energy: 1.7990224195368196
Energy: 1.43005113698362
Energy: 1.9076577584522252
Energy: 1.5392275499149657
Energy: 1.907657758451608
Energy: 1.43005113698362
Energy: 1.9076577584509906
Energy: 1.4238164780551092
Energy: 1.8523484764678078
Energy: 1.9032096283657638
Energy: 1.8523484764671907
Energy: 1.423816478054492
Energy: 1.8523484764678078
Energy: 1.4237908925569274
Energy: 1.8810777614575378
Energy: 1.9624305508449573
Energy: 1.8810777614556864
Energy: 1.4237908925569274
Energy: 1.8810777614550687
Energy: 1.4307415000863284
Energy: 1.8543597187547858
Energy: 2.1727968883375106
Energy: 1.8543597187554028
Energy: 1.4307415000863284
Energy: 1.8543597187554028
Energy: 1.4914436355794243
Energy: 1.907325004726428
Energy: 2.015795685894166
Energy: 1.9073250047270454
Energy: 1.4914436355800411
Energy: 1.9073250047270454
Energy: 1.424002911726442
Energy: 1.6212281533556683
Energy: 2.2070840119110584
Energy: 1.6212281533562856
Energy: 1.424002911725825
Energy: 1.6212281533562856
Energy: 1.53621428494997
Energy: 1.881041209487688
Energy: 1.9622737276926947
Energy: 1.8810412094870708
Energy: 1.53621428494997
Energy: 1.8810412094870708
Energy: 1.430726830488271
Energy: 1.61480843772004
Energy: 1.9600230869348763
Energy: 1.6148084377212744
Energy: 1.430726830488271
Energy: 1.6148084377212744
Energy: 1.498505431478576
Energy: 1.7863774766594824
Energy: 1.5398099154083018
Energy: 1.7863774766588651
Energy: 1.498505431478576
Energy: 1.7863774766594824
Energy: 1.4924420123864441
Energy: 1.797492629525975
Energy: 1.7038090901134804
Energy: 1.797492629525975
Energy: 1.4924420123870614
Energy: 1.7974926295265923

minimum gb energy = 1.4236393902048574 eV
minimum distance =  2.39532272437581 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.2005190011930154
Energy: 2.0756626565322245
Energy: 1.8885830179358412
Energy: 2.0756626565322245
Energy: 2.2005190011930154
Energy: 2.0756626565322245
Energy: 2.467464594684062
Energy: 1.5842790800253164
Energy: 1.5811524443489937
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Energy: 1.569344696593842
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Energy: 1.872492564625287
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Energy: 1.696870724923326
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Energy: 1.5337911986520476
Energy: 1.9657170477090213
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Energy: 2.109656353048479
Energy: 1.7566493229071238
Energy: 1.5341971858322112
Energy: 1.7566493229071238
Energy: 2.109656353048479
Energy: 1.7566493229071238
Energy: 2.1087313933306016
Energy: 1.9494141890236374
Energy: 1.8147913206277384
Energy: 1.9494141890236374
Energy: 2.1087313933306016
Energy: 1.9494141890236374
Energy: 2.14592351674924
Energy: 2.026456166828584
Energy: 1.5200844745515825
Energy: 2.026456166828584
Energy: 2.14592351674924
Energy: 2.026456166828584
Energy: 2.145407747703183
Energy: 2.0269044679890267
Energy: 1.5202830947735255
Energy: 2.026904467988268
Energy: 2.145407747703941
Energy: 2.026904467988268
Energy: 2.1097688721524386
Energy: 2.053322761376191
Energy: 1.5338122903740161
Energy: 2.053322761376191
Energy: 2.1097688721524386
Energy: 2.0533227613769496
Energy: 2.1084999092632772
Energy: 2.081745224960919
Energy: 1.582462615958379
Energy: 2.081745224960161
Energy: 2.1084999092632772
Energy: 2.081745224960919
Energy: 1.5355213613256107
Energy: 1.966435879910837
Energy: 1.5197690367240704
Energy: 1.9664358799115949
Energy: 1.5355213613256107
Energy: 1.9664358799100785
Energy: 1.5335681850558267
Energy: 2.026024144128633
Energy: 1.5347861749260492
Energy: 2.026024144128633
Energy: 1.5335681850558267
Energy: 2.026024144128633
Energy: 1.522660172385827
Energy: 1.9705613356068021
Energy: 1.5336752330929808
Energy: 1.9705613356083183
Energy: 1.522660172385827
Energy: 1.9705613356075604
Energy: 1.5198069033388897
Energy: 2.081284511527048
Energy: 1.6660023881114512
Energy: 2.081284511527048
Energy: 1.5198069033388897
Energy: 2.081284511527048
Energy: 1.5354747475759036
Energy: 2.026503180269995
Energy: 2.124427159883191
Energy: 2.026503180269995
Energy: 1.5354747475759036
Energy: 2.026503180269995
Energy: 1.6003274851079698
Energy: 2.026148049071267
Energy: 2.1477401275068164
Energy: 2.026148049071267
Energy: 1.6003274851079698
Energy: 2.026148049071267
Energy: 1.5228364488080166
Energy: 2.027597915466646
Energy: 1.9324762468620393
Energy: 2.0275979154674046
Energy: 1.5228364488080166
Energy: 2.027597915466646
Energy: 1.6740614563738965
Energy: 1.9521282983536323
Energy: 1.6658043605721424
Energy: 1.9521282983543902
Energy: 1.6740614563738965
Energy: 1.9521282983543902
Energy: 1.5358847526798174
Energy: 1.7591848917249542
Energy: 1.876969610845657
Energy: 1.7591848917249542
Energy: 1.5358847526798174
Energy: 1.7591848917249542
Energy: 1.5803501192722533
Energy: 1.964581991846556
Energy: 1.534994280122192
Energy: 1.9645819918473142
Energy: 1.5803501192730116
Energy: 1.9645819918473142

minimum gb energy = 1.5197690367240704 eV
minimum distance =  2.41501845605282 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.8472704809852367
Energy: 2.155349142657552
Energy: 1.6530862317929447
Energy: 2.155349142657552
Energy: 1.8472704809852367
Energy: 2.1553491426585336
Energy: 2.1279542901212447
Energy: 1.7422678948701078
Energy: 1.7297936620103063
Energy: 1.7422678948710895
Energy: 2.1279542901212447
Energy: 1.7422678948701078
Energy: 1.7375404893512632
Energy: 2.1518882680098868
Energy: 1.6525302106626767
Energy: 2.1518882680098868
Energy: 1.7375404893512632
Energy: 2.1518882680098868
Energy: 1.7370726494708253
Energy: 1.6540605316107004
Energy: 1.728522008592103
Energy: 1.6540605316097186
Energy: 1.7370726494698436
Energy: 1.6540605316107004
Energy: 1.6744065121775835
Energy: 1.729531407822022
Energy: 1.9478569616589974
Energy: 1.7295314078230035
Energy: 1.6744065121775835
Energy: 1.729531407822022
Energy: 1.7073216462925214
Energy: 2.146186314620168
Energy: 1.7390563985380085
Energy: 2.146186314620168
Energy: 1.7073216462925214
Energy: 2.146186314620168
Energy: 1.6519701442803991
Energy: 1.927750263809818
Energy: 2.128019563165052
Energy: 1.9277502638088362
Energy: 1.6519701442794175
Energy: 1.9277502638088362
Energy: 1.7350991167763457
Energy: 2.1463734917173247
Energy: 1.8463865709429266
Energy: 2.1463734917163433
Energy: 1.735099116775364
Energy: 2.1463734917163433
Energy: 1.6745223711924884
Energy: 1.7433090482152047
Energy: 1.6620304355691993
Energy: 1.7433090482152047
Energy: 1.6745223711924884
Energy: 1.7433090482152047
Energy: 1.6519404354073863
Energy: 2.1658335644786924
Energy: 1.7389419948297637
Energy: 2.1658335644786924
Energy: 1.6519404354073863
Energy: 2.1658335644786924
Energy: 1.6517343624814171
Energy: 1.652805300472285
Energy: 1.6521414482455954
Energy: 1.652805300472285
Energy: 1.6517343624814171
Energy: 1.652805300472285
Energy: 1.6743279578900798
Energy: 1.9402605850273011
Energy: 1.7281692041384198
Energy: 1.9402605850273011
Energy: 1.6743279578900798
Energy: 1.9402605850273011
Energy: 1.674334369984374
Energy: 2.1484752915581575
Energy: 1.6943394310393822
Energy: 2.148475291559139
Energy: 1.6743343699833924
Energy: 2.148475291559139
Energy: 2.0674591637476873
Energy: 2.1948441009494832
Energy: 1.6518812025655312
Energy: 2.1948441009494832
Energy: 2.0674591637643305
Energy: 2.1948441009494832
Energy: 2.4683241456513314
Energy: 2.1472671189879557
Energy: 1.6990182833800798
Energy: 2.1472671189879557
Energy: 2.4683241456513314
Energy: 2.1472671189879557
Energy: 1.6744078055979659
Energy: 2.146427140868602
Energy: 1.6754158531335093
Energy: 2.1464271408695836
Energy: 1.6744078055969842
Energy: 2.146427140868602
Energy: 1.6742016210787896
Energy: 1.9420638639446348
Energy: 1.6517111164559755
Energy: 1.9420638639456165
Energy: 1.6742016210787896
Energy: 1.9420638639456165
Energy: 1.651787491515379
Energy: 1.9718976043610021
Energy: 1.652048953920781
Energy: 1.971897604359039
Energy: 1.651787491515379
Energy: 1.9718976043600205
Energy: 1.6516974492819985
Energy: 1.94199969232601
Energy: 1.6742234270973055
Energy: 1.9419996923250284
Energy: 1.6516974492819985
Energy: 1.9419996923250284
Energy: 1.6749590824723097
Energy: 2.1461248505724413
Energy: 1.6745826067690013
Energy: 2.146124850573423
Energy: 1.6749590824732914
Energy: 2.1461248505724413
Energy: 1.6988267993160893
Energy: 2.147761733201515
Energy: 2.4683115133490716
Energy: 2.147761733201515
Energy: 1.6988267993160893
Energy: 2.147761733201515
Energy: 1.651859395746362
Energy: 1.927466961732891
Energy: 2.0671166356442754
Energy: 1.9274669617319091
Energy: 1.651859395746362
Energy: 1.927466961732891
Energy: 1.7407638999965316
Energy: 2.1485313810718143
Energy: 1.6743250121450128
Energy: 2.1485313810718143
Energy: 1.7407638999965316
Energy: 2.148531381072796
Energy: 1.7280162313041578
Energy: 1.9400575356718353
Energy: 1.6744401369183308
Energy: 1.9400575356718353
Energy: 1.7280162313031762
Energy: 1.9400575356718353

minimum gb energy = 1.6516974492819985 eV
minimum distance =  2.41448835499769 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.8381570325690408
Energy: 1.8391200500710907
Energy: 2.18766432201637
Energy: 1.8391200500697025
Energy: 1.8381570325690408
Energy: 1.8391200500710907
Energy: 1.847574229848261
Energy: 1.8296024183554238
Energy: 1.8313002744192097
Energy: 1.8296024183540356
Energy: 1.8475742298468727
Energy: 1.8296024183554238
Energy: 1.8293090791366142
Energy: 1.829393694283979
Energy: 2.186845962604104
Energy: 1.829393694283979
Energy: 1.8293090791366142
Energy: 1.829393694283979
Energy: 1.899502279302975
Energy: 1.8283150725581634
Energy: 1.8265399818459875
Energy: 1.8283150725581634
Energy: 1.899502279302975
Energy: 1.8283150725595516
Energy: 1.8277896428271418
Energy: 1.8299943062534525
Energy: 1.8490481631739268
Energy: 1.8299943062548403
Energy: 1.8277896428271418
Energy: 1.8299943062534525
Energy: 1.8281004303351538
Energy: 1.8367269079699242
Energy: 1.8354101495822333
Energy: 1.8367269079713122
Energy: 1.8281004303337658
Energy: 1.8367269079699242
Energy: 1.8371469024385292
Energy: 2.047251566520395
Energy: 1.847361811857088
Energy: 2.047251566520395
Energy: 1.8371469024399174
Energy: 2.047251566520395
Energy: 1.827516383975404
Energy: 2.162246704343209
Energy: 1.82673481493277
Energy: 2.162246704341821
Energy: 1.827516383975404
Energy: 2.162246704341821
Energy: 1.827668198862001
Energy: 1.8288040437602293
Energy: 2.014510530800715
Energy: 1.8288040437588409
Energy: 1.827668198862001
Energy: 1.8288040437588409
Energy: 1.8375554328551889
Energy: 1.807014840139235
Energy: 1.8314739758485619
Energy: 1.807014840139235
Energy: 1.8375554328551889
Energy: 1.807014840139235
Energy: 1.8370208086525193
Energy: 2.1581812431678804
Energy: 1.830534174954959
Energy: 2.158181243166492
Energy: 1.8370208086525193
Energy: 2.158181243166492
Energy: 1.8286358265061367
Energy: 1.8309707738410157
Energy: 1.8450468798251711
Energy: 1.8309707738424041
Energy: 1.8286358265061367
Energy: 1.8309707738410157
Energy: 1.8277369656915976
Energy: 2.0720248247767157
Energy: 1.8293897000239185
Energy: 2.0720248247767157
Energy: 1.8277369656915976
Energy: 2.072024824778104
Energy: 1.8300474744117232
Energy: 1.828950985589864
Energy: 1.8358575996841855
Energy: 1.8289509855912522
Energy: 1.8300474744117232
Energy: 1.828950985589864
Energy: 1.8362396834728207
Energy: 2.1457901660389913
Energy: 1.8365171141971917
Energy: 2.1457901660389913
Energy: 1.8362396834728207
Energy: 2.1457901660389913
Energy: 1.843128394084957
Energy: 2.159805210606192
Energy: 1.8442809505164321
Energy: 2.1598052106075807
Energy: 1.8431283940835688
Energy: 2.1598052106075807
Energy: 1.82958443073639
Energy: 1.8305527318570114
Energy: 1.8281504227534848
Energy: 1.8305527318570114
Energy: 1.82958443073639
Energy: 1.8305527318570114

minimum gb energy = 1.807014840139235 eV
minimum distance =  2.43759383171808 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.4276141205451345
Energy: 2.433238017426414
Energy: 2.5858328927376215
Energy: 2.433238017426414
Energy: 2.427614120542454
Energy: 2.433238017426414
Energy: 2.233315026546944
Energy: 1.8630244159455538
Energy: 1.8454393654861019
Energy: 1.8630244159450178
Energy: 2.233315026546408
Energy: 1.8630244159450178
Energy: 1.8459291302528786
Energy: 1.9509449673984463
Energy: 2.224107427246851
Energy: 1.9509449674000545
Energy: 1.8459291302528786
Energy: 1.9509449673979589
Energy: 1.862673393922263
Energy: 2.2491453504820207
Energy: 1.9519677202939265
Energy: 2.2491453504820207
Energy: 1.8626733939254796
Energy: 2.2491453504804126
Energy: 1.8426733284090426
Energy: 1.9089876711675184
Energy: 2.2679275537348538
Energy: 1.9089876711675184
Energy: 1.8426733284090426
Energy: 1.9089876711680547
Energy: 2.0081473109566135
Energy: 2.259545132842245
Energy: 1.9821617294390328
Energy: 2.259545132841709
Energy: 2.0081473109571504
Energy: 2.259545132842245
Energy: 1.8478051049239343
Energy: 1.97229857167127
Energy: 2.252853401886139
Energy: 1.9722985716701977
Energy: 1.8478051049244701
Energy: 1.9722985716718058
Energy: 2.214899412829226
Energy: 2.054626177447388
Energy: 1.8421851535899032
Energy: 2.054626177447924
Energy: 2.2148994128286894
Energy: 2.054626177447924
Energy: 1.9835246685137213
Energy: 2.260749122423361
Energy: 1.8635605203866814
Energy: 2.2607491224206804
Energy: 1.9835246685131853
Energy: 2.260749122423361
Energy: 2.460275309747229
Energy: 1.9112532098694892
Energy: 1.85012208489401
Energy: 1.9402406339947906
Energy: 2.4602753097477645
Energy: 1.9112532098689534
Energy: 1.953314415623828
Energy: 2.334863422510961
Energy: 1.9839528191448261
Energy: 2.334863422510961
Energy: 1.953314415624364
Energy: 2.334863422510425
Energy: 1.8672078718827874
Energy: 2.2693294154394232
Energy: 1.862191324033348
Energy: 2.269329415501561
Energy: 1.8672078718822513
Energy: 2.269329415500489
Energy: 1.8515395429413388
Energy: 2.06529240302819
Energy: 2.4781442646563727
Energy: 2.065292403029798
Energy: 1.8515395429418748
Energy: 2.0652924030292623
Energy: 1.8636954912486299
Energy: 2.4996452161619125
Energy: 2.4278177744471905
Energy: 2.4996452161624485
Energy: 1.863695491249166
Energy: 2.4996452161624485
Energy: 1.848634098266026
Energy: 2.572564779309885
Energy: 1.949913594126905
Energy: 2.5725647793104205
Energy: 1.848634098266026
Energy: 2.572564779309885
Energy: 1.9527350903933067
Energy: 2.335670151918915
Energy: 1.8623149184523655
Energy: 2.4400776558942154
Energy: 1.95273509039277
Energy: 2.335670151919451
Energy: 1.967641788619757
Energy: 2.425885939284749
Energy: 1.862094496062119
Energy: 2.425885939284213
Energy: 1.967641788619757
Energy: 2.4258859392863577
Energy: 2.436884400880337
Energy: 2.215868572113271
Energy: 1.8580122448085514
Energy: 2.2158685721100544
Energy: 2.436884400880873
Energy: 2.2158685721095184
Energy: 2.1960398200177265
Energy: 2.184265182463688
Energy: 1.8416506749735735
Energy: 2.18426518246476
Energy: 2.1960398199952107
Energy: 2.184265182463688
Energy: 1.8416768968063955
Energy: 2.1455256350302965
Energy: 1.8412619893223985
Energy: 2.5685041025359863
Energy: 1.8416768968058594
Energy: 2.14552563498741
Energy: 1.841810113287578
Energy: 2.184268589062504
Energy: 2.4231439934485084
Energy: 2.184268589063576
Energy: 1.841810113287578
Energy: 2.184268589064112
Energy: 1.858000262873775
Energy: 2.217521932841372
Energy: 2.4453797126222434
Energy: 2.217521932841908
Energy: 1.8580002628743113
Energy: 2.217521932841908
Energy: 1.8493860102979631
Energy: 2.4239299455330694
Energy: 1.9675943124757613
Energy: 2.4239299455330694
Energy: 1.8493860102984994
Energy: 2.4239299455330694
Energy: 1.8621958208140885
Energy: 2.286187887578498
Energy: 1.9531817556086355
Energy: 2.329726238236111
Energy: 1.8621958208130158
Energy: 2.286187887578498
Energy: 1.949432533170085
Energy: 2.5725382816832862
Energy: 1.8618191432346431
Energy: 2.57253828168275
Energy: 1.949432533171693
Energy: 2.57253828168275
Energy: 2.4280895497497865
Energy: 2.4996324504799468
Energy: 1.8635426456498545
Energy: 2.4996324504799468
Energy: 2.4280895497503225
Energy: 2.4996324504804828
Energy: 2.4783441658131866
Energy: 2.0588505044551773
Energy: 1.851911070404316
Energy: 2.058850504453569
Energy: 2.478344165813723
Energy: 2.058850504488415
Energy: 1.8622110197558581
Energy: 2.260946895031635
Energy: 1.8667521872593398
Energy: 2.2609468950348517
Energy: 1.862211019755322
Energy: 2.2609468950310996
Energy: 1.9827875172470837
Energy: 2.3381858657531276
Energy: 1.9534696481030658
Energy: 2.338185865753663
Energy: 1.9827875172470837
Energy: 2.3381858657531276
Energy: 1.850144272678159
Energy: 2.0326049924548926
Energy: 2.460113697865005
Energy: 2.0326049924548926
Energy: 1.850144272678159
Energy: 2.032604992454357
Energy: 1.8639511124892523
Energy: 2.2609351493152077
Energy: 1.983272395887223
Energy: 2.2609351493152077
Energy: 1.8639511124897883
Energy: 2.2609351493135987
Energy: 1.842186906673973
Energy: 2.056141849847201
Energy: 2.21475967017613
Energy: 2.0561418508181513
Energy: 1.842186906673973
Energy: 2.0561418491130548
Energy: 2.2531704405109303
Energy: 1.971740374505464
Energy: 1.847807417806406
Energy: 1.971740374506
Energy: 2.2531704405109303
Energy: 1.971740374506
Energy: 1.9822070704084094
Energy: 2.2593078747076913
Energy: 2.006953735506574
Energy: 2.2593078747082274
Energy: 1.9822070704078734
Energy: 2.2593078747082274
Energy: 2.235676513984517
Energy: 1.9089876711701987
Energy: 1.8426523454998287
Energy: 1.9089876711701987
Energy: 2.2356765139850534
Energy: 1.9089876711701987
Energy: 1.952130496756376
Energy: 2.250803585773321
Energy: 1.8619089557278332
Energy: 2.2508035857770734
Energy: 1.952130496756376
Energy: 2.2508035857754654
Energy: 2.2238674031595997
Energy: 1.9491410941485237
Energy: 1.8454907398733518
Energy: 1.9491410941474514
Energy: 2.2238674031595997
Energy: 1.9491410941479876
Energy: 1.8454326390825573
Energy: 1.8627021977761098
Energy: 2.233362455976202
Energy: 1.862702197775574
Energy: 1.8454326390825573
Energy: 1.8627021977745017
Energy: 2.252779584501233
Energy: 2.433238017426414
Energy: 2.4276141205445985
Energy: 2.433238017426414
Energy: 2.252779584501769
Energy: 2.43323801742695
Energy: 1.8454393654855659
Energy: 1.8630244159450178
Energy: 2.233315026546408
Energy: 1.8630244159450178
Energy: 1.8454393654855659
Energy: 1.8630244159450178
Energy: 2.2241074272484593
Energy: 1.9509449673989823
Energy: 1.8459291302539504
Energy: 1.9509449673979589
Energy: 2.2241074272500674
Energy: 1.9509449674000545
Energy: 1.9519677202933905
Energy: 2.2491453504825567
Energy: 1.8626733939260156
Energy: 2.2491453504804126
Energy: 1.9519677202933905
Energy: 2.2491453504820207
Energy: 2.26792755373539
Energy: 1.9089876711680547
Energy: 1.8426733284095789
Energy: 1.9089876711680547
Energy: 2.2679275537348538
Energy: 1.9089876711675184

minimum gb energy = 1.8412619893223985 eV
minimum distance =  2.41384920633926 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.9952316308930163
Energy: 2.4119491163903612
Energy: 2.2777907496480108
Energy: 2.4119491163894886
Energy: 1.9952316308921432
Energy: 2.411949116388616
Energy: 1.9936280748591386
Energy: 1.8231118948564802
Energy: 1.822986294567709
Energy: 1.8231118948564802
Energy: 1.9936280748591386
Energy: 1.8231118948556069
Energy: 1.8049277235828012
Energy: 1.9937193056343416
Energy: 2.214905995709997
Energy: 1.9937193056334692
Energy: 1.8049277235828012
Energy: 1.993719305635215
Energy: 2.1244256526466665
Energy: 1.9609120541769778
Energy: 1.9599188446477944
Energy: 1.9609120541769778
Energy: 2.1244256526466665
Energy: 1.960912054175232
Energy: 1.8113760033567117
Energy: 1.8952830632483098
Energy: 2.0771438076892452
Energy: 1.895283063246564
Energy: 1.8113760033567117
Energy: 1.895283063244818
Energy: 1.9946657033886854
Energy: 1.9602833612152148
Energy: 1.9601485923207473
Energy: 1.9602833612125963
Energy: 1.9946657039497073
Energy: 1.9602833612125963
Energy: 1.811348032756428
Energy: 1.9844558708059785
Energy: 1.8214872315784527
Energy: 1.9844558708077242
Energy: 1.8113480327546823
Energy: 1.9844558708068514
Energy: 1.8048119485346037
Energy: 1.8884258199712096
Energy: 1.8230366845155723
Energy: 1.8884258199738277
Energy: 1.804811948532858
Energy: 1.8884258199843025
Energy: 1.9971819766853751
Energy: 2.450527002462714
Energy: 1.8207998669724785
Energy: 2.450527002460968
Energy: 1.9971819766845025
Energy: 2.450527002462714
Energy: 1.985849224466971
Energy: 1.8231170685741227
Energy: 1.8388953143679467
Energy: 1.823117068568013
Energy: 1.9858492244678438
Energy: 1.8231170685688856
Energy: 1.8112375938469125
Energy: 2.1282009420110097
Energy: 1.963271819966242
Energy: 2.128200942008391
Energy: 1.8112375938469125
Energy: 2.128200942008391
Energy: 1.8955161156410338
Energy: 1.9652698444854826
Energy: 1.9659833095500816
Energy: 1.9652698444881012
Energy: 1.895516115640161
Energy: 1.9652698444898469
Energy: 1.8153235455604206
Energy: 2.2644732858302343
Energy: 1.9612381245383048
Energy: 2.264473285835472
Energy: 1.8153235455604206
Energy: 2.2644732858293617
Energy: 1.9910812169924887
Energy: 2.303787394786028
Energy: 1.9667495016152314
Energy: 2.3037873947842824
Energy: 1.9910812169924887
Energy: 2.3037873947842824
Energy: 1.8042926926965637
Energy: 1.9840988516477565
Energy: 1.820792099319201
Energy: 1.9840988516468838
Energy: 1.8042926926974368
Energy: 1.9840988516503753
Energy: 2.3543047431329467
Energy: 2.2193289437377146
Energy: 1.8385683344290447
Energy: 2.219328943736841
Energy: 2.354304743138184
Energy: 2.21932894373946
Energy: 2.007546563637971
Energy: 2.5084436205464242
Energy: 1.821638854891475
Energy: 2.5084436205499157
Energy: 2.0075465636397167
Energy: 2.5084436205499157
Energy: 1.9810645917685765
Energy: 1.9847836565075094
Energy: 1.8218571712001208
Energy: 1.9847836565135402
Energy: 1.9810645917694496
Energy: 1.984783656510128
Energy: 1.804578946447861
Energy: 2.1299523717109996
Energy: 1.9616626935285744
Energy: 2.1299523717144915
Energy: 1.8045789464469881
Energy: 2.129952371708381
Energy: 1.9862088159247384
Energy: 2.5266415719234177
Energy: 1.9790044694838347
Energy: 2.5266415719242903
Energy: 1.9862088159238656
Energy: 2.5266415719242903
Energy: 1.810100444228849
Energy: 2.2637824564951314
Energy: 1.9616089111407402
Energy: 2.2637824564951314
Energy: 1.810100444228849
Energy: 2.2637824564960045
Energy: 1.8044451614914645
Energy: 2.130103780908096
Energy: 1.9804283431137735
Energy: 2.1301037807030485
Energy: 1.80444516149321
Energy: 2.1301037807205065
Energy: 1.8039609008650337
Energy: 1.9867646783765698
Energy: 1.821065771777807
Energy: 1.9867646783791884
Energy: 1.8039609008659068
Energy: 1.9867646783791884
Energy: 2.017241664554359
Energy: 2.522538890368164
Energy: 1.821435482233081
Energy: 2.522538890368164
Energy: 2.017241664554359
Energy: 2.5225388903690367
Energy: 1.9988904348715413
Energy: 2.2761144691362563
Energy: 1.8216612921756516
Energy: 2.276114469132765
Energy: 1.99889043486805
Energy: 2.2761144691310196
Energy: 1.8039862790539645
Energy: 1.9858618443262381
Energy: 1.8200684156371978
Energy: 1.9858618443236193
Energy: 1.8039862790530914
Energy: 1.9858618443236193
Energy: 1.8045214410424604
Energy: 2.1310060347404667
Energy: 1.9715962496493533
Energy: 2.131006034743958
Energy: 1.8045214410407147
Energy: 2.1310060347395936

minimum gb energy = 1.8039609008650337 eV
minimum distance =  2.35954720481178 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 2.04349438381554
Energy: 2.3748494142536574
Energy: 2.3964639317132317
Energy: 2.3748494142523855
Energy: 2.04349438381554
Energy: 2.3748494142523855
Energy: 2.01951473736343
Energy: 1.860905000671178
Energy: 1.8300830311525833
Energy: 1.860905000671178
Energy: 2.019514737364066
Energy: 1.860905000671178
Energy: 1.829333328517333
Energy: 2.0092254911835576
Energy: 2.10486851810361
Energy: 2.0092254911841936
Energy: 1.829333328517969
Energy: 2.009225491182922
Energy: 2.3544740929060763
Energy: 2.345365727030408
Energy: 1.9875929653881719
Energy: 2.345365727029772
Energy: 2.3544740929060763
Energy: 2.3453657270310444
Energy: 1.846871783177796
Energy: 1.936012359754283
Energy: 2.080447068731025
Energy: 1.9360123597441068
Energy: 1.846871783177796
Energy: 1.9360123597332954
Energy: 2.3343893169253427
Energy: 1.9784566239470291
Energy: 1.8456138282403183
Energy: 1.9784566239470291
Energy: 2.3343893169240704
Energy: 1.9784566239463932
Energy: 1.8495950481271166
Energy: 1.9780165238665695
Energy: 1.859890563605776
Energy: 1.9780165238659335
Energy: 1.8495950481277528
Energy: 1.9780165238659335
Energy: 2.098609443292382
Energy: 1.9320738438876828
Energy: 1.8463659734584297
Energy: 1.9320738438870466
Energy: 2.098609443292382
Energy: 1.9320738438845027
Energy: 1.9892714677567498
Energy: 2.345731476504286
Energy: 2.3595796493516796
Energy: 2.345731476504922
Energy: 1.9892714677567498
Energy: 2.345731476504922
Energy: 2.1957854748072947
Energy: 2.0106374616745395
Energy: 1.83014820335878
Energy: 2.010637461675176
Energy: 2.1957854747481487
Energy: 2.010637461675176
Energy: 1.8332011777102593
Energy: 1.9132971796504172
Energy: 2.352262667518792
Energy: 1.913297179651689
Energy: 1.833201177709623
Energy: 1.913297179651689
Energy: 1.8603694784125837
Energy: 2.5477334872256368
Energy: 2.047394942577176
Energy: 2.547733487224365
Energy: 1.8603694784119478
Energy: 2.5477334872256368
Energy: 1.8290485405393357
Energy: 1.8581608461106893
Energy: 2.0267966730756304
Energy: 1.8581608461100534
Energy: 1.829048540539972
Energy: 1.8581608461100534
Energy: 1.9906661432941732
Energy: 2.1010954149527996
Energy: 1.830056926927236
Energy: 2.1010954149521637
Energy: 1.9906661432903574
Energy: 2.1010954149521637
Energy: 1.997012266719693
Energy: 2.31029653790749
Energy: 1.8870554722861337
Energy: 2.3102954102288416
Energy: 1.997012266719693
Energy: 2.3102960485273925
Energy: 1.9780046619637521
Energy: 2.011270818152591
Energy: 1.8445682995383874
Energy: 2.0112708181843324
Energy: 1.9780046619637521
Energy: 2.011270818227579
Energy: 1.844932580835029
Energy: 2.119831795364943
Energy: 1.991652386073487
Energy: 2.1198317953668506
Energy: 1.844932580835029
Energy: 2.1198317953471353
Energy: 1.8571738091891046
Energy: 1.979637263734643
Energy: 1.8447407345715334
Energy: 1.979637263735279
Energy: 1.8571738091878325
Energy: 1.9796372637365507
Energy: 1.8689259943482024
Energy: 2.0790157998754757
Energy: 1.9894350649203603
Energy: 2.079015799876112
Energy: 1.8689259943469303
Energy: 2.079015799876112
Energy: 1.8304945453820656
Energy: 2.2671776282965643
Energy: 1.9904175255549943
Energy: 2.267177628285117
Energy: 1.8304945453827015
Energy: 2.267177628298473
Energy: 1.8304692316105826
Energy: 2.011863275287098
Energy: 1.857859854094662
Energy: 2.011863275289006
Energy: 1.8304692316099467
Energy: 2.011863275290278
Energy: 2.5860451905118924
Energy: 2.106030646724524
Energy: 1.8294367848502748
Energy: 2.1060306467448755
Energy: 2.5860451905131643
Energy: 2.1060306468484824
Energy: 2.5688921593393683
Energy: 2.1944460396156265
Energy: 1.85969685029457
Energy: 2.1944460396168988
Energy: 2.5688921593387324
Energy: 2.1944460396156265
Energy: 1.8278259461835045
Energy: 2.012573917271135
Energy: 1.859963361465513
Energy: 2.012573917271135
Energy: 1.8278259461828685
Energy: 2.0125739172704993
Energy: 1.8296628423490313
Energy: 2.2594380371701277
Energy: 1.989354516929422
Energy: 2.2594380371707636
Energy: 1.8296628423490313
Energy: 2.2594380371682194
Energy: 1.869011217902035
Energy: 2.2949741114351836
Energy: 1.9886715289724013
Energy: 2.2949741114358195
Energy: 1.869011217901399
Energy: 2.2949741114351836
Energy: 1.8706810504394669
Energy: 2.010308107942496
Energy: 1.980822457948074
Energy: 2.0103081072407187
Energy: 1.8706810504388307
Energy: 2.010308109745332
Energy: 1.978106039644952
Energy: 2.5931329812918777
Energy: 1.9773404160792902
Energy: 2.593132981291242
Energy: 1.978106039643044
Energy: 2.5931329812918777
Energy: 1.977296435948401
Energy: 2.010219660748111
Energy: 1.8650105436444262
Energy: 2.010219610804377
Energy: 1.977296435949037
Energy: 2.0102196582472565
Energy: 1.989853794073288
Energy: 2.2968217973170377
Energy: 1.869175381743705
Energy: 2.2968217973246703
Energy: 1.98985379407456
Energy: 2.296821797305648
Energy: 1.9888949981941566
Energy: 2.2596282244664305
Energy: 1.8298691244129046
Energy: 2.259628224470883
Energy: 1.9888949981941566
Energy: 2.2596282244638863
Energy: 1.8599180730791418
Energy: 2.0134128706647125
Energy: 1.83290354917916
Energy: 2.0134128706634407
Energy: 1.8599180730791418
Energy: 2.0134128706647125
Energy: 1.860874267517887
Energy: 2.195230800695279
Energy: 2.3033987922985104
Energy: 2.1952308006946435
Energy: 1.860874267517887
Energy: 2.1952308006946435
Energy: 1.8293481387384292
Energy: 2.1051085219722885
Energy: 2.588681977635391
Energy: 2.1051085219691092
Energy: 1.8293481387384292
Energy: 2.1051085219634427
Energy: 1.8574151807029535
Energy: 2.0135161490119264
Energy: 1.829337751885445
Energy: 2.0135161490119264
Energy: 1.8574151807035895
Energy: 2.0135161490119264
Energy: 2.0031039534302355
Energy: 2.263283495799137
Energy: 1.828511448347058
Energy: 2.2632834958912964
Energy: 2.0031039534302355
Energy: 2.263283495839204

minimum gb energy = 1.8278259461828685 eV
minimum distance =  2.37220287770481 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.7662175215645457
Energy: 1.7660346040707788
Energy: 2.0314916950356947
Energy: 1.7660346040698496
Energy: 1.7662175215645457
Energy: 1.766034604070301
Energy: 2.2305319105547405
Energy: 1.7674708283441574
Energy: 1.765930038569128
Energy: 1.7674708283448477
Energy: 2.2305319105545016
Energy: 1.7674708283441574
Energy: 1.7659226492832447
Energy: 1.7671837486109576
Energy: 2.2306917672792546
Energy: 1.7671837486109576
Energy: 1.7659226492830058
Energy: 1.7671837486111965
Energy: 2.423374716444944
Energy: 1.766034604070301
Energy: 1.7662175215640679
Energy: 1.7660346040705397
Energy: 2.423374716445396
Energy: 1.7660346040707788
Energy: 1.765930038569128
Energy: 1.7674708283443963
Energy: 2.2305319105549795
Energy: 1.7674708283439182
Energy: 1.765930038569128
Energy: 1.7674708283441574
Energy: 2.2306917672794935
Energy: 1.7671837486114355
Energy: 1.7659226492834839
Energy: 1.7671837486109576
Energy: 2.2306917672799718
Energy: 1.7671837486114355
Energy: 1.7662175215640679
Energy: 1.7660346040705397
Energy: 2.42337471644914
Energy: 1.7660346040700887
Energy: 1.7662175215643068
Energy: 1.7660346040710178
Energy: 2.2305319105547405
Energy: 1.7674708283446088
Energy: 1.765930038569128
Energy: 1.7674708283443963
Energy: 2.2305319105545016
Energy: 1.7674708283441574
Energy: 1.7659226492832447
Energy: 1.7671837486107185
Energy: 2.2306917672794935
Energy: 1.7671837486109576
Energy: 1.7659226492834839
Energy: 1.7671837486107185
Energy: 1.9889924813338862
Energy: 1.766034604070301
Energy: 1.7662175215640679
Energy: 1.7660346040705397
Energy: 1.988992481334125
Energy: 1.7660346040696104

minimum gb energy = 1.7659226492830058 eV
minimum distance =  2.42921025792274 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.4049650262580693
Energy: 2.027435418109641
Energy: 2.6195912356721722
Energy: 2.027435418109641
Energy: 2.4049650262580693
Energy: 2.0274354181117067
Energy: 2.4359251262286796
Energy: 1.918548872543228
Energy: 1.7950629708850558
Energy: 1.918548872533438
Energy: 2.4359251259365085
Energy: 1.9185488725411304
Energy: 1.823477264561193
Energy: 1.8227778290531917
Energy: 2.0686110892152763
Energy: 1.8227778290545902
Energy: 1.823477264561193
Energy: 1.8227778290545902
Energy: 2.545487557088016
Energy: 2.414525037967006
Energy: 1.9076215688112315
Energy: 2.414525037966307
Energy: 2.545487557088016
Energy: 2.4145250379677052
Energy: 1.8834221861476477
Energy: 1.8847686289849122
Energy: 2.499653554947
Energy: 1.8847686289849122
Energy: 1.8834221861476477
Energy: 1.8847686289856114
Energy: 2.095445335613025
Energy: 1.9107711358891406
Energy: 1.802854506117326
Energy: 1.9107711358905395
Energy: 2.0954453356109273
Energy: 1.9107711358905395
Energy: 1.8835045690935583
Energy: 1.885103916860668
Energy: 2.162188296433209
Energy: 1.885103916860668
Energy: 1.8835045690935583
Energy: 1.8851039168592696
Energy: 1.8852004868480705
Energy: 2.361862511233981
Energy: 1.9096050630713897
Energy: 2.3618625112374776
Energy: 1.8852004868487697
Energy: 2.361862511238876
Energy: 1.8235497669921155
Energy: 2.278492236772117
Energy: 2.3739204923747748
Energy: 2.2784922367749134
Energy: 1.823549766990717
Energy: 2.2784922367749134
Energy: 1.8252223999823427
Energy: 1.9181148279062126
Energy: 1.793371373026198
Energy: 1.9181148279041147
Energy: 1.8252223999823427
Energy: 1.9181148279041147
Energy: 2.356983913716593
Energy: 1.7947503707426233
Energy: 1.9190187549572923
Energy: 1.7947503707286374
Energy: 2.356983913716593
Energy: 1.7947503707125543
Energy: 2.4057356031459616
Energy: 2.1742853123627897
Energy: 1.7933674755587508
Energy: 2.1742853123627897
Energy: 2.4057356031459616
Energy: 2.1742853123627897
Energy: 1.8233180363450998
Energy: 2.009491127294466
Energy: 1.7955780147200633
Energy: 2.009491127294466
Energy: 1.8233180363444002
Energy: 2.0094911272951657
Energy: 1.8250605370155457
Energy: 2.043127913932282
Energy: 1.9159015468943603
Energy: 2.0431279139329814
Energy: 1.8250605370148467
Energy: 2.043127913932282
Energy: 1.8846094344583604
Energy: 2.1661960120789274
Energy: 1.9108479513577366
Energy: 2.1661960120789274
Energy: 1.8846094344576612
Energy: 2.1661960120782284
Energy: 1.884926519135536
Energy: 2.2581606775999266
Energy: 1.7995447233045159
Energy: 2.258160677603423
Energy: 1.8849265191348366
Energy: 2.2581606776027234
Energy: 1.8845183123097742
Energy: 2.2446509984689627
Energy: 1.8004774637594085
Energy: 2.2446509984703615
Energy: 1.8845183123104734
Energy: 2.2446509984703615
Energy: 1.8844025794605739
Energy: 2.069197435136872
Energy: 1.9096511430765133
Energy: 2.0691974351375713
Energy: 1.884402579459175
Energy: 2.0691974351382707
Energy: 1.82342310292205
Energy: 2.04306971975924
Energy: 1.91004055721661
Energy: 2.04306971975854
Energy: 1.82342310292205
Energy: 2.04306971975924
Energy: 1.8235007201832796
Energy: 1.9214431699808712
Energy: 1.7949793422771934
Energy: 1.9214431699794725
Energy: 1.8235007201825804
Energy: 1.9214431699801722
Energy: 2.383595629200195
Energy: 2.173730597689642
Energy: 1.7937079471396529
Energy: 2.1737305976882437
Energy: 2.3835956292008946
Energy: 2.1737305976889427
Energy: 2.3593611826700656
Energy: 1.7929970100914918
Energy: 1.915959751936126
Energy: 1.7929970100935895
Energy: 2.3593611826700656
Energy: 1.7929970100907924
Energy: 1.8244537831049576
Energy: 1.9178274863599658
Energy: 1.7938201079726879
Energy: 1.9178274863592668
Energy: 1.8244537831049576
Energy: 1.9178274863592668
Energy: 1.8232643906832902
Energy: 2.278130748373991
Energy: 2.373343606458049
Energy: 2.278130748373991
Energy: 1.8232643906839892
Energy: 2.2781307483732918
Energy: 1.8859406646671268
Energy: 2.0692764664595744
Energy: 1.9127589447960118
Energy: 2.069276466461672
Energy: 1.8859406646629306
Energy: 2.069276466461672
Energy: 1.884878890657457
Energy: 2.074870194536119
Energy: 1.9126213414938955
Energy: 2.074870194536119
Energy: 1.884878890657457
Energy: 2.0748701945382164
Energy: 1.8851764708236938
Energy: 2.1592626683991005
Energy: 1.8028104158051008
Energy: 2.1592626683977016
Energy: 1.8851764708236938
Energy: 2.1592626683977016
Energy: 1.8849616001206042
Energy: 2.032519855269266
Energy: 2.3725425177557034
Energy: 2.0325198552699657
Energy: 1.8849616001206042
Energy: 2.032519855269266
Energy: 2.0324443841059585
Energy: 2.2999750445083773
Energy: 1.9080825559249612
Energy: 2.299975044507678
Energy: 2.032444384103161
Energy: 2.2999750445083773
Energy: 1.8251251946968026
Energy: 1.8238859954988647
Energy: 2.0955703297496666
Energy: 1.8238859955002633
Energy: 1.8251251946968026
Energy: 1.8238859955002633
Energy: 2.4370419044880465
Energy: 1.9270806350429985
Energy: 1.7999048136126206
Energy: 1.9270806350416005
Energy: 2.4370419044936407
Energy: 1.9270806350416005
Energy: 2.36312758838219
Energy: 2.346891634545166
Energy: 1.927026916279626
Energy: 2.3468916345444666
Energy: 2.363127588380092
Energy: 2.346891634545166
Energy: 2.436905347069234
Energy: 1.917170354357849
Energy: 1.7933194411760922
Energy: 1.9171703543585485
Energy: 2.436905347069234
Energy: 1.917170354357849

minimum gb energy = 1.7929970100907924 eV
minimum distance =  2.40763230050241 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.8901395200100892
Energy: 1.882700169920396
Energy: 2.6038375636858544
Energy: 1.882700169920396
Energy: 1.8901395200100892
Energy: 1.882700169921392
Energy: 2.491624309814875
Energy: 1.8297478101083282
Energy: 1.8181496508962276
Energy: 1.8297478101083282
Energy: 2.4916243097600734
Energy: 1.8297478101083282
Energy: 1.840974325945925
Energy: 1.9294882375370588
Energy: 2.153495283887353
Energy: 1.929488237538055
Energy: 1.840974325945925
Energy: 1.9294882375370588
Energy: 2.490332943894913
Energy: 2.3006593954833727
Energy: 1.8209108259399935
Energy: 2.300659395484369
Energy: 2.490332943894913
Energy: 2.300659395484369
Energy: 1.8162942527134887
Energy: 2.530982394772957
Energy: 2.497091266741333
Energy: 2.5309823947719603
Energy: 1.8162942527124926
Energy: 2.5309823947719603
Energy: 1.8186410213564466
Energy: 2.341863448385887
Energy: 1.8180335646697192
Energy: 2.341863448386883
Energy: 1.8186410213554498
Energy: 2.341863448385887
Energy: 1.8409271621676475
Energy: 1.8320607758272587
Energy: 1.8377256639244888
Energy: 1.8320607758262626
Energy: 1.8409271621676475
Energy: 1.8320607758262626
Energy: 1.8314504788112809
Energy: 2.262722044344829
Energy: 2.470281669004554
Energy: 2.262722044369739
Energy: 1.8314504788112809
Energy: 2.2627220443687426
Energy: 1.845485023900737
Energy: 2.1529918061155002
Energy: 2.4800947145885206
Energy: 2.152991806114504
Energy: 1.845485023900737
Energy: 2.1529918061155002
Energy: 1.853580317470523
Energy: 1.8320600390721753
Energy: 1.8495308707876457
Energy: 1.8320600390721753
Energy: 1.853580317470523
Energy: 1.8320600390711792
Energy: 1.8288936763224486
Energy: 2.275649001111157
Energy: 1.837205441676338
Energy: 2.275649001112153
Energy: 1.8288936763224486
Energy: 2.2756490011131496
Energy: 1.8320576813416045
Energy: 1.9529961707606869
Energy: 1.8321154264317543
Energy: 1.9529961707606869
Energy: 1.8320576813416045
Energy: 1.9529961707606869
Energy: 1.8371807548561851
Energy: 2.2751544693030437
Energy: 1.8289019914045117
Energy: 2.275154469301051
Energy: 1.837180754855189
Energy: 2.275154469301051
Energy: 1.849613735654315
Energy: 1.8324782692193553
Energy: 1.8536087834453578
Energy: 1.832478269218359
Energy: 1.8496137356553115
Energy: 1.832478269218359
Energy: 2.4800537722806597
Energy: 2.1528112869279634
Energy: 1.8452483432465447
Energy: 2.152811303613099
Energy: 2.4800537722816562
Energy: 2.1528113068250154
Energy: 2.4703506541807205
Energy: 2.26332634623603
Energy: 1.8305108077165908
Energy: 2.2633263462350333
Energy: 2.4703506541807205
Energy: 2.2633263462350333
Energy: 1.8373999548127904
Energy: 1.8323035160821077
Energy: 1.8128082193114459
Energy: 1.8323035160821077
Energy: 1.8373999548117943
Energy: 1.8323035160831043
Energy: 1.8177944118870037
Energy: 2.3425727256679405
Energy: 1.8262552606938196
Energy: 2.3425727256679405
Energy: 1.8177944118860072
Energy: 2.3425727256689366
Energy: 2.4970884147863557
Energy: 2.531023110803929
Energy: 1.816787987403928
Energy: 2.5310231108029324
Energy: 2.497088414785359
Energy: 2.5310231108029324
Energy: 1.8210069223438403
Energy: 2.300442378264048
Energy: 2.490386192955411
Energy: 2.300442378266041
Energy: 1.8210069223438403
Energy: 2.300442378266041
Energy: 2.1534194051198563
Energy: 1.9294882375370588
Energy: 1.8383851972302392
Energy: 1.9294882375360625
Energy: 2.1534194051198563
Energy: 1.9294882375370588
Energy: 1.8181280898078735
Energy: 1.830264454261214
Energy: 2.4879331494985975
Energy: 1.8302644542622104
Energy: 1.8181280898078735
Energy: 1.830264454261214
Energy: 2.6038375636858544
Energy: 1.882700169920396
Energy: 1.8901395200100892
Energy: 1.882700169920396
Energy: 2.6038375636858544
Energy: 1.882700169921392

minimum gb energy = 1.8128082193114459 eV
minimum distance =  2.46798927203732 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.2324698651820616
Energy: 1.8542292383363845
Energy: 2.5459388775222247
Energy: 1.854229238337649
Energy: 2.2324698651820616
Energy: 1.854229238337649
Energy: 2.5507102180919876
Energy: 2.1970046130310115
Energy: 1.8094527678979264
Energy: 2.1970046130310115
Energy: 2.5507102180919876
Energy: 2.1970046130310115
Energy: 1.8107659554067133
Energy: 1.8919071283093307
Energy: 2.3699281133569547
Energy: 1.8919071283099627
Energy: 1.8107659554067133
Energy: 1.8919071283099627
Energy: 1.9006436416599208
Energy: 2.236827818420727
Energy: 1.8309462180929625
Energy: 2.2368278184200947
Energy: 1.9006436416599208
Energy: 2.2368278184200947
Energy: 2.1509506221632786
Energy: 2.3246775463196507
Energy: 2.110702297330863
Energy: 2.3246775463183864
Energy: 2.1509506221651753
Energy: 2.3246775463196507
Energy: 2.13849005227244
Energy: 2.1497916615534307
Energy: 1.8198193872148958
Energy: 2.149791661554695
Energy: 2.1384900522730725
Energy: 2.071596760893558
Energy: 1.8081150757096078
Energy: 1.8269122811362033
Energy: 1.8314153467552916
Energy: 1.8269122811362033
Energy: 1.8081150757096078
Energy: 1.8269122811368352
Energy: 1.8310540685709409
Energy: 2.308110175005114
Energy: 2.1372107968880716
Energy: 2.308110175005114
Energy: 1.8310540685709409
Energy: 2.308110175005746
Energy: 2.113974025948229
Energy: 2.1122571231728906
Energy: 2.140062581143542
Energy: 2.1122571231728906
Energy: 2.113974025948229
Energy: 2.1122571231728906
Energy: 1.8280518821346052
Energy: 2.0253101368225863
Energy: 1.8132388864252684
Energy: 2.1195846431221677
Energy: 1.828051882135237
Energy: 2.0253101368225863
Energy: 1.8086799090520056
Energy: 2.2859850016768624
Energy: 1.8312448392316385
Energy: 2.2859850016768624
Energy: 1.8086799090520056
Energy: 2.2859850016768624
Energy: 1.8081698388004377
Energy: 1.9350562079567326
Energy: 2.5248597964037547
Energy: 1.9350562079605254
Energy: 1.8081698388004377
Energy: 1.935056207951044
Energy: 2.1247411361471835
Energy: 2.3310846372950076
Energy: 2.2006769608611885
Energy: 2.33108463729564
Energy: 2.124741136148447
Energy: 2.3310846372950076
Energy: 1.8094755501614674
Energy: 2.240302713516784
Energy: 1.817200979541933
Energy: 2.240302713516152
Energy: 1.8094755501608355
Energy: 2.240302713516784
Energy: 2.1102246276651715
Energy: 1.8983346289867538
Energy: 1.8055709949671372
Energy: 1.8983346289867538
Energy: 2.1102246276620105
Energy: 1.8983346289867538
Energy: 1.830696816197759
Energy: 2.1953472935533402
Energy: 2.44962883455541
Energy: 2.195347293553972
Energy: 1.830696816197759
Energy: 2.1953472935533402
Energy: 2.5468319189740387
Energy: 2.028009962023471
Energy: 2.1649011561507012
Energy: 2.0280099620259993
Energy: 2.5468319189740387
Energy: 2.028009962022207
Energy: 1.8038412705274796
Energy: 1.8246468216986385
Energy: 2.4089461831683017
Energy: 1.8246468216980065
Energy: 1.8038412705274796
Energy: 1.8246468216986385
Energy: 2.1821147093144124
Energy: 1.826246157461001
Energy: 1.8059893380200858
Energy: 1.8262461574616329
Energy: 2.1821147093150444
Energy: 1.8262461574628974
Energy: 2.1761311464903805
Energy: 2.0276356620831693
Energy: 1.832714814612266
Energy: 2.027635662080641
Energy: 2.1761311464903805
Energy: 2.0276356620831693
Energy: 2.520593595870357
Energy: 2.2139569203753293
Energy: 1.8242992994165355
Energy: 2.2139569203759617
Energy: 2.520593595870989
Energy: 2.2139569203753293
Energy: 1.8062569239976294
Energy: 2.1773287220949515
Energy: 2.1102442115483653
Energy: 2.177328722094319
Energy: 1.8062569239969972
Energy: 2.177328722094319
Energy: 1.8320058734986109
Energy: 2.287087517835663
Energy: 1.8036529636795715
Energy: 2.287087517835663
Energy: 1.8320058734986109
Energy: 2.287087517835663
Energy: 2.205348125787508
Energy: 2.3794237740620225
Energy: 1.8074364625186126
Energy: 2.3794237740607587
Energy: 2.205348125787508
Energy: 2.3794237740620225
Energy: 2.5079196055064275
Energy: 1.9372627281907495
Energy: 1.8076678496708973
Energy: 1.937262729060106
Energy: 2.5079196055064275
Energy: 1.9372627288819138
Energy: 1.8277683241450315
Energy: 2.2815474731365457
Energy: 1.8081030401650295
Energy: 2.2815474731365457
Energy: 1.8277683241450315
Energy: 2.2815474731365457
Energy: 1.8053848758157154
Energy: 2.176959826827064
Energy: 2.1137155664976905
Energy: 2.176959826827064
Energy: 1.8053848758157154
Energy: 2.176959826827064
Energy: 2.1384157155134877
Energy: 2.101235040639598
Energy: 1.8276797733677
Energy: 2.1012350407179774
Energy: 2.1384157155134877
Energy: 2.1012350406554
Energy: 2.139747279167237
Energy: 2.3082247183147246
Energy: 1.8316111571994496
Energy: 2.3082247183147246
Energy: 2.139747279166605
Energy: 2.3082247183147246
Energy: 1.831272231364283
Energy: 1.8278486267229987
Energy: 1.8043196060733855
Energy: 1.8278486267229987
Energy: 1.8312722313649152
Energy: 1.8278486267223666
Energy: 1.8086016662817619
Energy: 2.0737225750892323
Energy: 2.5205055941858556
Energy: 2.0737225750898642
Energy: 1.8086016662817619
Energy: 2.0737225750892323
Energy: 2.1126457036184867
Energy: 2.0375250400497245
Energy: 2.176532738204424
Energy: 2.0375250400503564
Energy: 2.112645703621015
Energy: 2.0375250400497245
Energy: 1.8279095412138766
Energy: 2.175231333090929
Energy: 2.2228642400957415
Energy: 2.175231333090929
Energy: 1.8279095412138766
Energy: 2.175231333090929
Energy: 2.3917674557198394
Energy: 1.8919087074973455
Energy: 1.812306434893968
Energy: 1.891908707497978
Energy: 2.3917674557204713
Energy: 1.891908707497978
Energy: 1.8065588862323465
Energy: 2.190107947039675
Energy: 2.328844593585908
Energy: 2.190107947041571
Energy: 1.8065588862323465
Energy: 2.190107947041571
Energy: 2.126023366178521
Energy: 2.0650736084658656
Energy: 2.2226886309319607
Energy: 2.0650736084646013
Energy: 2.126023366178521
Energy: 2.0650736084652332
Energy: 1.8043515283595044
Energy: 2.3191445967978743
Energy: 2.539019283241328
Energy: 2.3191445967902893
Energy: 1.8043515283595044
Energy: 2.319144596691108

minimum gb energy = 1.8036529636795715 eV
minimum distance =  2.37240277942904 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.6920674358181738
Energy: 1.6541606751382139
Energy: 2.7707443051165144
Energy: 1.6541606751364881
Energy: 1.6920674358181738
Energy: 1.6541606751330364
Energy: 2.5061450077993723
Energy: 1.6461744141557952
Energy: 1.6459292350199877
Energy: 1.6461744141540693
Energy: 2.5061450077993723
Energy: 1.6461744141540693
Energy: 1.6926246931649696
Energy: 1.9166188934158053
Energy: 1.6489262603949688
Energy: 1.916618893419257
Energy: 1.6926246931649696
Energy: 1.9166188934175308
Energy: 2.46593640560724
Energy: 1.648907260169652
Energy: 1.645969241085654
Energy: 1.648907260169652
Energy: 2.465936405610691
Energy: 1.648907260169652
Energy: 1.6898700061965681
Energy: 2.25314781416737
Energy: 1.649855118534992
Energy: 2.25314781416737
Energy: 1.6898700061965681
Energy: 2.25314781416737
Energy: 1.693551183225321
Energy: 1.7243169284856925
Energy: 1.6479908926874838
Energy: 1.7243169284874182
Energy: 1.693551183225321
Energy: 1.7243169284874182
Energy: 2.461995222290475
Energy: 1.6468114269796443
Energy: 1.6537175482499726
Energy: 1.6468114269796443
Energy: 2.461995222290475
Energy: 1.6468114269796443
Energy: 1.694603323399928
Energy: 1.6469392789749921
Energy: 1.6585718119526816
Energy: 1.6469392789801696
Energy: 1.694603323399928
Energy: 1.6469392789749921
Energy: 2.3622129183661866
Energy: 1.7228557934572521
Energy: 1.6467858742404287
Energy: 1.7228557934555264
Energy: 2.3622129183679124
Energy: 1.7228557934572521
Energy: 1.6949405523011147
Energy: 1.6476020874265127
Energy: 1.64699996865459
Energy: 1.6476020874282382
Energy: 1.6949405523011147
Energy: 1.6476020874282382
Energy: 2.376533530588869
Energy: 1.6467665508951597
Energy: 1.6523686676790152
Energy: 1.6467665547092223
Energy: 2.376533530588869
Energy: 1.646766559161557
Energy: 1.685931906537298
Energy: 1.9087978180958645
Energy: 2.4123115124087096
Energy: 1.9087978180958645
Energy: 1.6859319065355722
Energy: 1.9087978180958645
Energy: 2.377268323770816
Energy: 1.6466058547361042
Energy: 1.6523980476560263
Energy: 1.6466058547309268
Energy: 2.377268323770816
Energy: 1.6466058547050397
Energy: 1.694354391758278
Energy: 1.6476744759516833
Energy: 1.646322215311994
Energy: 1.6476744759516833
Energy: 1.694354391758278
Energy: 1.6476744759534092

minimum gb energy = 1.6459292350199877 eV
minimum distance =  2.54566589720682 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.3030171043383163
Energy: 1.9159440731681556
Energy: 2.4286967006559554
Energy: 1.9159440731727047
Energy: 2.3030171043375582
Energy: 1.9159440731643647
Energy: 2.274964935541008
Energy: 2.440695424325515
Energy: 1.9013751298620933
Energy: 2.4406954243247565
Energy: 2.274964935541008
Energy: 2.4406954243247565
Energy: 1.9044308125688234
Energy: 2.067926711878207
Energy: 1.9054286858685183
Energy: 2.067926711878207
Energy: 1.9044308125680651
Energy: 2.067926711878207
Energy: 1.9229252482609807
Energy: 2.0323359608278113
Energy: 1.9014424632775457
Energy: 2.0323359608285694
Energy: 1.9229252482609807
Energy: 2.0323359608293274
Energy: 2.187846381496117
Energy: 2.1610263241083643
Energy: 1.9288422795117381
Energy: 2.1610263241083643
Energy: 2.1878463814953584
Energy: 2.161026324109122
Energy: 1.9519668220709816
Energy: 2.2037453902532507
Energy: 2.1804265489223957
Energy: 2.203745390252492
Energy: 1.9519668220709816
Energy: 2.2037453902532507
Energy: 1.9235838867941457
Energy: 2.2090514123390443
Energy: 1.9512477946519198
Energy: 2.2090514123390443
Energy: 1.9235838867941457
Energy: 2.2090514123390443
Energy: 1.9050427148569904
Energy: 2.030945414360892
Energy: 2.0092482039090362
Energy: 2.030945414360892
Energy: 1.9050427148569904
Energy: 2.030945414360892
Energy: 2.186925942628033
Energy: 2.125013491445396
Energy: 1.9010001408189037
Energy: 2.125013491445396
Energy: 2.186925942628791
Energy: 2.125013491445396
Energy: 1.9028852723328127
Energy: 2.4437192770988188
Energy: 2.042310322127597
Energy: 2.4437192770988188
Energy: 1.90288527232978
Energy: 2.4437192770988188
Energy: 2.212688392666367
Energy: 2.003137276301924
Energy: 2.2421663569609893
Energy: 2.003137276301924
Energy: 2.212688392666367
Energy: 2.003137276301924
Energy: 1.9012825391358665
Energy: 2.2027789658863832
Energy: 2.218671843124369
Energy: 2.2027789658871413
Energy: 1.9012825391351085
Energy: 2.2027789658863832
Energy: 1.9031907891772608
Energy: 2.2480314030137243
Energy: 2.0466994545808346
Energy: 2.2480314030137243
Energy: 1.9031907891765025
Energy: 2.2480314030137243
Energy: 1.9223879155354209
Energy: 2.1249754264570866
Energy: 1.9299950128280448
Energy: 2.1249754264570866
Energy: 1.9223879155354209
Energy: 2.1249754264570866
Energy: 1.9015143416523308
Energy: 2.345510131783047
Energy: 2.1186170400708058
Energy: 2.3455101317838056
Energy: 1.9015143416523308
Energy: 2.3455101317838056
Energy: 2.4369238820237737
Energy: 2.435608968814021
Energy: 1.9924545481120972
Energy: 2.435608968814021
Energy: 2.4369238820237737
Energy: 2.435608968814021
Energy: 1.951291135812619
Energy: 2.4326664560046014
Energy: 2.1185277353489957
Energy: 2.4326664560053595
Energy: 1.951291135812619
Energy: 2.4326664560053595
Energy: 2.190750111950789
Energy: 2.414832788010639
Energy: 1.9009078740123901
Energy: 2.414832788010639
Energy: 2.1907501119500306
Energy: 2.414832788010639
Energy: 1.9257596565341681
Energy: 1.9274747150637062
Energy: 1.9237709529342055
Energy: 1.9274747150652225
Energy: 1.9257596565341681
Energy: 1.9274747150621898
Energy: 1.9046829698750254
Energy: 2.228187954200793
Energy: 1.900431805630038
Energy: 2.228187954200793
Energy: 1.9046829698750254
Energy: 2.2281879542015512
Energy: 2.215150677687819
Energy: 2.2021633101027507
Energy: 1.9018224288473982
Energy: 2.202163310103509
Energy: 2.215150677687061
Energy: 2.202163310103509
Energy: 2.2317500818804077
Energy: 1.9185319150054927
Energy: 2.1585678530924377
Energy: 1.9185319150107993
Energy: 2.2317500818788916
Energy: 1.9185319150092832
Energy: 2.041692284931426
Energy: 2.440893581225047
Energy: 1.9425250149449043
Energy: 2.440893581225047
Energy: 2.041692284930668
Energy: 2.440893581225047
Energy: 1.9023412759320717
Energy: 2.1252127579085363
Energy: 2.2552412556885857
Energy: 2.1252127579077777
Energy: 1.9023412759313134
Energy: 2.1252127579077777
Energy: 2.01029815452299
Energy: 2.0309530089949925
Energy: 1.9028544409741814
Energy: 2.030953008995751
Energy: 2.0102981545222316
Energy: 2.030953008995751
Energy: 1.952316268905339
Energy: 2.2091423662152745
Energy: 1.9231806877416775
Energy: 2.2091423662175487
Energy: 1.9523162689060973
Energy: 2.20914236621679
Energy: 2.1813621969752877
Energy: 2.203840787612706
Energy: 2.188741848460816
Energy: 2.2038407876119477
Energy: 2.1813621969745296
Energy: 2.203840787612706
Energy: 1.9264747169796579
Energy: 2.1608473187165322
Energy: 1.9517252818328497
Energy: 2.1608473187165322
Energy: 1.9264747169796579
Energy: 2.1608473187172907
Energy: 1.9038694895489252
Energy: 2.032040634900849
Energy: 1.922738237255727
Energy: 2.032040634900849
Energy: 1.9038694895489252
Energy: 2.032040634900849
Energy: 1.90699482666694
Energy: 2.2138715062263774
Energy: 1.904115979088083
Energy: 2.2138715062263774
Energy: 1.9069948266676984
Energy: 2.2138715062256193
Energy: 1.900287478870626
Energy: 2.4416228243903335
Energy: 2.2572588778502554
Energy: 2.4416228243895755
Energy: 1.9002874788698678
Energy: 2.4416228243895755

minimum gb energy = 1.9002874788698678 eV
minimum distance =  2.42126468430233 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.9961110357944998
Energy: 2.1302520358177195
Energy: 2.114145094544501
Energy: 2.1302520358163703
Energy: 1.996111035797198
Energy: 2.1302520358177195
Energy: 1.9332550893175031
Energy: 2.0849227614092443
Energy: 1.91294355063098
Energy: 2.0849227614092443
Energy: 1.9332550893175031
Energy: 2.106780542133893
Energy: 1.9134316705335694
Energy: 2.086473931117311
Energy: 1.9137950201322507
Energy: 2.086473931117311
Energy: 1.9134316705322203
Energy: 2.0864739311186606
Energy: 1.9147861976073324
Energy: 2.347267542160969
Energy: 1.9135100701381127
Energy: 2.343726340159782
Energy: 1.9147861976073324
Energy: 2.1092926917759445
Energy: 1.913749093204834
Energy: 2.086394870135103
Energy: 1.9129316225997504
Energy: 2.086394870135103
Energy: 1.913749093204834
Energy: 2.086394870135103
Energy: 1.913113054319762
Energy: 2.1067633996506916
Energy: 1.9333986414849476
Energy: 2.1067633996506916
Energy: 1.9131130543211115
Energy: 2.1067633996506916
Energy: 2.114145094543183
Energy: 2.1302520358177195
Energy: 1.996111035797198
Energy: 2.1302520358177195
Energy: 2.114145094543183
Energy: 2.1302520358177195
Energy: 1.91294355063098
Energy: 2.106780542133893
Energy: 1.9332550893175031
Energy: 2.106780542133893
Energy: 1.91294355063098
Energy: 2.152480878662818
Energy: 1.9137950201322507
Energy: 2.086473931117311
Energy: 1.9134316705335694
Energy: 2.0864739311186606
Energy: 1.9137950201322507
Energy: 2.0864739311186606
Energy: 1.9135100701381127
Energy: 2.347267542162318
Energy: 1.9147861976059832
Energy: 2.1092926917759445
Energy: 1.9135100701381127
Energy: 2.423571772681431
Energy: 1.9129316226010997
Energy: 2.086394870135103
Energy: 1.913749093204834
Energy: 2.086394870135103
Energy: 1.9129316226010997
Energy: 2.086394870135103
Energy: 1.9333986414849476
Energy: 2.1067633996506916
Energy: 1.913113054319762
Energy: 2.1067633996506916
Energy: 1.9333986414849476
Energy: 2.1067633996506916
Energy: 1.9961110357958491
Energy: 2.1302520358177195
Energy: 2.37197114337043
Energy: 2.1302520358177195
Energy: 1.9961110357958491
Energy: 2.1302520358177195
Energy: 1.9332550893175031
Energy: 2.106780542133893
Energy: 1.912943550632329
Energy: 2.106780542133893
Energy: 1.933255089316154
Energy: 2.106780542133893
Energy: 1.9134316705335694
Energy: 2.086473931117311
Energy: 1.9137950201322507
Energy: 2.086473931117311
Energy: 1.9134316705335694
Energy: 2.086473931117311
Energy: 1.9147861976059832
Energy: 2.1092926917759445
Energy: 1.9135100701381127
Energy: 2.1092926917759445
Energy: 1.9147861976073324
Energy: 2.1092926917759445
Energy: 1.913749093204834
Energy: 2.086394870135103
Energy: 1.9129316225984014
Energy: 2.086394870135103
Energy: 1.913749093204834
Energy: 2.086394870135103

minimum gb energy = 1.9129316225984014 eV
minimum distance =  2.45184334943947 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.1803477289174187
Energy: 2.351315470957669
Energy: 2.089325005345134
Energy: 2.351315470957669
Energy: 2.1803477289185205
Energy: 2.351315470957669
Energy: 2.0802331692361284
Energy: 2.2614231011769403
Energy: 1.9890957861646152
Energy: 2.261423101178042
Energy: 2.0802331692361284
Energy: 2.261423101178042
Energy: 1.9872356955588562
Energy: 2.0804516507847866
Energy: 1.9910374996214615
Energy: 2.0804516507858883
Energy: 1.9872356955588562
Energy: 2.0804516507858883
Energy: 2.0125809540415647
Energy: 2.0759604032285126
Energy: 2.0854737413421764
Energy: 2.075960403230716
Energy: 2.0125809540415647
Energy: 2.075960403230716
Energy: 2.0909940938146545
Energy: 2.3105613641286946
Energy: 1.9909598837359221
Energy: 2.3105613641275933
Energy: 2.0909940938146545
Energy: 2.3105613641275933
Energy: 2.012879932546122
Energy: 2.0757852041209666
Energy: 2.0804915416178513
Energy: 2.075785204122068
Energy: 2.0128799325472237
Energy: 2.075785204122068
Energy: 2.0128113615503924
Energy: 2.220447500001091
Energy: 1.992706552091517
Energy: 2.220447500003294
Energy: 2.0128113615492906
Energy: 2.220447500003294
Energy: 2.0886613187876746
Energy: 2.2425346191996214
Energy: 1.9893540116974078
Energy: 2.242534619200723
Energy: 2.0886613187876746
Energy: 2.2425346191996214
Energy: 2.0857359814921073
Energy: 2.2298456349452156
Energy: 2.0954321373668607
Energy: 2.2298456348714115
Energy: 2.0857359814910064
Energy: 2.2298456349011535
Energy: 2.09606047775314
Energy: 2.119175356171082
Energy: 2.0212105829090614
Energy: 2.1191753561909095
Energy: 2.096060477752039
Energy: 2.1191753561787925
Energy: 1.9887843010393662
Energy: 2.082184285098287
Energy: 2.0854322180052765
Energy: 2.0821842850971857
Energy: 1.9887843010393662
Energy: 2.0821842850960834
Energy: 1.9857255238254914
Energy: 2.080807678497251
Energy: 2.089155688442417
Energy: 2.0808076784983527
Energy: 1.9857255238254914
Energy: 2.0808076784983527
Energy: 1.98944389357897
Energy: 2.058873273775971
Energy: 2.0361717148771024
Energy: 2.058873273775971
Energy: 1.98944389357897
Energy: 2.058873273775971
Energy: 1.9858663796706157
Energy: 2.1777982316472766
Energy: 2.0900793366436576
Energy: 2.1777982316483775
Energy: 1.9858663796717173
Energy: 2.1777982316483775
Energy: 2.09002044935537
Energy: 2.1218151029086405
Energy: 2.037491484121575
Energy: 2.1218151029108436
Energy: 2.09002044935537
Energy: 2.1218151029086405
Energy: 2.085526409036614
Energy: 2.2298519438190145
Energy: 2.088539810664865
Energy: 2.2298519438201163
Energy: 2.085526409036614
Energy: 2.2298519438201163
Energy: 2.0851591145482837
Energy: 2.2341107725292604
Energy: 2.0322464743308974
Energy: 2.2341107725281595
Energy: 2.0851591145482837
Energy: 2.2341107725292604
Energy: 2.201705417494075
Energy: 2.3371512017339926
Energy: 2.021754505745892
Energy: 2.3371512017361957
Energy: 2.201705417494075
Energy: 2.3371512017361957
Energy: 1.9897414230707933
Energy: 2.176561977153415
Energy: 2.1203866277781147
Energy: 2.1765619771523137
Energy: 1.9897414230707933
Energy: 2.1765619771523137
Energy: 1.985421996076688
Energy: 2.187376982326089
Energy: 2.0216516394620916
Energy: 2.18737698232719
Energy: 1.985421996076688
Energy: 2.187376982326089
Energy: 1.9902359892436066
Energy: 2.077308833559851
Energy: 2.0857768752997226
Energy: 2.077308833560953
Energy: 1.9902359892436066
Energy: 2.077308833560953

minimum gb energy = 1.985421996076688 eV
minimum distance =  2.4686830224651 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.239832965799955
Energy: 2.0762810724834195
Energy: 2.1276807088746414
Energy: 2.076281072484348
Energy: 2.239832965799955
Energy: 2.0762810724852767
Energy: 2.1126352886193644
Energy: 2.259312591807595
Energy: 2.0456973083751593
Energy: 2.2593125918103807
Energy: 2.112635288620293
Energy: 2.259312591809452
Energy: 2.0260932457284375
Energy: 2.0333045129623644
Energy: 2.0447262972016778
Energy: 2.0333045129605067
Energy: 2.0260932457284375
Energy: 2.0333045129623644
Energy: 2.0528893127618093
Energy: 2.182446148888838
Energy: 2.075506927948534
Energy: 2.1824461488897664
Energy: 2.0528893127618093
Energy: 2.1824461488897664
Energy: 1.9913826631433802
Energy: 2.3042530446123974
Energy: 1.9981104699768335
Energy: 2.3042530446123974
Energy: 1.9913826631433802
Energy: 2.3042530446123974
Energy: 2.0323276976639173
Energy: 2.060575952761571
Energy: 2.0131163948836264
Energy: 2.060575952761571
Energy: 2.0323276976639173
Energy: 2.060575952761571
Energy: 2.0081044828358534
Energy: 2.146929467557255
Energy: 2.0341816643534534
Energy: 2.1469294675581834
Energy: 2.0081044828358534
Energy: 2.1469294675581834
Energy: 2.078699478261052
Energy: 2.182741780398639
Energy: 2.033472129357458
Energy: 2.1827417803977105
Energy: 2.078699478261052
Energy: 2.1827417803977105
Energy: 2.1294686701030003
Energy: 2.2066138962234976
Energy: 2.1273500906002716
Energy: 2.2066138962234976
Energy: 2.1294686701030003
Energy: 2.2066138962234976
Energy: 2.0481800875674345
Energy: 2.2886307499766305
Energy: 2.083185323256256
Energy: 2.2886307499766305
Energy: 2.0481800875683627
Energy: 2.288630749975702
Energy: 2.0458442396474648
Energy: 2.0065559293290334
Energy: 2.083295755840789
Energy: 2.006555929329962
Energy: 2.0458442396474648
Energy: 2.006555929329962
Energy: 2.129561332767607
Energy: 2.2067932764300617
Energy: 2.057142296932451
Energy: 2.2067932764300617
Energy: 2.129561332767607
Energy: 2.2067932764300617
Energy: 2.047397364859497
Energy: 2.3710035953617195
Energy: 2.033810375744478
Energy: 2.3710035953617195
Energy: 2.0473973648585684
Energy: 2.3710035953617195
Energy: 2.0070704334499814
Energy: 2.133060105425585
Energy: 2.033203743288004
Energy: 2.133060105425585
Energy: 2.0070704334499814
Energy: 2.133060105425585
Energy: 2.040816790926964
Energy: 2.0134931464686754
Energy: 2.0121044522359104
Energy: 2.013493146470532
Energy: 2.040816790926964
Energy: 2.0134931464696035
Energy: 2.045280595716978
Energy: 2.304253044613326
Energy: 1.9984767322536034
Energy: 2.304253044611469
Energy: 2.045280595716978
Energy: 2.304253044611469
Energy: 2.0527381788018086
Energy: 2.182470166730525
Energy: 1.9902835477335108
Energy: 2.182470166730525
Energy: 2.0527381788018086
Energy: 2.182470166730525
Energy: 2.0306428695306837
Energy: 2.026428332335272
Energy: 2.045336677740211
Energy: 2.026428332335272
Energy: 2.0306428695306837
Energy: 2.026428332335272
Energy: 2.088865517111608
Energy: 2.0521584193349693
Energy: 2.0446393719647613
Energy: 2.0521584193349693
Energy: 2.088865517111608
Energy: 2.0521584193358975
Energy: 2.239832965799955
Energy: 2.0762810724852767
Energy: 2.1560847771496396
Energy: 2.0762810724852767
Energy: 2.239832965799955
Energy: 2.0762810724862053
Energy: 2.112635288620293
Energy: 2.259312591809452
Energy: 2.0456973083751593
Energy: 2.2593125918085235
Energy: 2.112635288620293
Energy: 2.2593125918085235
Energy: 2.0260932457284375
Energy: 2.0333045129614353
Energy: 2.0447262972016778
Energy: 2.0333045129614353
Energy: 2.0260932457284375
Energy: 2.0333045129623644
Energy: 2.0528893127608807
Energy: 2.1824461488879088
Energy: 2.075506927948534
Energy: 2.1824461488897664
Energy: 2.0528893127618093
Energy: 2.1824461488897664
Energy: 1.9913826631433802
Energy: 2.304253044613326
Energy: 1.998110469974976
Energy: 2.3042530446123974
Energy: 1.9913826631433802
Energy: 2.3042530446123974
Energy: 2.0323276976639173
Energy: 2.0605759527624996
Energy: 2.0131163948836264
Energy: 2.060575952761571
Energy: 2.032327697662989
Energy: 2.060575952761571

minimum gb energy = 1.9902835477335108 eV
minimum distance =  2.42008714778934 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.1485964372558883
Energy: 1.9187846983677697
Energy: 2.172412043130216
Energy: 1.9187846983669683
Energy: 2.1485964372558883
Energy: 1.918784698366167
Energy: 2.006042926299559
Energy: 2.0923949568180538
Energy: 1.932161819052896
Energy: 2.092394956819657
Energy: 2.006042926299559
Energy: 2.092394956818855
Energy: 1.924041199531107
Energy: 2.134424907008736
Energy: 1.9321398366558131
Energy: 2.1344249070079337
Energy: 1.9240411995319087
Energy: 2.1344249070079337
Energy: 1.97348928680592
Energy: 2.1053278968157816
Energy: 1.9505720926315093
Energy: 2.1053278968157816
Energy: 1.97348928680592
Energy: 2.1053278968157816
Energy: 1.9188486215396487
Energy: 2.1634172727122776
Energy: 1.9233739609807747
Energy: 2.1634172727130787
Energy: 1.9188486215396487
Energy: 2.1634172727130787
Energy: 1.9525931375739227
Energy: 2.1246845327144124
Energy: 1.9206192980244614
Energy: 2.124684532713611
Energy: 1.9525931375739227
Energy: 2.124684532713611
Energy: 1.9719232202178205
Energy: 2.1828645433992766
Energy: 1.9234804184790497
Energy: 2.1828645433984755
Energy: 1.9719232202154162
Energy: 2.1828645433984755
Energy: 1.9332197302756837
Energy: 2.092049742246674
Energy: 1.9207009122253063
Energy: 2.0920497422474758
Energy: 1.9332197302756837
Energy: 2.092049742246674
Energy: 1.9187671025184891
Energy: 2.1356951089341147
Energy: 2.053278338932914
Energy: 2.1356951089341147
Energy: 1.9187671025168862
Energy: 2.1356951089341147
Energy: 1.919028327658418
Energy: 2.1376682622362457
Energy: 1.932340552986712
Energy: 2.1376682622362457
Energy: 1.919028327658418
Energy: 2.1376682622362457
Energy: 1.934165507040973
Energy: 2.1318778436844976
Energy: 1.924462234088987
Energy: 2.1318778436844976
Energy: 1.9341655070417745
Energy: 2.1318778436844976
Energy: 1.9180777179346962
Energy: 2.2193317637560415
Energy: 1.8661460919762227
Energy: 2.2193317637544387
Energy: 1.9180777179354978
Energy: 2.21933176375524
Energy: 1.9184425441405026
Energy: 1.8657041212847563
Energy: 1.932480696138434
Energy: 1.8657041212855578
Energy: 1.9184425441405026
Energy: 1.8657041212855578
Energy: 1.8990069164115846
Energy: 2.1317466493685036
Energy: 2.056620852173487
Energy: 2.1317466493685036
Energy: 1.8990069164107828
Energy: 2.1317466493685036
Energy: 1.92146991782026
Energy: 2.104422593056284
Energy: 1.9352611806906643
Energy: 2.104422593057887
Energy: 1.9214699178210612
Energy: 2.104422593057887
Energy: 1.91878271972742
Energy: 2.091557936907601
Energy: 1.9389153755215316
Energy: 2.091557936907601
Energy: 1.91878271972742
Energy: 2.091557936907601
Energy: 1.988779671835513
Energy: 2.0939379493415973
Energy: 1.937665068189177
Energy: 2.0939379493407957
Energy: 1.988779671835513
Energy: 2.0939379493407957
Energy: 1.9190093996254356
Energy: 2.2269120286558324
Energy: 1.9329727463473256
Energy: 2.2269120286558324
Energy: 1.919009399624634
Energy: 2.2269120286566335
Energy: 1.9524490723292214
Energy: 2.0936222148139176
Energy: 1.9376857503473095
Energy: 2.0936222148139176
Energy: 1.9524490723292214
Energy: 2.0936222148147188
Energy: 1.9188198307466047
Energy: 2.0915299589483776
Energy: 1.9391639086437475
Energy: 2.0915299589483776
Energy: 1.9188198307466047
Energy: 2.0915299589483776
Energy: 1.9213819549916276
Energy: 2.104525817463699
Energy: 1.934789867836181
Energy: 2.104525817463699
Energy: 1.9213819549916276
Energy: 2.104525817463699
Energy: 1.8991775071139092
Energy: 2.1317646877942313
Energy: 2.056672223260717
Energy: 2.1317646877934298
Energy: 1.8991775071139092
Energy: 2.1317646877934298
Energy: 1.9183034621862214
Energy: 1.8653147603540925
Energy: 1.9324642010237523
Energy: 1.8653147603548939
Energy: 1.9183034621862214
Energy: 1.8653147603548939
Energy: 1.9202776249151199
Energy: 2.217327778388855
Energy: 1.8669409640838317
Energy: 2.217327778388855
Energy: 1.9202776249143185
Energy: 2.217327778388855
Energy: 1.9339130074417443
Energy: 2.131928455746571
Energy: 2.0191276990428597
Energy: 2.131928455746571
Energy: 1.933913007442546
Energy: 2.131928455747373
Energy: 1.9191537377046513
Energy: 2.1381765954639014
Energy: 1.9323636650925027
Energy: 2.1381765954639014
Energy: 1.9191537377038497
Energy: 2.1381765954639014
Energy: 1.918887029195889
Energy: 2.1363030987227494
Energy: 2.0146526387121853
Energy: 2.136303098724353
Energy: 1.9188870291950875
Energy: 2.136303098724353
Energy: 1.9336186696707682
Energy: 2.092055257219768
Energy: 1.9205570013694464
Energy: 2.092055257219768
Energy: 1.9336186696707682
Energy: 2.092055257219768
Energy: 1.9715373681912254
Energy: 2.1828645433984755
Energy: 1.9236924651771847
Energy: 2.182864543397674
Energy: 1.9715373681904238
Energy: 2.182864543397674

minimum gb energy = 1.8653147603540925 eV
minimum distance =  2.44394655849075 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.0223785802277336
Energy: 2.1875986534317833
Energy: 2.096850313226772
Energy: 2.1875986534317833
Energy: 2.0223785802277336
Energy: 2.1875986534317833
Energy: 1.8403754165098303
Energy: 2.038293773167471
Energy: 1.897888744849934
Energy: 2.038293773167471
Energy: 1.8403754165098303
Energy: 2.038293773167471
Energy: 1.8328105659674137
Energy: 2.0929749069564356
Energy: 1.8946965919697167
Energy: 2.0929749069564356
Energy: 1.8328105659674137
Energy: 2.0929749069564356
Energy: 1.839262732464921
Energy: 2.0645052579025323
Energy: 1.8837721574503732
Energy: 2.0645052579011236
Energy: 1.8392627324642163
Energy: 2.1164263261898224
Energy: 1.8399442939365238
Energy: 2.1334811543364416
Energy: 1.8392180978566723
Energy: 2.1334811543364416
Energy: 1.8399442939365238
Energy: 2.1334811543371455
Energy: 1.8361050215275947
Energy: 2.0427791024723536
Energy: 1.848053645060297
Energy: 2.0427791024723536
Energy: 1.8361050215275947
Energy: 2.0427791024723536
Energy: 1.8386246654044738
Energy: 2.094595286982895
Energy: 1.8236064730262436
Energy: 2.0945952869835995
Energy: 1.8386246654044738
Energy: 2.0945952869835995
Energy: 1.8468710861192144
Energy: 2.0878366086281046
Energy: 1.8444288328067426
Energy: 2.096079229650661
Energy: 1.8468710861192144
Energy: 2.065188782351638
Energy: 1.8399752273030991
Energy: 2.04204200458132
Energy: 1.833248129857158
Energy: 2.04204200458132
Energy: 1.8399752273030991
Energy: 2.04204200458132
Energy: 1.8424377426661382
Energy: 2.0989793676359927
Energy: 1.8250638819248821
Energy: 2.0989793676359927
Energy: 1.8424377426661382
Energy: 2.0989793676359927
Energy: 1.9150686067228768
Energy: 2.0374802431143246
Energy: 1.9163228111378958
Energy: 2.0374802431136203
Energy: 1.915068606722172
Energy: 2.0374802431136203
Energy: 1.8977424462461594
Energy: 2.0943454671419017
Energy: 1.8397339374105801
Energy: 2.0943454671419017
Energy: 1.8977424462454549
Energy: 2.0943454671419017
Energy: 1.8949357915067593
Energy: 2.1096660788582544
Energy: 1.8690925577327908
Energy: 2.1096660788575496
Energy: 1.8949357915067593
Energy: 2.109666078856845
Energy: 1.883807136623093
Energy: 1.9685076893505673
Energy: 1.8382821271586764
Energy: 1.857354403074003
Energy: 1.883807136623093
Energy: 1.9685076893562035
Energy: 1.8336283867399734
Energy: 1.807600801352974
Energy: 1.838390413540097
Energy: 1.8076008013515652
Energy: 1.8336283867399734
Energy: 1.8076008013522697
Energy: 1.8943764079306162
Energy: 2.121914628897839
Energy: 1.836857278182197
Energy: 2.121914628897839
Energy: 1.8943764079306162
Energy: 2.121914628897839
Energy: 1.8234645848448412
Energy: 2.116507814904587
Energy: 1.840354688078422
Energy: 2.116507814904587
Energy: 1.8234645848441364
Energy: 2.116507814904587
Energy: 1.8437068790612812
Energy: 2.0418363788717255
Energy: 1.842383755778672
Energy: 2.04183637887243
Energy: 1.8437068790605766
Energy: 2.0418363788717255
Energy: 1.870222137625085
Energy: 2.0436724737001546
Energy: 1.833999269978683
Energy: 2.0436724737001546
Energy: 1.870222137625085
Energy: 2.0436724737001546
Energy: 1.8259363919785563
Energy: 2.178730544870371
Energy: 1.8421381503267238
Energy: 2.178730544870371
Energy: 1.8259363919785563
Energy: 2.178730544870371
Energy: 1.8751843120036356
Energy: 1.875954692619763
Energy: 1.8447338748277737
Energy: 1.875954692621172
Energy: 1.8751843120036356
Energy: 1.8759546926225816
Energy: 1.8244975939593187
Energy: 2.0442687840649914
Energy: 1.8419210144046678
Energy: 2.0442687840649914
Energy: 1.8244975939586143
Energy: 2.0442687840649914
Energy: 1.8389319558405715
Energy: 2.030121738039124
Energy: 1.8403197991129079
Energy: 2.030121738039124
Energy: 1.8389319558398673
Energy: 2.030121738039124
Energy: 1.8391567865171219
Energy: 2.100715980188587
Energy: 1.9200263376782973
Energy: 2.074324046961227
Energy: 1.8391567865171219
Energy: 2.096842320440265
Energy: 1.840068956728355
Energy: 2.0605085123513995
Energy: 1.8441864952626292
Energy: 2.060508512352104
Energy: 1.8400689567290596
Energy: 2.060508512350695
Energy: 1.869674697011741
Energy: 2.12126020299995
Energy: 1.8942510404527046
Energy: 2.12126020299995
Energy: 1.869674697011741
Energy: 2.12126020299995
Energy: 1.8379322345563687
Energy: 1.8080354001356185
Energy: 1.8066410051046649
Energy: 1.808035400134914
Energy: 1.8379322345563687
Energy: 1.8080354001356185
Energy: 1.8377731385379639
Energy: 1.8081245113396036
Energy: 1.809249316274289
Energy: 1.808124511340308
Energy: 1.8377731385379639
Energy: 1.8081245113396036
Energy: 1.9728968905739954
Energy: 2.142773054202466
Energy: 1.9715053818306727
Energy: 2.142773054202466
Energy: 1.9728968905739954
Energy: 2.142773054202466
Energy: 1.8423729381624967
Energy: 2.023618057065823
Energy: 1.8089021755405947
Energy: 2.023618057065823
Energy: 1.8423729381624967
Energy: 2.023618057065823
Energy: 1.8394045195719513
Energy: 2.098459827295234
Energy: 1.8387965996152502
Energy: 2.0984598272959385
Energy: 1.8394045195712463
Energy: 2.0984598272959385
Energy: 1.8697543952272004
Energy: 2.0317598635972933
Energy: 1.8473105252830544
Energy: 2.0317598635979977
Energy: 1.8697543952272004
Energy: 2.0317598635972933
Energy: 1.8401177205201493
Energy: 2.178836473405775
Energy: 1.8443397083932633
Energy: 2.178836473403661
Energy: 1.8401177205194452
Energy: 2.178836473405775

minimum gb energy = 1.8066410051046649 eV
minimum distance =  2.44543879247452 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.019687820686117182
Energy: 0.020002178065293946
Energy: 12.029154590534775
Energy: 0.020002178065293946
Energy: 0.019687820686117182
Energy: 0.020002178065879332
Energy: 0.019949627130215156
Energy: 1.0330392140492626
Energy: 0.019949627130800545
Energy: 1.0330392140498477
Energy: 0.019949627130215156
Energy: 1.0330392140498477
Energy: 31.23612496995579
Energy: 0.020002178065293946
Energy: 0.019687820686117182
Energy: 0.020002178065879332
Energy: 31.26288014024714
Energy: 0.020002178065879332
Energy: 0.019949627130215156
Energy: 1.0330392140492626
Energy: 0.019949627130800545
Energy: 1.0330392140492626
Energy: 0.019949627130800545
Energy: 1.0330392140498477

minimum gb energy = 0.019687820686117182 eV
minimum distance =  2.69846477639748 Angstroms
sigma value = 1