Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860341995954514
cohesive_energy=4.301279955559085
mass=55.845
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: 0.013282088966752453
Energy: 0.014083598666486336
Energy: 0.11617183060130722
Energy: 0.014083598666987255
Energy: 0.013282088967253372
Energy: 0.014083598666486336
Energy: 0.014083598666486336
Energy: 2.060035336334347
Energy: 0.014083598667488175
Energy: 2.060035336337269
Energy: 0.014083598666987255
Energy: 2.060035336335321
Energy: 0.11617183060130722
Energy: 0.014083598667488175
Energy: 0.013282088966752453
Energy: 0.014083598667488175
Energy: 0.1161718306008063
Energy: 0.014083598668462188
Energy: 0.014083598666987255
Energy: 2.060035336337269
Energy: 0.014083598667488175
Energy: 2.1573141376099683
Energy: 0.014083598666486336
Energy: 2.0600353363362953
Energy: 0.013282088967253372
Energy: 0.014083598666987255
Energy: 0.11617183060130722
Energy: 0.014083598666987255
Energy: 0.013282088967253372
Energy: 0.014083598666987255
Energy: 0.014083598666987255
Energy: 2.060035336335794
Energy: 0.014083598668462188
Energy: 2.0600353363362953
Energy: 0.014083598666486336
Energy: 2.1573141187830416

minimum gb energy = 0.013282088966752453 eV
minimum distance =  2.25776347945161 Angstroms
sigma value = 1


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

Energy: 0.6605666501731703
Energy: -1.0115690452974302
Energy: 0.743330249230801
Energy: -1.0115690452962243
Energy: 0.6605666501731703
Energy: -1.011569045292607
Energy: -4.36806232096898
Energy: -1.2271754573221878
Energy: -2.4725513146476006
Energy: -1.2271754573233935
Energy: -2.456234044681838
Energy: -1.2271754573233935
Energy: 0.7071140946982396
Energy: -1.352573761830895
Energy: 0.6801353699013543
Energy: -1.3525738911989336
Energy: 0.7071438582268695
Energy: -1.3525738440342772
Energy: 0.6942144157581528
Energy: -1.7980631979450405
Energy: -4.256348170223384
Energy: -1.7980631979486579
Energy: 0.6942144157641815
Energy: -1.7980631979450405
Energy: 0.6930946178188939
Energy: -0.7869328775447354
Energy: 0.6994936198313091
Energy: -0.7869328779485057
Energy: 0.6930946178164823
Energy: -0.7869328779292133
Energy: -2.4323805270725694
Energy: -1.3722229491329647
Energy: 0.7174105378171654
Energy: -1.3722229491341704
Energy: -2.456732728515068
Energy: -1.3722229491341704
Energy: 0.674837315328958
Energy: -1.4048993446180176
Energy: 0.7152935537277741
Energy: -1.404899344615606
Energy: 0.6748373153253406
Energy: -1.4048993446131943
Energy: 0.7201301693014444
Energy: -1.0160739346420424
Energy: -2.080953319507608
Energy: -1.0160739346516887
Energy: 0.7201301693002385
Energy: -1.016073934656512
Energy: -4.308976348180152
Energy: -1.8007590339173358
Energy: -1.7100995912111876
Energy: -1.8007590339076895
Energy: -4.610907757802771
Energy: -1.80075903391613
Energy: 0.6755755334403861
Energy: -1.428430087971322
Energy: 0.7166396797147344
Energy: -1.428430087982174
Energy: 0.6755755334403861
Energy: -1.4284300879918204
Energy: -1.097169707058039
Energy: -1.7207245324883127
Energy: -2.07228051337141
Energy: -1.7207245324774607
Energy: -1.0973562186923067
Energy: -1.7207245324774607
Energy: 0.6856255680435467
Energy: -0.9467528451814237
Energy: 0.6855472130021549
Energy: -0.9467528451995102
Energy: 0.6856256780903562
Energy: -0.9467528451983045
Energy: -2.2560725499962757
Energy: -1.7207245325003704
Energy: -0.6882679401423906
Energy: -1.7207245324895184
Energy: -1.958644207558594
Energy: -1.7207245324991645
Energy: 0.7166357561642545
Energy: -1.426064194424002
Energy: 0.675569232849948
Energy: -1.4260641944264134
Energy: 0.7166166508195349
Energy: -1.426064194428825
Energy: -2.2276164381396364
Energy: -1.800795805158934
Energy: -4.369524448186761
Energy: -1.8007958051553166
Energy: -2.194555800940427
Energy: -1.800795805158934
Energy: -2.04182565362813
Energy: -1.0164965396085128
Energy: 0.7201722023723465
Energy: -1.0164965396048953
Energy: -2.248169800129805
Energy: -1.0164965395843972
Energy: 0.7152868183001216
Energy: -1.4052621283801152
Energy: 0.6749125969380529
Energy: -1.4052621283825266
Energy: 0.7153255227582064
Energy: -1.4052621283825266
Energy: 0.7173818483414435
Energy: -1.3735246192533015
Energy: -4.368680083656656
Energy: -1.3735246192545074
Energy: 0.7173984975294974
Energy: -1.3735246192545074
Energy: 0.6995297462853821
Energy: -0.7531831936672527
Energy: 0.6930549025865348
Energy: -0.7531831936672527
Energy: 0.699529746286588
Energy: -0.7531831936913135
Energy: -2.948340819230101
Energy: -1.7980330637895652
Energy: 0.6936382287252598
Energy: -1.7980330637883595
Energy: -4.5614774977970045
Energy: -1.798033063790771
Energy: 0.6751097273159883
Energy: -1.351817980553632
Energy: 0.7071569297862743
Energy: -1.3517741439306836
Energy: 0.6751097273171941
Energy: -1.3517747718690376
Energy: -2.142904124964054
Energy: -1.2276187469300726
Energy: -4.368195734029253
Energy: -1.2276187469300726
Energy: -2.4058277114714057
Energy: -1.2276187469288669
Energy: 0.7433252706075175
Energy: -1.011569045281755
Energy: 0.6605666501719646
Energy: -1.0115690453058706
Energy: 0.743344019524324
Energy: -1.011569045292607

minimum gb energy = -4.610907757802771 eV
minimum distance =  2.39999669134185 Angstroms
sigma value = 33


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

Energy: -1.3451070704032766
Energy: -0.4088385416663074
Energy: -0.5841115311259949
Energy: -0.4088385416649357
Energy: -1.3451070792343778
Energy: -0.40883854166699324
Energy: -1.0221614790653142
Energy: -1.5138384203534363
Energy: -1.5090738075046874
Energy: -1.5138384203534363
Energy: -1.0221614790673716
Energy: -1.5138384203548079
Energy: -0.8938029803331407
Energy: -0.4486051027989114
Energy: -0.4765030804637919
Energy: -0.4486051028002831
Energy: -0.8938029799218234
Energy: -0.44860510276053556
Energy: -1.494724999721367
Energy: -0.8833026155445665
Energy: -1.4527416911738635
Energy: -0.8833026155452522
Energy: -1.494724999721367
Energy: -0.8833026155452522
Energy: -1.1639976140240162
Energy: -1.2618491583626654
Energy: -3.538862443595547
Energy: -1.2618491583654088
Energy: -1.163997614024702
Energy: -1.261849158360608
Energy: -1.314719294598771
Energy: -1.1620083434654598
Energy: -1.218958898346887
Energy: -1.1620083434661457
Energy: -1.3147192945973993
Energy: -1.1620083434702606
Energy: -1.3152476377569073
Energy: -0.772586410421279
Energy: -0.9695831673250239
Energy: -0.772586410421279
Energy: -1.3152476377610223
Energy: -0.7725864104219649
Energy: -0.8628144274511371
Energy: -1.8058562257905655
Energy: -1.3154500143754764
Energy: -1.8058562257946806
Energy: -0.8628144375998313
Energy: -1.8058562257898798
Energy: -1.5057100207238767
Energy: -0.8962999206093696
Energy: -1.3126205653920269
Energy: -0.8962999206100555
Energy: -1.5057100207259342
Energy: -0.8962999206100555
Energy: -0.6384747976633453
Energy: -0.5167577817084703
Energy: -1.4887387163252714
Energy: -0.5167577817070986
Energy: -0.6384747976667744
Energy: -0.5167577817070986
Energy: -1.0508753208714137
Energy: -2.0245788778266256
Energy: -1.5106664457842447
Energy: -2.0245788778273117
Energy: -1.0508753208590687
Energy: -2.0245788778273117
Energy: -0.4333928793623437
Energy: -1.5365968080216572
Energy: -3.001907931861846
Energy: -1.5365964696774028
Energy: -0.43339287936371534
Energy: -1.5365957032480917
Energy: -1.082835758432607
Energy: -0.8826592729271617
Energy: -1.0432293518506688
Energy: -0.8826592729278475
Energy: -1.0828357584524961
Energy: -0.8826592729278475
Energy: -1.3207903519359
Energy: -0.5255433275724106
Energy: -1.129545315508349
Energy: -0.5255433275888708
Energy: -1.3207903518413167
Energy: -0.5255433275730965
Energy: -0.7945445021676868
Energy: -1.674351335218796
Energy: -0.8788661943758174
Energy: -1.6743513352160526
Energy: -0.7945445021690585
Energy: -1.67435133521811
Energy: -0.6998072596762422
Energy: -1.4138439844990263
Energy: -3.510280495874865
Energy: -1.4138439844832518
Energy: -0.6998072596762422
Energy: -1.4138439845243709
Energy: -0.9060560548051502
Energy: -1.741381175695473
Energy: -0.7389278209842429
Energy: -1.741381181488955
Energy: -0.9060560547790881
Energy: -1.741381172709978
Energy: -0.9302347259151472
Energy: -1.9035953562594305
Energy: -0.9836264564315756
Energy: -1.9035953562834036
Energy: -0.9302347259151472
Energy: -1.9035953562333685
Energy: -0.6274077234954415
Energy: -1.6713095247320007
Energy: -1.3156197791327966
Energy: -1.6713095247080274
Energy: -0.6274077234748974
Energy: -1.6713095247100849
Energy: -1.5051722057204031
Energy: -0.8862836332869025
Energy: -1.2956541046984584
Energy: -0.8862836332862166
Energy: -1.5051722057217751
Energy: -0.8862836332862166
Energy: -0.15269310004306255
Energy: -0.5219244252508078
Energy: -3.586818279677809
Energy: -0.5219244252487503
Energy: -0.15269310004237668
Energy: -0.5219244252357192
Energy: -1.318004818781783
Energy: -1.176720375904972
Energy: -1.5084075909136905
Energy: -1.1767203759173173
Energy: -1.3180048187804112
Energy: -1.176720375922118
Energy: -0.740507354368023
Energy: -1.1653271849846096
Energy: -3.338013009513794
Energy: -1.1653271849812115
Energy: -0.7401458398731727
Energy: -1.1653271849880389
Energy: -1.5320542760825968
Energy: -1.7817779869990822
Energy: -1.5067573589135272
Energy: -1.781777987042259
Energy: -1.5320542760825968
Energy: -1.7817779870066264
Energy: -0.7180429506316207
Energy: -1.583687543009953
Energy: -0.46908811245375115
Energy: -1.5836875430078958
Energy: -0.718042950639165
Energy: -1.5836875430120108
Energy: -1.1092877725124415
Energy: -0.4455966035963345
Energy: -1.0504170842425453
Energy: -0.4455966035963345
Energy: -1.1092877725124415
Energy: -0.4455966035963345
Energy: -1.1070392548229728
Energy: -0.44481870538041995
Energy: -1.109734237438636
Energy: -0.44481870538179163
Energy: -1.1070392548229728
Energy: -0.44481870538316326
Energy: -0.7160648838738232
Energy: -1.5811272361862005
Energy: -0.4711117540345273
Energy: -1.5811272361875723
Energy: -0.7160648838710799
Energy: -1.5811272361910016
Energy: -1.4468072696005185
Energy: -1.7808363852922682
Energy: -1.5076196191162954
Energy: -1.7808363852538924
Energy: -1.4468072696005185
Energy: -1.7808363852956974
Energy: -2.4045317114073197
Energy: -1.1667566478780682
Energy: -0.6243868826507694
Energy: -1.1667566478794402
Energy: -2.406816781824473
Energy: -1.1667566478794402
Energy: -1.3143339668730643
Energy: -1.1767203758912863
Energy: -1.5077413059713567
Energy: -1.176720375888543
Energy: -1.314333966870321
Energy: -1.176720375931034
Energy: -0.1820842379888684
Energy: -0.5220411892618472
Energy: -0.7209293554128704
Energy: -0.522041189262533
Energy: -0.1820842380245321
Energy: -0.5220411892680198
Energy: -1.5058772417941702
Energy: -0.9267239351532801
Energy: -1.295415523044435
Energy: -0.9267239351094175
Energy: -1.5058772417962278
Energy: -0.9267239351512225
Energy: -0.6276324359180295
Energy: -1.6716669471133703
Energy: -0.9254101016991758
Energy: -1.6716669471442331
Energy: -0.6276324359111711
Energy: -1.6716669471119985
Energy: -0.9245914740123652
Energy: -1.905378033467119
Energy: -1.2417353608636739
Energy: -1.9053780334691766
Energy: -0.9245914740096217
Energy: -1.9053780334684907
Energy: -0.9083022083302847
Energy: -1.7349673645864665
Energy: -0.722948888169318
Energy: -1.7349673650299873
Energy: -0.9083022083110812
Energy: -1.7349673641696626
Energy: -0.6997309136179057
Energy: -1.4138223639339895
Energy: -0.9170672527704898
Energy: -1.4138223639353613
Energy: -0.6997309136192774
Energy: -1.4138223639490781
Energy: -0.7942217292972729
Energy: -1.6744131581642552
Energy: -0.8822282472679774
Energy: -1.6744131581656267
Energy: -0.7942217292945295
Energy: -1.6744131581601402
Energy: -1.3221448452472118
Energy: -0.5260583749027142
Energy: -1.1280204350799121
Energy: -0.5260583748999711
Energy: -1.3221448437177874
Energy: -0.5260583748513075
Energy: -1.0894550550511508
Energy: -0.8828723252842737
Energy: -1.0422809098815289
Energy: -0.8828723252835878
Energy: -1.0894550550449784
Energy: -0.8828723252842737
Energy: -0.42204211299900773
Energy: -1.5353768378695012
Energy: -1.1404714010516064
Energy: -1.535376967298026
Energy: -0.4220421130003794
Energy: -1.5353768466951159

minimum gb energy = -3.586818279677809 eV
minimum distance =  2.38218161501573 Angstroms
sigma value = 51


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

Energy: -0.47205348922233875
Energy: 0.1350623291441478
Energy: -1.360860582585873
Energy: 0.13506232914096966
Energy: -0.47205348922233875
Energy: 0.13506232914096966
Energy: -1.5051968692580493
Energy: -0.9675268009018123
Energy: -1.4142915929678868
Energy: -0.9675268009018123
Energy: -1.5051968692564603
Energy: -0.9675268009049905
Energy: -2.991997466326487
Energy: 0.030952293868899312
Energy: -1.4402382881925035
Energy: 0.030952293937193745
Energy: -2.9817135471358895
Energy: 0.030952294019789918
Energy: -1.5145069480194657
Energy: -0.31151165843606665
Energy: -1.428472329062126
Energy: -0.31151165843606665
Energy: -1.5145069480194657
Energy: -0.31151165843606665
Energy: -1.511979323101603
Energy: -0.31845857821618984
Energy: -1.8804437051667324
Energy: -0.31845857821777895
Energy: -1.5108935688032545
Energy: -0.31845857821618984
Energy: -0.52288095836451
Energy: -0.3237284367850638
Energy: -1.4174592724744755
Energy: -0.32372843677235114
Energy: -0.52288095836451
Energy: -0.323728436770762
Energy: -0.5229262015485698
Energy: -0.31794417861269086
Energy: -1.0445165695993164
Energy: -0.31794417861110186
Energy: -0.5229262014183012
Energy: -0.31794417860951274
Energy: -1.5073146837109679
Energy: -0.32461021941554813
Energy: -1.0821545880013925
Energy: -0.32461021941872625
Energy: -1.5073146837268225
Energy: -0.32461021941872625
Energy: -0.5130630191760838
Energy: -1.253883069759087
Energy: -0.6466910480253305
Energy: -1.2538830697654433
Energy: -0.5130630191189129
Energy: -1.253883069762265
Energy: -1.2220621382979149
Energy: 0.12931961139016468
Energy: -1.0817330141927606
Energy: 0.1293196113885756
Energy: -1.1972728417130412
Energy: 0.1293196113885756
Energy: -0.5294882801659074
Energy: -0.966586625090469
Energy: -1.3950090030134823
Energy: -0.9665866250952362
Energy: -0.5294882787347581
Energy: -0.9665866250920581
Energy: -0.4966534745857555
Energy: 0.1283149431415202
Energy: -1.4154053647639304
Energy: 0.12831494314310926
Energy: -0.4966534749002493
Energy: 0.12831494314310926
Energy: -1.002645500050694
Energy: -0.9673043046173525
Energy: -1.4182743214121174
Energy: -0.9673043046189416
Energy: -1.0026455000601926
Energy: -0.9673043046205306
Energy: -1.5375405061964613
Energy: 0.03000578084792717
Energy: -1.4291069541860035
Energy: 0.030005780849516252
Energy: -1.5057693173423867
Energy: 0.030005780849516252
Energy: -1.5068899600062051
Energy: 0.028989452045829648
Energy: -1.4118534561136826
Energy: 0.028989452044240565
Energy: -1.5068899600093832
Energy: 0.028989452045829648
Energy: -2.546414512508785
Energy: -1.00396806885326
Energy: -1.4010456733326653
Energy: -1.0039680688500818
Energy: -1.216299340742635
Energy: -1.0039680688548491
Energy: -0.5040121157738244
Energy: 0.12847311823796065
Energy: -1.441219591793634
Energy: 0.12847311823637156
Energy: -0.5040121157690933
Energy: 0.12847311823637156
Energy: -0.5063465662610036
Energy: -0.31015979047308656
Energy: -1.43846486615484
Energy: -0.3101597904746757
Energy: -0.5063465662594145
Energy: -0.31015979047308656

minimum gb energy = -2.991997466326487 eV
minimum distance =  2.35449610535927 Angstroms
sigma value = 19


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

Energy: -0.26995579990160246
Energy: -0.01629214018626142
Energy: 0.8790000456776436
Energy: -0.016292140184376226
Energy: -0.2699558347754244
Energy: -0.016292140191917003
Energy: -0.36562331987368457
Energy: -0.4480797667388528
Energy: -0.18791719908264956
Energy: -0.44807976674262323
Energy: -0.36417183211285065
Energy: -0.4480797667397954
Energy: 0.8383572114825629
Energy: -0.09164107837080115
Energy: 0.10534397979972673
Energy: -0.09164107837080115
Energy: 0.8383572114853907
Energy: -0.09164107836703077
Energy: 0.09095626042801236
Energy: -0.4458524494901809
Energy: -0.18399565677013416
Energy: -0.4458524494920447
Energy: 0.0904760553530089
Energy: -0.44585244949298725
Energy: -2.5553744209500064
Energy: -0.10321012278490348
Energy: -0.18218641376089276
Energy: -0.10321012278678866
Energy: -2.628771610963181
Energy: -0.10321012278490348
Energy: -0.18079487530165836
Energy: -0.10318228870397081
Energy: -2.6814096028895245
Energy: -0.10318228870302823
Energy: -0.18079487529883062
Energy: -0.10318228870302823
Energy: -0.18360335314027168
Energy: -0.4460955509472947
Energy: 0.09094302800273175
Energy: -0.446095550935041
Energy: -0.18360335334567227
Energy: -0.4460955509472947
Energy: 0.10140944422944646
Energy: -0.10042810853807649
Energy: 0.8383678065862249
Energy: -0.1004281085399617
Energy: 0.1014094443123522
Energy: -0.10042810854467468
Energy: -0.1877589073407334
Energy: -0.4483694028737027
Energy: -2.389937375654274
Energy: -0.4483694028783942
Energy: -0.1877589780475132
Energy: -0.4483694028765305
Energy: 0.8789994335023749
Energy: -0.01629214020134298
Energy: -0.26995580044616685
Energy: -0.016292140183433626
Energy: 0.8790002520148892
Energy: -0.016292140184376226
Energy: -0.18791744015142767
Energy: -0.4480797667445084
Energy: -2.3563953150706167
Energy: -0.44807976674262323
Energy: -0.1879175218647492
Energy: -0.4480797667445084
Energy: 0.10534397979314998
Energy: -0.09164107836891597
Energy: 0.8383572114806777
Energy: -0.09164107837457154
Energy: 0.10534397979409257
Energy: -0.09164107836985856
Energy: -0.18399565636312473
Energy: -0.4458524495005281
Energy: 0.09069161013529892
Energy: -0.4458524494920447
Energy: -0.183995656332019
Energy: -0.4458524495005281
Energy: -0.18218641375806496
Energy: -0.10321012278490348
Energy: -2.681221692261783
Energy: -0.10321012278396087
Energy: -0.18218641376089276
Energy: -0.10321012278678866
Energy: -2.681873596783214
Energy: -0.10318228870397081
Energy: -0.18079487529883062
Energy: -0.1031822886860829
Energy: -2.5551661917107857
Energy: -0.10318228870397081
Energy: 0.09133247179560479
Energy: -0.446095550939754
Energy: -0.1836033540824409
Energy: -0.446095550939754
Energy: 0.09139303503624469
Energy: -0.446095550939754
Energy: 0.8383678065871677
Energy: -0.10042810854844508
Energy: 0.10140944420022595
Energy: -0.10042810854750248
Energy: 0.8383678065843398
Energy: -0.10042810855127286
Energy: -2.3612144989139536
Energy: -0.4483694028746452
Energy: -0.1877590721646062
Energy: -0.4483694028765305
Energy: -2.3563947464052717
Energy: -0.4483694028774516
Energy: -0.2699559428038023
Energy: -0.01629214018626142
Energy: 0.8789999055699459
Energy: -0.016292140198515187
Energy: -0.2699558014279252
Energy: -0.01629214020511337
Energy: -2.356395315387201
Energy: -0.4480797667463936
Energy: -0.18791770805161293
Energy: -0.4480797667397954
Energy: -2.356395315077215
Energy: -0.448079766740738
Energy: 0.8383572114835055
Energy: -0.09164107836703077
Energy: 0.10534397979409257
Energy: -0.09164107837080115
Energy: 0.8383572114806777
Energy: -0.09164107837457154
Energy: 0.09118233316926395
Energy: -0.4458524494920447
Energy: -0.18399565705278492
Energy: -0.4458524494920447
Energy: 0.0754524851345842
Energy: -0.4458524494911021
Energy: -2.6815514488804952
Energy: -0.10321012278490348
Energy: -0.18218641376089276
Energy: -0.10321012278490348
Energy: -2.6817074398829934
Energy: -0.10321012278490348
Energy: -0.18079487529694538
Energy: -0.1031822886860829
Energy: -2.4125394682256016
Energy: -0.10318228870397081
Energy: -0.1807948752997732
Energy: -0.10318228870302823
Energy: -0.1836033531035318
Energy: -0.4460955509444669
Energy: -0.5438777635353578
Energy: -0.44609555093409836
Energy: -0.18360335409846507
Energy: -0.4460955509472947
Energy: 0.10140944403629962
Energy: -0.1004281085399617
Energy: 0.8383678065843398
Energy: -0.10042810853807649
Energy: 0.10140944439431536
Energy: -0.10042810855033028
Energy: -0.18775904465204368
Energy: -0.4483694028774516
Energy: -2.3588450216261934
Energy: -0.4483694028746452
Energy: -0.18775902377052733
Energy: -0.44836940288027943
Energy: 0.8789994341873435
Energy: -0.01629214019662999
Energy: -0.26995594300543246
Energy: -0.016292140200400384
Energy: 0.8790001125130034
Energy: -0.016292140188146613
Energy: -0.18791702522230705
Energy: -0.44807976674545097
Energy: -2.3563953155765773
Energy: -0.44807976674262323
Energy: -0.187916938783979
Energy: -0.448079766740738
Energy: 0.10534397979503517
Energy: -0.09164107837362895
Energy: 0.8383572114816202
Energy: -0.09164107837362895
Energy: 0.10534397979503517
Energy: -0.09164107837457154

minimum gb energy = -2.681873596783214 eV
minimum distance =  2.3832584610513 Angstroms
sigma value = 27


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

Energy: 0.7678511716935704
Energy: -1.8654560209850537
Energy: 0.8566980703547878
Energy: -1.8654560209846076
Energy: 0.7678543971636737
Energy: -1.8654560210240685
Energy: 0.763066629870503
Energy: -1.3497363055599423
Energy: 0.7804796530384553
Energy: -1.3497363055610967
Energy: 0.7630661753982747
Energy: -1.34973630555438
Energy: 0.8027318657874705
Energy: -0.5746291665464401
Energy: 0.7806519848813018
Energy: -0.574629166511807
Energy: 0.8027330923315044
Energy: -0.5746291665323507
Energy: 0.7414879067162625
Energy: -1.9109884455452788
Energy: 0.7799723204884543
Energy: -1.9109884077635515
Energy: 0.7414879069036493
Energy: -1.9109884807452027
Energy: 0.7815666335694312
Energy: -1.907091744407183
Energy: 0.7807005567556234
Energy: -1.9070917443033357
Energy: 0.7815666335707955
Energy: -1.9070917445615896
Energy: 0.7799753184346594
Energy: -0.5763032169089967
Energy: 0.7803775045955132
Energy: -0.5763032168956157
Energy: 0.7796969008750618
Energy: -0.57630321690737
Energy: 0.7798065166638707
Energy: -1.334152230123837
Energy: 0.780579192987875
Energy: -1.3341522301256739
Energy: 0.7798080524473299
Energy: -1.3341522301243094
Energy: 0.7417387531355405
Energy: -1.9048849522749718
Energy: 0.7798720626294081
Energy: -1.9048849523442122
Energy: 0.7413827224420126
Energy: -1.90488495231766
Energy: 0.7803356604490485
Energy: -1.8982500235656303
Energy: -1.1214702223272346
Energy: -1.898250023530997
Energy: 0.7803356604326501
Energy: -1.898250022720028
Energy: 0.779736607370819
Energy: -0.5695330562716121
Energy: 0.779877361138716
Energy: -0.5695330562305245
Energy: 0.7796812430417461
Energy: -0.5695330563064553
Energy: 0.7806681944053442
Energy: -1.9021529765345702
Energy: 0.7803951705789398
Energy: -1.9021529678295552
Energy: 0.780670600188118
Energy: -1.902152978414552
Energy: 0.7801092923816998
Energy: -1.9023943375855576
Energy: 0.7422638146589267
Energy: -1.902394337307232
Energy: 0.7801092923812538
Energy: -1.9023943361212272

minimum gb energy = -1.9109884807452027 eV
minimum distance =  2.4065206190299 Angstroms
sigma value = 9


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

Energy: -1.2796306084958233
Energy: -1.019686052941358
Energy: -1.4747064052264935
Energy: -1.0196860529420066
Energy: -1.2796306084971207
Energy: -1.0196860529420066
Energy: -2.190274058049232
Energy: -1.9823739070638715
Energy: -1.785201204560349
Energy: -1.9823739070651691
Energy: -2.1902740580485833
Energy: -1.9823739070638715
Energy: -1.6863290972981717
Energy: -1.0198622255894412
Energy: -2.1848255111318684
Energy: -1.0198622255861975
Energy: -1.6863290973014156
Energy: -1.0198622255836023
Energy: -1.9149567599002797
Energy: -1.2829321717640767
Energy: -2.1082021770590558
Energy: -1.2829321717595652
Energy: -1.9149567598989823
Energy: -1.2829321717556725
Energy: -1.411815779435465
Energy: -1.2994647918960662
Energy: -2.9931701813792713
Energy: -1.2994647918928226
Energy: -1.4118157794341675
Energy: -1.2994647918973636
Energy: -2.128194928416079
Energy: -1.0855962979030382
Energy: -1.7936728883972122
Energy: -1.0855962979030382
Energy: -2.1281949284154305
Energy: -1.0855962979036868
Energy: -1.5315759872929773
Energy: -1.2395635264449707
Energy: -1.8216520787952528
Energy: -1.2395635264527554
Energy: -1.5315759872923287
Energy: -1.239563526454053
Energy: -2.0570091880364947
Energy: -1.2452950033905743
Energy: -1.6891211534144588
Energy: -1.245295003401603
Energy: -2.057009188038441
Energy: -1.2452950033912231
Energy: -1.6029397660343405
Energy: -1.9381667222034014
Energy: -4.313458457304069
Energy: -1.9381667222040497
Energy: -1.6029397660349893
Energy: -1.9381667222040497
Energy: -1.8751070995854953
Energy: -1.0273247667216459
Energy: -2.1700608846596214
Energy: -1.0273247667164558
Energy: -1.8751070995945778
Energy: -1.0273247667171046
Energy: -4.362081610135024
Energy: -1.5156233337345382
Energy: -2.1868765992848727
Energy: -1.5156233337384306
Energy: -4.362081532871952
Energy: -1.5156233337338896
Energy: -2.1853745094483163
Energy: -1.2710534735344476
Energy: -1.8164896563987551
Energy: -1.2710534735279604
Energy: -2.185374509449614
Energy: -1.2710534735318528
Energy: -1.7291266771449199
Energy: -1.0970910772947224
Energy: -1.2270585954289657
Energy: -1.0970910772953713
Energy: -1.729126677146866
Energy: -1.0970910772953713
Energy: -1.9613554420831376
Energy: -1.0525292868248517
Energy: -1.3699624404596582
Energy: -1.052529286821608
Energy: -1.9613554420831376
Energy: -1.0525292868267981
Energy: -1.9269208939300235
Energy: -1.1688531061813554
Energy: -1.8870136503286412
Energy: -1.1688531061813554
Energy: -1.9269208939189952
Energy: -1.168853106182004
Energy: -1.621708242794171
Energy: -1.4499860358049308
Energy: -1.8200541402177697
Energy: -1.4499860358049308
Energy: -1.6217082427948197
Energy: -1.4499860358049308
Energy: -1.4338935794635235
Energy: -1.0260899145346423
Energy: -2.3174802832313817
Energy: -1.0260899145346423
Energy: -1.433893579464172
Energy: -1.0260899145339937
Energy: -2.303579466032959
Energy: -1.4939155378335616
Energy: -1.6562995745709082
Energy: -1.4939155378964597
Energy: -2.30357946603231
Energy: -1.493915537895811
Energy: -1.8041207719918968
Energy: -1.053361544621141
Energy: -1.9062582766377378
Energy: -1.0533615446230875
Energy: -1.8041207719905992
Energy: -1.0533615446224387
Energy: -2.122245344901589
Energy: -1.6945409649263095
Energy: -1.9146121940621654
Energy: -1.6945409649140126
Energy: -2.1222453449028866
Energy: -1.6945409649140126
Energy: -1.9089730706593526
Energy: -1.0536169391642374
Energy: -1.7975999863759358
Energy: -1.0536169391590477
Energy: -1.9089730706561088
Energy: -1.0536169391577501
Energy: -1.6559376032244353
Energy: -1.4339112650989683
Energy: -2.302512938026217
Energy: -1.4339112650989683
Energy: -1.6559376032237865
Energy: -1.4339112650989683
Energy: -1.935247105634332
Energy: -1.0261468321870635
Energy: -1.6334627855757158
Energy: -1.0261468321877123
Energy: -1.9352471056330347
Energy: -1.0261468321877123
Energy: -1.833030278011879
Energy: -1.449972263564879
Energy: -1.554982499250302
Energy: -1.4499722635642303
Energy: -1.8330302780008503
Energy: -1.449972263564879
Energy: -1.8862791830400278
Energy: -1.1686901416536617
Energy: -1.9289740575139114
Energy: -1.1686901416530129
Energy: -1.8862791830406767
Energy: -1.1686901416536617
Energy: -1.3807003560421787
Energy: -1.0263195273247945
Energy: -1.9613833973395294
Energy: -1.0263195273286871
Energy: -1.3807003561770574
Energy: -1.0263195273280383
Energy: -1.2271681573690114
Energy: -1.0969885914257933
Energy: -1.7291637476905146
Energy: -1.0969885914257933
Energy: -1.2271681564974877
Energy: -1.0969885914257933
Energy: -1.817012121299173
Energy: -1.2527820838543173
Energy: -2.1841977188041515
Energy: -1.2527820838543173
Energy: -1.8170121212622241
Energy: -1.2527820838543173
Energy: -1.6777529705863685
Energy: -1.5158789600084948
Energy: -2.187332486017266
Energy: -1.515878960002007
Energy: -1.6777529706032357
Energy: -1.5158789600084948
Energy: -2.1813967378037384
Energy: -1.0558902007694466
Energy: -1.759914161165726
Energy: -1.0558902007642565
Energy: -2.181396737801143
Energy: -1.0558902007376878
Energy: -1.776967443964494
Energy: -1.9381667222040497
Energy: -1.6018811581863155
Energy: -1.9381667222021037
Energy: -1.7769674439664405
Energy: -1.9381667222027525
Energy: -1.6790239321976286
Energy: -1.2451259633444176
Energy: -2.05747255841361
Energy: -1.2451259633418224
Energy: -1.6790239321878975
Energy: -1.245125963345715
Energy: -1.8221045210105702
Energy: -1.2394944464180617
Energy: -1.5297335124173987
Energy: -1.2394944464193591
Energy: -1.8221045210105702
Energy: -1.239494446420657
Energy: -1.7936301033439617
Energy: -1.047914629243604
Energy: -2.132072962701289
Energy: -1.0479146292442527
Energy: -1.7936301033446105
Energy: -1.047914629243604
Energy: -2.3031258898718807
Energy: -1.2722095829774684
Energy: -1.411744669187111
Energy: -1.2722095829820095
Energy: -2.3031258168587647
Energy: -1.2722095829813607
Energy: -2.0155261048936355
Energy: -1.2824769863372834
Energy: -2.2641189629745626
Energy: -1.2824769863366348
Energy: -2.016089671119776
Energy: -1.2824769863379322
Energy: -2.1844109893060772
Energy: -1.0199766631092384
Energy: -1.6861412200660337
Energy: -1.0199766631111846
Energy: -2.184410989306726
Energy: -1.0199766631105358
Energy: -1.784096552247249
Energy: -1.760287784117297
Energy: -2.1903915438098687
Energy: -1.7602877841140534
Energy: -1.784096552249844
Energy: -1.7602877841185947
Energy: -2.3966951921122677
Energy: -1.019686052941358
Energy: -1.2796306084964721
Energy: -1.0196860529420066
Energy: -2.3966951920954003
Energy: -1.019686052941358
Energy: -1.7852012045564565
Energy: -1.98237390706452
Energy: -2.1902740580479345
Energy: -1.9823739070658177
Energy: -1.7852012045597
Energy: -1.9823739070664663
Energy: -2.1848255111318684
Energy: -1.019862225587495
Energy: -1.6863290973014156
Energy: -1.0198622255849
Energy: -2.1848255111325168
Energy: -1.019862225587495
Energy: -2.108202180348641
Energy: -1.282932171760184
Energy: -1.9149567598983335
Energy: -1.282932171760184
Energy: -2.1082021797494703
Energy: -1.282932171760184
Energy: -1.6116177009780224
Energy: -1.2994647918973636
Energy: -1.4118157794335189
Energy: -1.2994647918986613
Energy: -1.611617700976076
Energy: -1.2994647918960662

minimum gb energy = -4.362081610135024 eV
minimum distance =  2.37912235563091 Angstroms
sigma value = 57


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

Energy: 0.4236971513506953
Energy: -0.32797794143779596
Energy: 0.40026869025647027
Energy: -0.32797794143779596
Energy: 0.42367178346174994
Energy: -0.32797794143779596
Energy: 0.2933545327657414
Energy: -1.4134224332142398
Energy: -3.749032372208672
Energy: -1.4134224332171934
Energy: 0.2933545331185209
Energy: -1.4134224332201468
Energy: 0.16894860138179185
Energy: -0.7244119485107883
Energy: 0.3181336048952794
Energy: -0.7244119485152186
Energy: 0.16894860139947948
Energy: -0.7244119485152186
Energy: -0.012138571686550085
Energy: -0.7375592772372269
Energy: 0.3162428379185413
Energy: -0.7375592772387036
Energy: -0.01213763754290693
Energy: -0.7375592772372269
Energy: 0.012179721957062654
Energy: -0.2925416110017005
Energy: -3.293497472108432
Energy: -0.2925416110002238
Energy: 0.012179721686915026
Energy: -0.2925416110002238
Energy: 0.36404376367431845
Energy: -0.6793292633663622
Energy: 0.3375607214053253
Energy: -0.679329263367839
Energy: 0.36404376368022556
Energy: -0.679329263367839
Energy: 0.36526479147393254
Energy: -0.6796455021086711
Energy: 0.3374681896522393
Energy: -0.6796455021116247
Energy: 0.3652647914783629
Energy: -0.6796455021086711
Energy: 0.012556215962023928
Energy: -0.2918329180496058
Energy: 0.3130670547856699
Energy: -0.2918329180496058
Energy: 0.012556215616628322
Energy: -0.2918329180496058
Energy: -0.001534664716264425
Energy: -0.7371586821344803
Energy: -3.1427421052029834
Energy: -0.737158682137434
Energy: -0.001534642961342158
Energy: -0.737158682137434
Energy: 0.16985454226775823
Energy: -0.7249529795766385
Energy: 0.31376509541297787
Energy: -0.7249529795751617
Energy: 0.169854542316458
Energy: -0.7249529795722082
Energy: 0.3040131179276576
Energy: -1.41342243321867
Energy: 0.3151580739647076
Energy: -1.4134224332201468
Energy: 0.30401311695195116
Energy: -1.4134224332201468
Energy: 0.4237183395837922
Energy: -0.3279779414407496
Energy: -3.2211281049539555
Energy: -0.32797794143779596
Energy: 0.42369900802539273
Energy: -0.32797794143927284
Energy: 0.2933545335938384
Energy: -1.41342243321867
Energy: 0.28338015208969697
Energy: -1.41342243321867
Energy: 0.2933545329103975
Energy: -1.41342243321867
Energy: 0.16894860139800272
Energy: -0.7244119485152186
Energy: 0.31813360489675613
Energy: -0.7244119485166953
Energy: 0.16894860139504916
Energy: -0.7244119485166953
Energy: -0.012138565965152937
Energy: -0.7375592772387036
Energy: 0.31624283791558777
Energy: -0.7375592772372269
Energy: -0.012137315732978313
Energy: -0.7375592772387036
Energy: 0.01217972141827773
Energy: -0.2925416110002238
Energy: 0.2830797954349098
Energy: -0.2925416110002238
Energy: 0.012179721531921645
Energy: -0.2925416110002238
Energy: 0.3640437636698881
Energy: -0.679329263367839
Energy: 0.3375607214097556
Energy: -0.6793292633648854
Energy: 0.3640437636625379
Energy: -0.679329263367839
Energy: 0.365264791470979
Energy: -0.6796455021101478
Energy: 0.3374681896522393
Energy: -0.6796455021071944
Energy: 0.36526479147393254
Energy: -0.6796455021101478
Energy: 0.012556215271199154
Energy: -0.2918329180510825
Energy: 0.3130670547856699
Energy: -0.2918329180496058
Energy: 0.012556215446867273
Energy: -0.29183291805255934

minimum gb energy = -3.749032372208672 eV
minimum distance =  2.35770003084574 Angstroms
sigma value = 11


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

Energy: -1.186571616915251
Energy: -2.074833577182868
Energy: -1.2317146460844153
Energy: -2.074833577181786
Energy: -1.1865716170557816
Energy: -2.0748335771807045
Energy: -1.3534796192808798
Energy: -2.581020288364403
Energy: -1.3912613158371605
Energy: -2.581020288364403
Energy: -1.3534796192873704
Energy: -2.5810202883654845
Energy: -0.9465482844583717
Energy: -2.123132143801202
Energy: -1.062513402541648
Energy: -2.123132143801202
Energy: -0.9465482844086598
Energy: -2.123132143805529
Energy: -1.4092790225479634
Energy: -3.0976208823303897
Energy: -1.3893492380759982
Energy: -3.0976208823260625
Energy: -1.4092790225425547
Energy: -3.0976208823260625
Energy: -1.0105630734396054
Energy: -1.8964697215743096
Energy: -4.71450509213178
Energy: -1.896469721573228
Energy: -1.0105630734482594
Energy: -1.8964697215743096
Energy: -1.0198001182953587
Energy: -2.2665737877342984
Energy: -1.413900577507266
Energy: -2.2665737877342984
Energy: -1.019800118302931
Energy: -2.2665737877234804
Energy: -1.336905338953023
Energy: -2.1159141113348507
Energy: -1.3886466515032247
Energy: -2.1159141113683364
Energy: -1.336905338948696
Energy: -2.115914111366222
Energy: -1.358226078197083
Energy: -1.9540929447568671
Energy: -1.7919718527908657
Energy: -1.9540929447568671
Energy: -1.3582260781938378
Energy: -1.9540929447547035
Energy: -1.3593052169950057
Energy: -1.8307992759689224
Energy: -5.056772211890696
Energy: -1.830799275970004
Energy: -1.3593052169928423
Energy: -1.830799275970004
Energy: -1.0279409623409907
Energy: -2.1060923186169913
Energy: -1.4164492819591272
Energy: -2.106092318527254
Energy: -1.0279409623182736
Energy: -2.106092318571557
Energy: -1.3982530051310464
Energy: -2.3953402126566945
Energy: -1.3881828722380622
Energy: -2.395340212665349
Energy: -1.3982530069778585
Energy: -2.3953402126621035
Energy: -1.4119271013927326
Energy: -2.133339345697314
Energy: -1.3902102970364916
Energy: -2.1333393456951506
Energy: -1.4119271013894874
Energy: -2.1333393456962324
Energy: -1.0467452904782617
Energy: -3.097378670382289
Energy: -5.008255659243967
Energy: -3.097378670383371
Energy: -1.0467452908415857
Energy: -3.0973786703812074
Energy: -1.3866629176137129
Energy: -2.0821591160702106
Energy: -1.0594871929552687
Energy: -2.0821591160723747
Energy: -1.3866629176061407
Energy: -2.0821591160712924
Energy: -1.353735231912917
Energy: -2.5807416722722096
Energy: -1.3906179694517153
Energy: -2.580741672271127
Energy: -1.3537352319183258
Energy: -2.580741672271127
Energy: -1.8161063742545287
Energy: -1.8926907540070421
Energy: -1.3402585879753586
Energy: -1.8926907540102873
Energy: -1.8161063742480381
Energy: -1.8926907540102873
Energy: -1.3452906879213617
Energy: -2.582429253213276
Energy: -1.1533425306004998
Energy: -2.5824292532057034
Energy: -1.3452906879159527
Energy: -2.582429253214358
Energy: -1.3899953948138632
Energy: -2.16009514619728
Energy: -1.0583731139365093
Energy: -2.1600951154791526
Energy: -1.3899953948138632
Energy: -2.160095130624642
Energy: -1.4123904511398737
Energy: -3.1123407732242634
Energy: -1.3876839653023547
Energy: -3.1123407732242634
Energy: -1.4123904511420373
Energy: -3.112340773223182
Energy: -1.3846929376343753
Energy: -1.9468763264002522
Energy: -1.0676864848722043
Energy: -1.946876326397007
Energy: -1.3846929376354569
Energy: -1.9468763264013338
Energy: -1.2619164931573679
Energy: -2.4745427560342788
Energy: -1.414203530466835
Energy: -2.474542756032115
Energy: -1.2619164931767903
Energy: -2.4745427560310334
Energy: -1.0312113851509137
Energy: -1.8745744453497664
Energy: -1.388492836605702
Energy: -1.8745744453443574
Energy: -1.0312113851509137
Energy: -1.8745744453476025
Energy: -1.3605908003826757
Energy: -2.0445164862365552
Energy: -1.7915119216545679
Energy: -2.044516486237637
Energy: -1.360590800376185
Energy: -2.044516486237637
Energy: -1.389316110825617
Energy: -1.8290321137800445
Energy: -1.3544328985211362
Energy: -1.8290321137811263
Energy: -1.389316110825617
Energy: -1.8290321137822079
Energy: -1.0097437031430336
Energy: -2.1076355240660622
Energy: -1.414023756685703
Energy: -2.1076355240660622
Energy: -1.0097437031387069
Energy: -2.1076355240660622
Energy: -1.0315902645711459
Energy: -2.382218427194735
Energy: -1.3906258893453372
Energy: -2.38221842719798
Energy: -1.0315902645754729
Energy: -2.382218427194735

minimum gb energy = -5.056772211890696 eV
minimum distance =  2.39248857240013 Angstroms
sigma value = 41


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

Energy: -1.0136606108351716
Energy: -0.5312678242276432
Energy: -1.1392411760371588
Energy: -0.5312678242276432
Energy: -1.0136606108351716
Energy: -0.5312678242276432
Energy: -0.87594634223048
Energy: -1.710823094066074
Energy: -1.0671716018960633
Energy: -1.710823094061811
Energy: -0.87594634223048
Energy: -1.7108230940626634
Energy: -1.361315395910278
Energy: -0.43288756932083233
Energy: -0.998780121834699
Energy: -0.43288756932083233
Energy: -1.3613153959000466
Energy: -0.43288756932083233
Energy: -1.077845124126818
Energy: -1.2642341763941234
Energy: -1.0673373990517465
Energy: -1.2642341763779237
Energy: -1.0778451239733868
Energy: -1.2642341763668397
Energy: -1.582235762898723
Energy: -1.1167242321219362
Energy: -3.585290204252257
Energy: -1.1167242321210837
Energy: -1.582235762898723
Energy: -1.1167242321210837
Energy: -0.9968574727130454
Energy: -1.1984050994558535
Energy: -1.0671625643019218
Energy: -1.1984050994575588
Energy: -0.9968574727130454
Energy: -1.1984050994601165
Energy: -1.4087589188020795
Energy: -0.441811075722484
Energy: -1.065143799999117
Energy: -0.441811075722484
Energy: -1.4087589188003742
Energy: -0.44181107572163136
Energy: -1.134735330228078
Energy: -0.6836758130258135
Energy: -0.8509180570204161
Energy: -0.6836758130266661
Energy: -1.1347353302289305
Energy: -0.6836758130266661
Energy: -0.9636791477394653
Energy: -0.7977871055821708
Energy: -2.771730134756549
Energy: -0.7977871055830232
Energy: -0.9636791477386126
Energy: -0.7977871055821708
Energy: -1.2420353944911806
Energy: -0.6712845736428222
Energy: -1.2115252455013965
Energy: -0.6712845736428222
Energy: -1.242035394497149
Energy: -0.6712845736428222
Energy: -1.2353707248452441
Energy: -0.6368293332696686
Energy: -0.9805353118486622
Energy: -0.6368293332696686
Energy: -1.2353707248469494
Energy: -0.6368293332705213
Energy: -0.9974279331063574
Energy: -0.9435579082966451
Energy: -0.7693406702246962
Energy: -0.9435579082983503
Energy: -0.9974279331063574
Energy: -0.9435579083000556
Energy: -1.364412928903605
Energy: -0.952626522618119
Energy: -2.766886972663539
Energy: -0.9526265226172664
Energy: -1.364412928954723
Energy: -0.9526265226164138
Energy: -1.0661736001089837
Energy: -0.612409041187832
Energy: -1.067419818432931
Energy: -0.612409041187832
Energy: -1.0661736001064257
Energy: -0.6124090411861267
Energy: -0.9961714246697351
Energy: -1.192595345885322
Energy: -1.0648844217579825
Energy: -1.192595345885322
Energy: -0.9961714246714404
Energy: -1.1925953458844691
Energy: -1.0634031253161598
Energy: -0.544632124288744
Energy: -1.0666413911983024
Energy: -0.544632124288744
Energy: -1.0634031253161598
Energy: -0.544632124288744
Energy: -1.2968701764951063
Energy: -1.7272810067023536
Energy: -2.902144221442095
Energy: -1.7272810064918747
Energy: -1.2968701764959587
Energy: -1.727281006460328
Energy: -1.3645620155027023
Energy: -0.9135033624760525
Energy: -0.9992677163107196
Energy: -0.9135033624760525
Energy: -1.3645620154993303
Energy: -0.9135033624777578
Energy: -0.8688918020893596
Energy: -1.6122151934208822
Energy: -1.0655854024616551
Energy: -1.6122151933773992
Energy: -0.8688918020885068
Energy: -1.6122151934072406
Energy: -1.0274400132755797
Energy: -0.5016721253581953
Energy: -1.035737297866822
Energy: -0.5016721253462587
Energy: -1.0274400132252755
Energy: -0.5016721253701317
Energy: -1.022466090963598
Energy: -1.7081927569213353
Energy: -1.0391372050253818
Energy: -1.7081927569213353
Energy: -1.022466090972124
Energy: -1.7081927569230406
Energy: -1.366443071642318
Energy: -0.5615571212652197
Energy: -0.9983096891958837
Energy: -0.5615571212643671
Energy: -1.3664430716440235
Energy: -0.5615571212635144
Energy: -0.989407501613285
Energy: -1.1101411710948625
Energy: -1.066567195684562
Energy: -1.1101411712184523
Energy: -0.9894075016209585
Energy: -1.1101411711639242
Energy: -1.0640969404265637
Energy: -0.6516099956135657
Energy: -0.9983448800312509
Energy: -0.6516099956135657
Energy: -1.0640969404248588
Energy: -0.6516099956135657
Energy: -0.9984582244135645
Energy: -1.3463775835584126
Energy: -1.0667793669959105
Energy: -1.346377583559265
Energy: -0.9984582244127118
Energy: -1.3463775835601175
Energy: -1.0632393194637368
Energy: -0.9301314180938551
Energy: -1.06760036869198
Energy: -0.9301314180947079
Energy: -1.063239319466295
Energy: -0.9301314180938551
Energy: -1.1390467120919503
Energy: -0.6999425208592567
Energy: -1.358977995617857
Energy: -0.6999425208549935
Energy: -1.1390467120936556
Energy: -0.6999425208635196
Energy: -0.9985998026995323
Energy: -1.2980436763737813
Energy: -1.0086670386127528
Energy: -1.2980436763729288
Energy: -0.9985998026986798
Energy: -1.2980436763746341
Energy: -1.210619070470817
Energy: -0.405225945999513
Energy: -1.0270531567881123
Energy: -0.40522594599866046
Energy: -1.2106190704699644
Energy: -0.405225945999513
Energy: -1.066803778112391
Energy: -0.7894658851026038
Energy: -0.980396688030018
Energy: -0.7894658851017513
Energy: -1.06680377811491
Energy: -0.7894658851017513
Energy: -0.9974330819180809
Energy: -0.572661920091916
Energy: -0.8847304433161699
Energy: -0.5726619200927686
Energy: -0.9974330819189334
Energy: -0.5726619200927686
Energy: -0.9980738414373804
Energy: -0.9327433045599318
Energy: -1.0183363542288257
Energy: -0.932743304561637
Energy: -0.9980738414373804
Energy: -0.9327433045607845
Energy: -1.0650113963975218
Energy: -0.7093868432353746
Energy: -1.0668069847955428
Energy: -0.7093868432353746
Energy: -1.0650113963983743
Energy: -0.7093868432353746

minimum gb energy = -3.585290204252257 eV
minimum distance =  2.36671207444418 Angstroms
sigma value = 33


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

Energy: -1.790959017633843
Energy: -2.476795885907157
Energy: -2.5573171289727332
Energy: -2.476795885907157
Energy: -1.7909590176368348
Energy: -2.4767958859466495
Energy: -2.584025300708996
Energy: -2.3050474634026834
Energy: -2.6345824180877906
Energy: -2.3050474634032816
Energy: -2.5840253007048077
Energy: -2.3050474634032816
Energy: -1.8478648539786742
Energy: -2.3330669381065747
Energy: -2.7752970939711616
Energy: -2.3330669381071734
Energy: -1.8478648539762808
Energy: -2.3330669381071734
Energy: -2.6713491981158346
Energy: -2.730312788844496
Energy: -2.634049947125973
Energy: -2.730312788847488
Energy: -2.6713491981577207
Energy: -2.7303127888450947
Energy: -2.219562278162626
Energy: -2.4822159286582663
Energy: -3.492806941554301
Energy: -2.4822159286594627
Energy: -2.2195622781620274
Energy: -2.4822159286588645
Energy: -2.455202398075838
Energy: -2.892222285068308
Energy: -2.6339437254716014
Energy: -2.8922222850730948
Energy: -2.4552023980764366
Energy: -2.892222285076087
Energy: -2.4614054484747396
Energy: -2.7860710102549358
Energy: -2.779305018982524
Energy: -2.786071010254337
Energy: -2.4614054484747396
Energy: -2.786071010254337
Energy: -2.4605293640383255
Energy: -2.8854404343945084
Energy: -2.833602212735961
Energy: -2.885440434393311
Energy: -2.46052936361903
Energy: -2.885440434393311
Energy: -2.611759505057826
Energy: -2.458414133907635
Energy: -4.729418115932106
Energy: -2.458414133910627
Energy: -2.6117595050440636
Energy: -2.4584141340858947
Energy: -2.7692683494172865
Energy: -2.882478993480409
Energy: -2.632321454380173
Energy: -2.8824789934798107
Energy: -2.7692683495327173
Energy: -2.882478993481007
Energy: -2.7831523849148505
Energy: -2.1518365130499064
Energy: -2.5329577737904447
Energy: -2.1518365141139197
Energy: -2.783152384914252
Energy: -2.151836512830413
Energy: -2.4133497139691884
Energy: -2.3706816851284276
Energy: -2.6266273372606594
Energy: -2.370681685127829
Energy: -2.4133497135044717
Energy: -2.3706816851284276
Energy: -2.948935316807478
Energy: -2.0913358390445076
Energy: -3.116695291339811
Energy: -2.09133583904391
Energy: -2.9489353167991004
Energy: -2.0913358390409176
Energy: -2.8569473545381765
Energy: -2.646619452678514
Energy: -2.802662521379313
Energy: -2.6466194526779154
Energy: -2.8569472985638478
Energy: -2.6466194526791122
Energy: -3.027369873788275
Energy: -2.9047748338440154
Energy: -2.7894283579132972
Energy: -2.904774831062785
Energy: -3.027369873746988
Energy: -2.904774832561651
Energy: -2.5994802703816013
Energy: -2.582949396836835
Energy: -2.5287077448792843
Energy: -2.582949396836835
Energy: -2.5994802703594613
Energy: -2.582949396836237
Energy: -2.9543189029766195
Energy: -2.3919588618077023
Energy: -3.440536359359238
Energy: -2.3919588618077023
Energy: -2.9543187847484345
Energy: -2.391958861808301
Energy: -2.6451045596309566
Energy: -1.898375660037634
Energy: -2.634453596487737
Energy: -1.8983756600418227
Energy: -2.6451045596566867
Energy: -1.8983756600323032
Energy: -2.4095284562632133
Energy: -1.8890701639397383
Energy: -2.8559957754867376
Energy: -1.8890701639385414
Energy: -2.4095284562225237
Energy: -1.8890701639385414
Energy: -2.8315864160218815
Energy: -2.5757766601569303
Energy: -2.8334684926660287
Energy: -2.5757766601593235
Energy: -2.8315864159315813
Energy: -2.5757766601593235
Energy: -2.9528734777817287
Energy: -2.7371665496575583
Energy: -4.5941074229249335
Energy: -2.737166549653968
Energy: -2.952873958379461
Energy: -2.737166549659952
Energy: -2.481098337796686
Energy: -2.317650632561477
Energy: -2.790100861996093
Energy: -2.3176506325608783
Energy: -2.481098337725534
Energy: -2.3176506325602797
Energy: -2.7687718631386646
Energy: -2.6719835348628527
Energy: -2.634102002271337
Energy: -2.6719835348628527
Energy: -2.76877186315123
Energy: -2.6719835348622545
Energy: -2.313692257691778
Energy: -2.6495574629823304
Energy: -2.783799799642856
Energy: -2.6495574629841254
Energy: -2.3136922576881878
Energy: -2.649557462981134
Energy: -2.7160800361852115
Energy: -2.7451791154724168
Energy: -4.731777156150175
Energy: -2.745179115464638
Energy: -2.7160800361828183
Energy: -2.745179115468228
Energy: -2.433631248525206
Energy: -2.651311222033644
Energy: -2.7783534430717736
Energy: -2.6513112220354387
Energy: -2.4336312481681412
Energy: -2.6513112220354387
Energy: -2.6013860596253657
Energy: -2.207213329388987
Energy: -2.6305615563398184
Energy: -2.2072133293895857
Energy: -2.6013860595865257
Energy: -2.207213329388987
Energy: -2.2477366502793585
Energy: -2.6484206286290504
Energy: -2.7703240407315777
Energy: -2.648420628629649
Energy: -2.2477366497763462
Energy: -2.648420628631444
Energy: -2.7691892294801965
Energy: -2.6351237220385086
Energy: -2.500636361019601
Energy: -2.6351237220367136
Energy: -2.769189231617198
Energy: -2.635123722033123
Energy: -2.4345981437801516
Energy: -2.878172518212123
Energy: -2.5555634626475583
Energy: -2.87817251820973
Energy: -2.434598143766987
Energy: -2.878172518210927
Energy: -2.996485933267754
Energy: -2.7446538344284606
Energy: -2.6347090501982713
Energy: -2.7446538344284606
Energy: -2.996485915434055
Energy: -2.7446538344284606
Energy: -2.2549258501843314
Energy: -2.887921983472249
Energy: -2.7690886249066584
Energy: -2.887921983472249
Energy: -2.254925850171765
Energy: -2.887921983471052
Energy: -2.9670319051494505
Energy: -2.8956078247785224
Energy: -2.8331335070916817
Energy: -2.8956078247922306
Energy: -2.9670319051506473
Energy: -2.895607824782657
Energy: -2.4787103297529507
Energy: -2.8196146653141447
Energy: -2.765402095191218
Energy: -2.8196146653153416
Energy: -2.478710329760131
Energy: -2.8196146653153416
Energy: -2.7645236097025814
Energy: -2.8195222679319434
Energy: -2.4786226753297145
Energy: -2.8195222679307475
Energy: -2.76452360970318
Energy: -2.8195222679307475
Energy: -2.8336327781648665
Energy: -2.8948988825898914
Energy: -2.966918268059567
Energy: -2.8948988825916864
Energy: -2.8336327781648665
Energy: -2.894898882592285
Energy: -2.7690074801397913
Energy: -2.887575018468648
Energy: -2.2547419484677422
Energy: -2.887575018467451
Energy: -2.7690074801397913
Energy: -2.8875750184692466
Energy: -2.631137819553703
Energy: -2.7343085704914385
Energy: -2.9908333654386863
Energy: -2.734308570492037
Energy: -2.6311378195578916
Energy: -2.734308570492037
Energy: -2.555563462590115
Energy: -2.878450958650353
Energy: -2.4413664016975614
Energy: -2.878450958649755
Energy: -2.5555634625237498
Energy: -2.878450958649157
Energy: -2.616595166498282
Energy: -2.6346021268105546
Energy: -2.755765799203315
Energy: -2.634602126811153
Energy: -2.616595169668889
Energy: -2.634602126804027
Energy: -2.7774624581254335
Energy: -2.638654863303372
Energy: -2.254490066270397
Energy: -2.638654863312946
Energy: -2.777462457920246
Energy: -2.6386548633081595
Energy: -2.6403737869813306
Energy: -2.201217247312006
Energy: -2.6014037271266197
Energy: -2.2012172473114076
Energy: -2.6403737869843233
Energy: -2.2012172473114076
Energy: -2.7782051941522132
Energy: -2.6512292466634824
Energy: -2.433666165650295
Energy: -2.65122924666408
Energy: -2.7782051941546064
Energy: -2.6512292466646787
Energy: -2.781715861257529
Energy: -2.257721927722135
Energy: -2.7159356418090677
Energy: -2.257721927722135
Energy: -2.7817158612647095
Energy: -2.2577219277215366
Energy: -2.7837973247409926
Energy: -2.6493731424332134
Energy: -2.3135999184059486
Energy: -2.6493731424326152
Energy: -2.783797324738599
Energy: -2.6493731424320166
Energy: -2.6300497804134135
Energy: -2.6719835348634513
Energy: -2.7782644130038876
Energy: -2.6719835348652468
Energy: -2.630049780415209
Energy: -2.6719835348586645
Energy: -2.983272420308146
Energy: -2.3176389919095084
Energy: -2.4828656444747272
Energy: -2.3176389919107057
Energy: -2.9832724203069487
Energy: -2.317638991910107

minimum gb energy = -4.731777156150175 eV
minimum distance =  2.34304887903256 Angstroms
sigma value = 67


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

Energy: -2.721403546363563
Energy: -3.494114940442548
Energy: -3.54400042932879
Energy: -3.494114940446956
Energy: -2.7214035463619726
Energy: -3.4941149404473646
Energy: -3.5364908137311883
Energy: -3.867191145149932
Energy: -2.50905705608133
Energy: -3.867191145148751
Energy: -3.536490813726372
Energy: -3.867191145133163
Energy: -2.7214035463603365
Energy: -3.4941149404445473
Energy: -3.5440004293300174
Energy: -3.494114940440548
Energy: -2.7214035463587463
Energy: -3.494114940440548
Energy: -3.5364908137231903
Energy: -3.867191145138753
Energy: -2.5090570561964407
Energy: -3.8671911451451604
Energy: -3.536490813727962
Energy: -3.867191145130755
Energy: -2.7214035463603365
Energy: -3.494114940448546
Energy: -3.5440004293300174
Energy: -3.4941149404421843
Energy: -2.721403546359973
Energy: -3.4941149404429566
Energy: -3.5364908137200093
Energy: -3.8671911451359353
Energy: -2.5090570560289556
Energy: -3.8671911451459327
Energy: -3.5364908137223723
Energy: -3.867191145143161
Energy: -2.721403546359155
Energy: -3.494114940446956
Energy: -3.544000429330789
Energy: -3.494114940443366
Energy: -2.7214035463587463
Energy: -3.4941149404449563

minimum gb energy = -3.867191145149932 eV
minimum distance =  2.39765653794248 Angstroms
sigma value = 3


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

Energy: -2.3558565072518776
Energy: -2.6421152820917615
Energy: -3.0080579263994918
Energy: -2.6421152820917615
Energy: -2.355856507238816
Energy: -2.642115282091218
Energy: -2.4435393758735158
Energy: -3.2374235947088144
Energy: -3.130099149923545
Energy: -3.237423594737658
Energy: -2.443539375754383
Energy: -3.2374235947186105
Energy: -2.5548918221700205
Energy: -3.8469954604886403
Energy: -3.8774013347715313
Energy: -3.8469958620617155
Energy: -2.554891822165123
Energy: -3.846996163378329
Energy: -2.585686369843346
Energy: -4.397138998022176
Energy: -5.094400615373664
Energy: -4.397139078289493
Energy: -2.5856863443013403
Energy: -5.44189488216853
Energy: -2.523436288283264
Energy: -5.226392227320998
Energy: -2.8030472152272163
Energy: -5.224456553069029
Energy: -2.52343628828653
Energy: -5.225639612307621
Energy: -3.527197486484524
Energy: -4.489521477838553
Energy: -4.22107315897787
Energy: -4.48952147781243
Energy: -3.5271974857567185
Energy: -4.489521477830933
Energy: -2.5490770261304574
Energy: -3.1147810929502358
Energy: -4.190263807201357
Energy: -3.1147810929464264
Energy: -2.5490770259607634
Energy: -3.11478109295078
Energy: -3.822508711276533
Energy: -4.424657878480081
Energy: -4.046450994997382
Energy: -4.42465787946416
Energy: -3.8225104716660234
Energy: -3.3267315269480475
Energy: -3.83430998772917
Energy: -3.0921877889267675
Energy: -2.7218143370275603
Energy: -3.092187788925679
Energy: -3.834309987010022
Energy: -3.092187788925679
Energy: -2.7332568377558237
Energy: -4.192752276632449
Energy: -2.794840111770578
Energy: -4.192752276633537
Energy: -2.7332568377590887
Energy: -4.1927522766340815
Energy: -3.8770758192335943
Energy: -4.969756855836084
Energy: -2.7654602570363047
Energy: -4.969756855848601
Energy: -3.877075821395836
Energy: -4.96975685583173
Energy: -3.305656947078146
Energy: -4.126460784590218
Energy: -2.8605739265329966
Energy: -4.126460798494561
Energy: -3.3056569470672614
Energy: -3.804249570279294
Energy: -5.006885699773134
Energy: -4.1240670556264964
Energy: -3.9391825961460603
Energy: -4.124067059327118
Energy: -5.006885792150242
Energy: -4.124067055409999
Energy: -2.806081947037481
Energy: -3.937181813909471
Energy: -2.847805142017436
Energy: -3.9371818139051173
Energy: -2.8060819470418346
Energy: -3.937181813905661
Energy: -5.069312272740953
Energy: -3.713281250873254
Energy: -2.714225620105821
Energy: -3.7132812508727095
Energy: -5.069309890462339
Energy: -3.713281250874342
Energy: -5.0024814233875174
Energy: -3.9114972019011773
Energy: -2.8244968543177285
Energy: -3.9114972018968244
Energy: -5.00248211721573
Energy: -3.733188773487459
Energy: -4.007113086616494
Energy: -2.9422180493978707
Energy: -2.5727689117092116
Energy: -2.9422180493995036
Energy: -3.9347067971940497
Energy: -2.9422180493995036
Energy: -5.094828913157845
Energy: -3.047947179857963
Energy: -2.7826186757388545
Energy: -3.0479471798590514
Energy: -5.0948289541213
Energy: -3.047947179857419
Energy: -4.219351484762081
Energy: -3.157177019485755
Energy: -2.7350080913868093
Energy: -3.1571770194803133
Energy: -4.219351522142958
Energy: -3.1571770194819457
Energy: -3.9457406705291738
Energy: -4.116403492841458
Energy: -2.859780859017693
Energy: -3.9154606418435356
Energy: -3.9457406705357045
Energy: -4.116403492846306
Energy: -2.9088023805883414
Energy: -4.645888472228959
Energy: -3.4161617813027623
Energy: -4.646338311044189
Energy: -2.908802380556777
Energy: -4.6461324635348555
Energy: -5.24652882501517
Energy: -4.207791131244147
Energy: -2.8004039380809598
Energy: -4.207791131250133
Energy: -5.2462088601486006
Energy: -4.2077911312430585
Energy: -2.684013463673032
Energy: -3.254811349776768
Energy: -2.613975075237134
Energy: -3.254811349777312
Energy: -2.684013463675753
Energy: -3.254811349781122
Energy: -2.682409876051231
Energy: -3.5152581772793727
Energy: -2.7810812858531815
Energy: -3.5152581772755633
Energy: -2.6824098760463326
Energy: -3.054270222336158
Energy: -2.7779965408775493
Energy: -4.251308459648542
Energy: -2.7340346110508174
Energy: -4.251308459645821
Energy: -2.7779965408737404
Energy: -4.25130845965344
Energy: -2.877441305238898
Energy: -4.397577285488374
Energy: -2.920329469023639
Energy: -4.397577286503966
Energy: -2.87744130518611
Energy: -4.397577277001929
Energy: -2.731734097314429
Energy: -3.943451233633649
Energy: -3.2048823756454756
Energy: -3.9434512335068974
Energy: -2.7317340973340203
Energy: -3.943451234803154
Energy: -2.777563801373499
Energy: -3.133432398729999
Energy: -4.354128624347896
Energy: -3.1334323987310873
Energy: -2.7775638013555897
Energy: -3.133432398727278
Energy: -2.781170670560762
Energy: -3.686189490864554
Energy: -3.881273418755264
Energy: -3.6864528862717547
Energy: -2.781170670426391
Energy: -3.686312687798812
Energy: -2.7031194166947343
Energy: -3.400153160521502
Energy: -4.42160621296283
Energy: -3.4001531605225908
Energy: -2.703119416701809
Energy: -3.4001531605133386
Energy: -2.674178452865514
Energy: -3.7776157985361576
Energy: -3.6717622110810244
Energy: -3.7776157984148484
Energy: -2.6741783749851953
Energy: -3.7776157985296273
Energy: -2.7774883939812294
Energy: -2.9309294410965827
Energy: -3.378756791653624
Energy: -2.930929441094406
Energy: -2.7774883939996826
Energy: -2.9309294410938618
Energy: -2.7801144255221852
Energy: -3.879001034215524
Energy: -5.14244112153841
Energy: -3.8790010340985686
Energy: -2.7801144255379677
Energy: -3.879001034106732
Energy: -2.8354380494032423
Energy: -3.7738590210894425
Energy: -3.204102690795159
Energy: -3.7738590210888985
Energy: -2.835438049402154
Energy: -3.773859021094885
Energy: -2.718532589120663
Energy: -4.031844450640366
Energy: -4.132851283550714
Energy: -4.031844450641998
Energy: -2.7185325892305436
Energy: -4.0318444506414535
Energy: -2.8447977344453546
Energy: -3.255470459224428
Energy: -3.9450211668769466
Energy: -3.2554704592032038
Energy: -2.844797734446987
Energy: -3.2554704591966734
Energy: -2.6689573893881384
Energy: -4.0459117489226
Energy: -3.852572277747647
Energy: -4.0459117530790705
Energy: -2.668957389389771
Energy: -4.045911748403128
Energy: -3.1047551055194305
Energy: -3.984072232645898
Energy: -2.769916796798643
Energy: -3.9840692278020065
Energy: -3.1047551055194305
Energy: -3.9840695255344096
Energy: -2.746315656701306
Energy: -3.8210957811770996
Energy: -2.717812722382465
Energy: -3.8210957811776436
Energy: -2.7463156566958635
Energy: -3.8210957811776436
Energy: -3.4337449315845436
Energy: -2.9165836022516762
Energy: -2.730292431684448
Energy: -2.9165836022473233
Energy: -3.433744931580734
Energy: -2.9165836022473233
Energy: -4.193812637741261
Energy: -4.589861730970041
Energy: -2.889398013797452
Energy: -4.589861731046181
Energy: -4.193812637399102
Energy: -4.589861730780756
Energy: -5.1383643049462355
Energy: -4.345036455736166
Energy: -2.6955089338512788
Energy: -4.345039111109258
Energy: -5.138364303264283
Energy: -4.3450364386811495
Energy: -4.212961968545075
Energy: -4.892556180612656
Energy: -2.797363359364982
Energy: -4.892556188695446
Energy: -4.212961396898418
Energy: -4.892556176891899
Energy: -5.734881748657525
Energy: -3.550747743165264
Energy: -2.5465150550278035
Energy: -3.550747743161454
Energy: -5.734871755538879
Energy: -3.550747743161454
Energy: -5.1687589079837375
Energy: -3.512769409274728
Energy: -2.911842924552219
Energy: -3.5127694090930603
Energy: -5.168758920972622
Energy: -3.5127694092344557
Energy: -3.8984960760775715
Energy: -3.3769303654608676
Energy: -2.7145936685357697
Energy: -3.3769303654679423
Energy: -3.8984960831448183
Energy: -3.37693036546631
Energy: -4.89607343884189
Energy: -3.482240861442939
Energy: -2.806525167481183
Energy: -3.482240861448925
Energy: -4.896033165107779
Energy: -3.482240861448925
Energy: -4.476884598206449
Energy: -3.944718478631783
Energy: -3.7719050494714024
Energy: -3.9447184785926495
Energy: -4.47688459815366
Energy: -3.944718478555643
Energy: -2.9701135425724003
Energy: -4.350074931489738
Energy: -2.8891536775378883
Energy: -4.34986384096138
Energy: -2.9701135425751213
Energy: -4.350284552849696
Energy: -3.0077383240389657
Energy: -3.6541292625853092
Energy: -2.7935726982112676
Energy: -3.654129263361549
Energy: -3.0077383240318905
Energy: -3.6541292660678018
Energy: -2.938119745386411
Energy: -3.1498932568252034
Energy: -2.695936009551217
Energy: -3.1498932564193725
Energy: -2.9381184259091344
Energy: -3.1498932566984523

minimum gb energy = -5.734881748657525 eV
minimum distance =  2.31554622113303 Angstroms
sigma value = 81


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

Energy: -1.34372026789344
Energy: -1.6413227600527087
Energy: -1.2511341840195227
Energy: -1.6413227600534557
Energy: -1.3437202678897056
Energy: -1.6413227600527087
Energy: -1.369694034206204
Energy: -1.7505368605711145
Energy: -1.4900895975690098
Energy: -1.7505368605681266
Energy: -1.3696940342009756
Energy: -1.7505368605711145
Energy: -1.2928690554722584
Energy: -1.294507521173793
Energy: -1.4455288628339473
Energy: -1.2945075211797343
Energy: -1.2928690554722584
Energy: -1.2945075211678176
Energy: -1.489805786139376
Energy: -1.6484379874860953
Energy: -1.5888163043284214
Energy: -1.6484379874875894
Energy: -1.4898057861916267
Energy: -1.64843798748983
Energy: -1.299104771161162
Energy: -0.8064175070111256
Energy: -1.5347981420637582
Energy: -0.8064175070133663
Energy: -1.2991047711559336
Energy: -0.8064175070126195
Energy: -1.5100491712783612
Energy: -1.8282020419696896
Energy: -1.8246085054924743
Energy: -1.828202021698318
Energy: -1.5100491712567006
Energy: -1.8282020364426863
Energy: -1.5633628171024156
Energy: -1.5410716865149867
Energy: -1.1851512890420703
Energy: -1.5410716865157337
Energy: -1.5633628170927056
Energy: -1.5410716865635028
Energy: -1.6033975594607688
Energy: -1.393829376844262
Energy: -1.313467788346663
Energy: -1.393829376862154
Energy: -1.6033975594600216
Energy: -1.3938293768502372
Energy: -1.5544280573078315
Energy: -1.0909186642662907
Energy: -1.0046332270851739
Energy: -1.0909186642685313
Energy: -1.5544280573093257
Energy: -1.0909186642289448
Energy: -1.7268692753186836
Energy: -0.7647484960500651
Energy: -1.509266501777791
Energy: -0.7647484960485713
Energy: -1.7268692753201775
Energy: -0.7647484960493183
Energy: -1.5969928958359043
Energy: -1.5057007768708772
Energy: -1.5823003999664327
Energy: -1.505700776871624
Energy: -1.5969928958336632
Energy: -1.5057007768708772
Energy: -1.590030935443208
Energy: -1.2770801200886153
Energy: -1.4684331332449223
Energy: -1.2770801200886153
Energy: -1.590030935443208
Energy: -1.277080120090109
Energy: -1.324019551542864
Energy: -1.620906274513442
Energy: -1.1035102681740223
Energy: -1.6209062745075005
Energy: -1.3240195515443582
Energy: -1.6209062745097074
Energy: -1.5808313887991676
Energy: -0.8705092507903086
Energy: -1.5026640676213772
Energy: -0.8705092507918024
Energy: -1.5808313887969268
Energy: -0.8705092507910555
Energy: -1.6129661618355795
Energy: -1.9701764498832612
Energy: -1.021662493395841
Energy: -1.9701764498832612
Energy: -1.6129661618340856
Energy: -1.9701764498840082
Energy: -1.8443693659635774
Energy: -2.106200308641204
Energy: -1.3135138167864338
Energy: -2.1062003086382166
Energy: -1.844369365964324
Energy: -2.106200308638963
Energy: -1.8349214388771857
Energy: -1.596829502673481
Energy: -1.5778017970024003
Energy: -1.5968295026772152
Energy: -1.8349214388764727
Energy: -1.596829502673481
Energy: -1.3115372271569818
Energy: -1.4460820491000277
Energy: -1.8338316149229321
Energy: -1.4460822974376821
Energy: -1.3115372271584758
Energy: -1.4460823646672276
Energy: -1.425222938982562
Energy: -1.7700236181057771
Energy: -1.6089865430410608
Energy: -1.7700236181080176
Energy: -1.425222938982562
Energy: -1.7700236181065239
Energy: -1.710591260649215
Energy: -2.0948606532585714
Energy: -1.5741216021418474
Energy: -2.0948606532600653
Energy: -1.7105912606656473
Energy: -2.0948606532608123
Energy: -1.447201883064668
Energy: -0.6750784069164999
Energy: -1.438993430772931
Energy: -0.6750784069194875
Energy: -1.4472018831057147
Energy: -0.6750784069187407
Energy: -1.3181783316275013
Energy: -1.398223017818838
Energy: -1.5881993178369218
Energy: -1.398223017803187
Energy: -1.3181783316162974
Energy: -1.3982230177456738
Energy: -1.316559945965797
Energy: -1.3652046571921546
Energy: -1.5883324778984185
Energy: -1.3652046571914076
Energy: -1.3165599460262636
Energy: -1.365204657185432
Energy: -1.4455617755732728
Energy: -0.6739687800876464
Energy: -1.5969309699060141
Energy: -0.6739687800883933
Energy: -1.4455617757024224
Energy: -0.6739687800898871
Energy: -1.4111763334840408
Energy: -2.1297684865808546
Energy: -1.5833712845839971
Energy: -2.1297684864002018
Energy: -1.4111763334818002
Energy: -2.129768487421513
Energy: -1.4254100696524972
Energy: -1.7824687789499325
Energy: -1.6094082781341696
Energy: -1.7824687789506795
Energy: -1.4254100696510035
Energy: -1.7824687789514266
Energy: -1.333322103493701
Energy: -1.6768033658488466
Energy: -1.8339200854843087
Energy: -1.6768035508198211
Energy: -1.333322103492954
Energy: -1.676803590954169
Energy: -1.8454068234528616
Energy: -1.5984609757251933
Energy: -1.5323811682093305
Energy: -1.598460975721459
Energy: -1.8454068234536083
Energy: -1.5984609757236994
Energy: -1.8443832179323862
Energy: -2.1060899747702018
Energy: -1.314132534803054
Energy: -2.106089974778418
Energy: -1.8443832179323862
Energy: -2.1060899747761774
Energy: -1.6141035124172247
Energy: -1.9701764498742982
Energy: -1.0215993492378563
Energy: -1.970176449876539
Energy: -1.6141035124194651
Energy: -1.9701764498772858
Energy: -1.5701955974489037
Energy: -1.5659381497579479
Energy: -1.5021707585763957
Energy: -1.5659381498161735
Energy: -1.5701955974489037
Energy: -1.5659381497818152
Energy: -1.5170026622257733
Energy: -1.652400301450094
Energy: -1.2138262423929773
Energy: -1.6524003015008508
Energy: -1.5170026622183042
Energy: -1.6524003014127482
Energy: -1.5873477510367267
Energy: -1.2569319828214167
Energy: -1.4680838905468279
Energy: -1.256931982824404
Energy: -1.5873477510352327
Energy: -1.2569319828214167
Energy: -1.5963191293919756
Energy: -1.4920980086948317
Energy: -1.5815383337700935
Energy: -1.492098008693338
Energy: -1.5963191293852874
Energy: -1.4920980086963258
Energy: -1.7268692753201775
Energy: -0.7650994663578919
Energy: -1.493644795265038
Energy: -0.7650994663556512
Energy: -1.7268692753201775
Energy: -0.7650994663571451
Energy: -1.5542791888574188
Energy: -1.180467542084926
Energy: -1.221675032416124
Energy: -1.1804675420819384
Energy: -1.5542791888581657
Energy: -1.1804675420819384
Energy: -1.6028343942769445
Energy: -1.3948375876205508
Energy: -1.3136279469721592
Energy: -1.394837587648153
Energy: -1.6028343942761976
Energy: -1.394837587580964
Energy: -1.5589855520883174
Energy: -1.503431817371547
Energy: -1.185303157284136
Energy: -1.503431817373041
Energy: -1.5589855520868234
Energy: -1.5034318173708

minimum gb energy = -2.129768487421513 eV
minimum distance =  2.35814457230556 Angstroms
sigma value = 43


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

Energy: -1.333272219553013
Energy: -1.4929713567598224
Energy: -0.5222066087211706
Energy: -1.4929713567570906
Energy: -1.3332722195621873
Energy: -1.4929713567607397
Energy: -0.6067472938388928
Energy: -1.324393528057313
Energy: -0.8527665006499823
Energy: -1.3243935280545607
Energy: -0.6067472938416453
Energy: -1.3243935280563954
Energy: -1.1796752242200488
Energy: -0.45570709932188413
Energy: -0.8742741885314024
Energy: -0.455707099323719
Energy: -1.1796752238064632
Energy: -0.4557070993200492
Energy: -1.0579357586099727
Energy: -0.8824285776667404
Energy: -0.8546815676670223
Energy: -0.8824285776667404
Energy: -1.057935758608138
Energy: -0.8824285776667404
Energy: -0.854788780546579
Energy: -1.8568910485509484
Energy: -0.8822679973920701
Energy: -1.856891048512436
Energy: -0.8547887805310032
Energy: -1.8568910485115186
Energy: -0.8563977516736268
Energy: -1.950111030478144
Energy: -0.8600966547916034
Energy: -1.9501110305111515
Energy: -0.8563977516772965
Energy: -1.950111030493741
Energy: -0.8372578364162725
Energy: -0.6888986102679607
Energy: -0.7551864474029003
Energy: -0.6888986102679607
Energy: -0.83725783641719
Energy: -0.6888986102679607
Energy: -1.0474288851189688
Energy: -0.5729553415025838
Energy: -1.0927311676438205
Energy: -0.5729553415071711
Energy: -1.0474288851171338
Energy: -0.5729553415025838
Energy: -0.9265275678927167
Energy: -1.2465914759954528
Energy: -0.5258397226270022
Energy: -1.2465914759954528
Energy: -0.9265275678936342
Energy: -1.2465914759963705
Energy: -0.9225034433355705
Energy: -1.8660729757425387
Energy: -1.2900313504290999
Energy: -1.8660729820371709
Energy: -0.9225034433355705
Energy: -1.866072979551946
Energy: -0.8461235534664874
Energy: -1.182206100956288
Energy: -0.750841443406095
Energy: -1.182206100955371
Energy: -0.84612355346557
Energy: -1.1822061009654625
Energy: -0.903772842587245
Energy: -0.5791290194121191
Energy: -1.0924465438061215
Energy: -0.5791290194112018
Energy: -0.9037728425881625
Energy: -0.5791290194130366
Energy: -0.9267495272166207
Energy: -0.882816822174869
Energy: -0.9020458904336079
Energy: -0.882816822174869
Energy: -0.9267495272166207
Energy: -0.882816822174869
Energy: -0.8433491653647093
Energy: -1.917962671036686
Energy: -0.8497611553445261
Energy: -1.9179626701691674
Energy: -0.8433491653637918
Energy: -1.9179626669475789
Energy: -0.8412471217650871
Energy: -1.8891257931528924
Energy: -0.9219545714273946
Energy: -1.8891257931547274
Energy: -0.8412471217650871
Energy: -1.8891257931345433
Energy: -0.7529913656427153
Energy: -0.8069573837816757
Energy: -0.8488794713225344
Energy: -0.8069573837825931
Energy: -0.7529913656399628
Energy: -0.8069573837825931
Energy: -0.8085669289265864
Energy: -0.34564294189283395
Energy: -0.8769622033921737
Energy: -0.34564294187450567
Energy: -0.8085669289275038
Energy: -0.34564294187450567
Energy: -1.1654123719670897
Energy: -1.6795995070579826
Energy: -0.9126956967917317
Energy: -1.679599507057065
Energy: -1.1654123719689244
Energy: -1.679599507028624
Energy: -1.1742604697883472
Energy: -1.8663367036449077
Energy: -0.907636986935779
Energy: -1.8663367037650318
Energy: -1.1742604697819248
Energy: -1.8663367035907983
Energy: -0.8576796404752874
Energy: -1.8561560329734896
Energy: -0.8478554001409544
Energy: -1.856156032954244
Energy: -0.8576796404752874
Energy: -1.8561560329652325
Energy: -0.9483278958440464
Energy: -1.2534030452541312
Energy: -0.8485832064407799
Energy: -1.2534030452541312
Energy: -0.9483278958431289
Energy: -1.2534030452559661
Energy: -0.8429154267748835
Energy: -1.8825799127979623
Energy: -0.9104094193635808
Energy: -1.8825799128878313
Energy: -0.842915426765709
Energy: -1.8825799127823653
Energy: -0.8455377946491235
Energy: -1.9149347734011573
Energy: -0.8450769476016448
Energy: -1.914936293283876
Energy: -0.845537794650041
Energy: -1.9149282390209161
Energy: -0.9238352239173082
Energy: -1.7624186844959624
Energy: -0.8418294273155876
Energy: -1.7624186844161855
Energy: -0.9238352239054021
Energy: -1.762418684445544
Energy: -0.9216137632768532
Energy: -1.1042334056118839
Energy: -1.0884172847114555
Energy: -1.1042334056091316
Energy: -0.9216137632759358
Energy: -1.1042334056118839
Energy: -0.8428941543988322
Energy: -1.1781337550780304
Energy: -0.7511084026621325
Energy: -1.1781337550174993
Energy: -0.8428941543979147
Energy: -1.1781337550496103
Energy: -0.9140975595470371
Energy: -1.9005657247313286
Energy: -1.1737583611671696
Energy: -1.9005657270881302
Energy: -0.9140975595461196
Energy: -1.9005657269019698
Energy: -0.9256085360953609
Energy: -1.6582041995637775
Energy: -1.1859594006420593
Energy: -1.6582041992455452
Energy: -0.925608536083434
Energy: -1.6582041994775574
Energy: -1.0376006125447228
Energy: -0.6354179538429143
Energy: -1.1009180030769692
Energy: -0.6354179539043631
Energy: -1.0376006125419706
Energy: -0.6354179539016108
Energy: -0.8410277595961533
Energy: -0.6861012827621847
Energy: -0.7569905455278413
Energy: -0.6861012827612674
Energy: -0.8410277595952359
Energy: -0.6861012827621847
Energy: -0.9151169993213163
Energy: -1.961455375200136
Energy: -0.8514839236423993
Energy: -1.9614553664257839
Energy: -0.9151169993231513
Energy: -1.9614553810921713

minimum gb energy = -1.9614553810921713 eV
minimum distance =  2.36971179969591 Angstroms
sigma value = 57


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

Energy: -2.484398766202457
Energy: -1.7175949907291017
Energy: -3.662141003691818
Energy: -1.717594913331888
Energy: -2.4844936113901923
Energy: -1.7175950159016307
Energy: -2.889334573128132
Energy: -3.274441597333083
Energy: -3.509404413385365
Energy: -3.274441597333083
Energy: -2.8893292742580683
Energy: -3.274441597333083
Energy: -3.1402173282020542
Energy: -2.296605132025094
Energy: -2.9954255544480657
Energy: -2.2966051237870144
Energy: -3.1402173280132843
Energy: -2.296605109758086
Energy: -3.1986276888124237
Energy: -2.978405371096489
Energy: -3.0052800981524808
Energy: -2.9784053710976766
Energy: -3.1986276891448773
Energy: -2.9784053710976766
Energy: -2.950753755395986
Energy: -2.3053459593367616
Energy: -2.6476503207351967
Energy: -2.305345959340326
Energy: -2.950753755395986
Energy: -2.3053459593391374
Energy: -2.8956707932742214
Energy: -2.530218122760293
Energy: -2.721400590481354
Energy: -2.530221543650697
Energy: -2.8956707932742214
Energy: -2.530220094418536
Energy: -3.0974560778880584
Energy: -2.045686149031297
Energy: -2.6681582935846877
Energy: -2.045686149033673
Energy: -3.0974560778916227
Energy: -2.045686149032485
Energy: -2.9856018134330005
Energy: -1.3756777744617503
Energy: -3.3710351677303967
Energy: -1.3756777744581865
Energy: -2.9856018134330005
Energy: -1.3756777744629383
Energy: -3.4871244297341826
Energy: -3.035559539568522
Energy: -2.995192019308547
Energy: -3.0355595395839647
Energy: -3.487124562045483
Energy: -3.0355595395863406
Energy: -2.784080764487199
Energy: -2.506572407950475
Energy: -2.734140848507116
Energy: -2.506572407952851
Energy: -2.7840807645299375
Energy: -2.506572407950475
Energy: -3.1845632528826706
Energy: -3.4792708993913717
Energy: -2.6529431974531232
Energy: -3.479270899481599
Energy: -3.1845632528862344
Energy: -3.479270899296366
Energy: -2.6121188686210877
Energy: -2.0726999596340816
Energy: -2.9496048514206046
Energy: -2.072699959579465
Energy: -2.612118900953533
Energy: -2.072699959611511
Energy: -3.1646083615611555
Energy: -2.3198935532759672
Energy: -2.9524242635791316
Energy: -2.3198935536084204
Energy: -3.1646083279914476
Energy: -2.319893554614149
Energy: -2.5354776031012323
Energy: -3.1274490717870695
Energy: -2.986262385514267
Energy: -3.127449071813176
Energy: -2.535477602911248
Energy: -3.1274490718060757
Energy: -2.886388855249291
Energy: -1.961199587563966
Energy: -2.9901837477440094
Energy: -1.9611995756687415
Energy: -2.88638884601855
Energy: -1.9611995881006588
Energy: -2.597490278401291
Energy: -2.4129558769905857
Energy: -3.512504630789801
Energy: -2.4129551331388974
Energy: -2.597490278521216
Energy: -2.4129548860978605
Energy: -2.3081159846007733
Energy: -1.2195619524018502
Energy: -2.5096556075794183
Energy: -1.2195619524018502
Energy: -2.3081159846067125
Energy: -1.2195619524018502
Energy: -2.5417624695319785
Energy: -3.338535161391462
Energy: -2.523692784246803
Energy: -3.338535161394999
Energy: -2.541762469562837
Energy: -3.338535161383146
Energy: -2.5348205658734977
Energy: -3.510567567526301
Energy: -3.19821111915753
Energy: -3.510567564221804
Energy: -2.5348205671167
Energy: -3.510567573958352
Energy: -3.168568724425461
Energy: -2.2361101346206635
Energy: -2.6401084996510256
Energy: -2.236110134669368
Energy: -3.168568724429025
Energy: -2.236110134663428
Energy: -2.98946034722619
Energy: -1.3069404820945603
Energy: -3.112180557505069
Energy: -1.306940482093372
Energy: -2.9894603467678724
Energy: -1.3069404820945603
Energy: -3.0932652754530943
Energy: -3.3035260437548275
Energy: -2.7080072262724695
Energy: -3.3035260440291006
Energy: -3.0932652754495304
Energy: -3.3035260439281813
Energy: -3.102403650230768
Energy: -2.2998372943235426
Energy: -2.659323998163616
Energy: -2.299837098008694
Energy: -3.1024036501369774
Energy: -2.299836834529538
Energy: -2.9914511840905673
Energy: -3.510011725882375
Energy: -2.9346334462931543
Energy: -3.510011725863368
Energy: -2.9914511850202694
Energy: -3.510011725055967

minimum gb energy = -3.662141003691818 eV
minimum distance =  2.36388385208257 Angstroms
sigma value = 17


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

Energy: -1.1046791444363564
Energy: -0.860727690010142
Energy: 1.2685607407134036
Energy: -0.8613306891770212
Energy: -1.105929528603794
Energy: -0.8604649671044663
Energy: -1.8536725989113911
Energy: -1.5957437592298584
Energy: -3.218455054308585
Energy: -1.576500087416766
Energy: -2.525593137033479
Energy: -1.5756953614880524
Energy: -3.2158544204461417
Energy: -1.1680550717036986
Energy: -3.2205932352176947
Energy: -1.1562716488040825
Energy: -1.706383574989785
Energy: -1.1751997253341055
Energy: -2.8110329400105925
Energy: -1.1360188611416389
Energy: -3.219981210721367
Energy: -1.1360188615077174
Energy: -2.4730635889780244
Energy: -1.136018861631958
Energy: -3.2182049356569604
Energy: -1.5262960296454093
Energy: -2.5650000746348645
Energy: -1.5378646886950464
Energy: -3.2198091082786715
Energy: -1.6163711799447649
Energy: -1.4597870252524756
Energy: -0.8699762175067314
Energy: -0.9264917472420795
Energy: -0.8699772963947162
Energy: -3.219143269582791
Energy: -0.8734555783897309
Energy: -3.213397183260524
Energy: -1.86707054011862
Energy: -3.380218793445757
Energy: -1.8670705429884107
Energy: -1.0945314271428435
Energy: -1.867070543436769
Energy: -3.2153445413019432
Energy: -0.9048512521702885
Energy: -3.219529074088626
Energy: -0.9200480485416404
Energy: -0.813777451917016
Energy: -0.9303479296209789
Energy: -0.8617058893089039
Energy: -1.1719850819971245
Energy: 0.6196292368507534
Energy: -1.1719851925397513
Energy: -0.5349857149775524
Energy: -1.1719851226425204
Energy: -0.8913540487173869
Energy: -1.1917470976142535
Energy: -0.8613072305896912
Energy: -1.184617098159672
Energy: -1.0606793575393176
Energy: -1.2232088567226989
Energy: -2.627290178158276
Energy: -1.7672009319526785
Energy: -3.2146331098091045
Energy: -1.7672009208765918
Energy: -2.8396514255964336
Energy: -1.7672009212292303
Energy: -3.219556802401046
Energy: -1.2268883682395912
Energy: -2.3283486418592436
Energy: -1.2268883671044348
Energy: -3.148940008423601
Energy: -1.226888368246311
Energy: -3.2209717791534764
Energy: -0.3278489576887603
Energy: -3.216957434581662
Energy: -0.3276195526063182
Energy: -3.2209191994260786
Energy: -0.32759897403584737
Energy: -2.5698739935307024
Energy: -1.1738840666184935
Energy: -3.2150756487524816
Energy: -1.1738840670265327
Energy: -3.1469147918295763
Energy: -1.1738840666319332
Energy: -3.215810693525793
Energy: -1.7357793660427614
Energy: -0.7172102324939136
Energy: -1.735779366203961
Energy: -3.2168250042707887
Energy: -1.7357793666724406
Energy: -3.2151137679577086
Energy: -1.6989637717546746
Energy: -0.9610170173037418
Energy: -1.6989637560892823
Energy: -3.1778778716577913
Energy: -1.6989634235210456
Energy: -0.8603259242964362
Energy: -1.1752733313388626
Energy: -3.2194776243963403
Energy: -1.1752735567581818
Energy: -1.0640159527844395
Energy: -1.1752734524571773

minimum gb energy = -3.380218793445757 eV
minimum distance =  2.33783090918689 Angstroms
sigma value = 17


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

Energy: -2.215764952689497
Energy: -2.5235372128602735
Energy: -1.8291926591793792
Energy: -2.523537213070377
Energy: -2.215764952690146
Energy: -2.52353721296015
Energy: -1.9462947870638838
Energy: -2.5107184185033775
Energy: -2.6041903963615067
Energy: -2.510718418501431
Energy: -1.9462947871968166
Energy: -2.5107184185033775
Energy: -1.7491302923108354
Energy: -2.190139230047919
Energy: -1.9604810086208773
Energy: -2.1901392300485676
Energy: -1.7491302923108354
Energy: -2.190139230049217
Energy: -2.5522969584827866
Energy: -2.6047571158913163
Energy: -1.9376048961245733
Energy: -2.6047571163050356
Energy: -2.5522969584944644
Energy: -2.604757116190268
Energy: -2.5277270453300624
Energy: -1.8364507737436861
Energy: -1.7142036970266923
Energy: -1.8364507737430373
Energy: -2.5277270453333056
Energy: -1.836450773744335
Energy: -1.9950731103254504
Energy: -1.921505192754789
Energy: -1.3623166726491438
Energy: -1.9215051928306621
Energy: -1.9950731103228556
Energy: -1.9215051931711034
Energy: -2.391601210966995
Energy: -2.3525122214064607
Energy: -1.434439136619212
Energy: -2.352512221405812
Energy: -2.3916012109624543
Energy: -2.352512221405163
Energy: -2.0528182730246427
Energy: -2.320362987568789
Energy: -2.610953338159002
Energy: -2.3203629875798177
Energy: -2.052818273023345
Energy: -2.3203629875726812
Energy: -1.3611981993771354
Energy: -1.984364623650554
Energy: -2.547911532537854
Energy: -1.9843646236440668
Energy: -1.3611981993758377
Energy: -1.9843646236415016
Energy: -1.9597076865017253
Energy: -1.6571823530372856
Energy: -2.2796491826266654
Energy: -1.6571823530366367
Energy: -1.9597076864984815
Energy: -1.657182353035988
Energy: -2.1165772618493364
Energy: -1.6917360418966723
Energy: -2.0895928986346903
Energy: -1.6917360418960232
Energy: -2.1165772618266305
Energy: -1.6917360418973209
Energy: -2.556934377739221
Energy: -2.5139295227138985
Energy: -1.756311785580105
Energy: -2.513929522717791
Energy: -2.556934377738572
Energy: -2.513929522708708
Energy: -2.6054368762041245
Energy: -2.205815235107517
Energy: -1.7781504808576478
Energy: -2.205815235107517
Energy: -2.6054368762099633
Energy: -2.205815235107517
Energy: -2.552273399168738
Energy: -1.6983839913988965
Energy: -2.1470035995924484
Energy: -1.6983839913956529
Energy: -2.552273399171333
Energy: -1.6983839914001941
Energy: -2.4499946335864515
Energy: -2.1745910611004047
Energy: -1.980427203021974
Energy: -2.1745910610984582
Energy: -2.4499946335858023
Energy: -2.1745910611023507
Energy: -2.1963953461448256
Energy: -2.3159928253973097
Energy: -1.7436872359162843
Energy: -2.3159928253979585
Energy: -2.196395346142879
Energy: -2.3159928253934465
Energy: -2.166445396141198
Energy: -2.587036700004164
Energy: -2.550979026523267
Energy: -2.587036700001568
Energy: -2.1664453962397476
Energy: -2.58703670000092
Energy: -1.60967580561693
Energy: -2.3331418932099264
Energy: -2.526473059333235
Energy: -2.3331418932079804
Energy: -1.6096758056156326
Energy: -2.3331418932131704
Energy: -3.5179374149598726
Energy: -2.2168232847594425
Energy: -2.606441018491834
Energy: -2.2168232851115612
Energy: -3.517937414970901
Energy: -2.216823285070042
Energy: -2.604813065977873
Energy: -1.7820632601866755
Energy: -2.6083521005196166
Energy: -1.7820632601873243
Energy: -2.60481306597917
Energy: -1.7820632601814859
Energy: -2.540181959220556
Energy: -2.2167306734173753
Energy: -1.324686945847703
Energy: -2.2167306734173753
Energy: -2.5401819592166635
Energy: -2.2167306734160777
Energy: -2.5268436980661337
Energy: -2.336512192859317
Energy: -2.247730555466967
Energy: -2.3365121928586685
Energy: -2.5268436980674314
Energy: -2.336512192857371
Energy: -2.4581935963663017
Energy: -2.5873998651024896
Energy: -2.1626720950773546
Energy: -2.5873998650758914
Energy: -2.45819359636695
Energy: -2.5873998651037873
Energy: -1.757987121633698
Energy: -2.103405206046492
Energy: -2.1607522185185273
Energy: -2.103405206048438
Energy: -1.7579871216343468
Energy: -2.1034052060490867
Energy: -1.9802037581871559
Energy: -2.1749870368647746
Energy: -2.5515747880764525
Energy: -2.174987036865423
Energy: -1.9802037581878047
Energy: -2.1749870368647746
Energy: -2.1477741853445105
Energy: -1.6985818706896365
Energy: -2.551990852531752
Energy: -1.6985818706915827
Energy: -2.1477741907175836
Energy: -1.6985818706896365
Energy: -1.7777001511990531
Energy: -2.205930656066672
Energy: -2.6048544465880576
Energy: -2.2059306560660237
Energy: -1.777700151197107
Energy: -2.2059306560705645
Energy: -1.7482881366667709
Energy: -2.512685197699296
Energy: -2.5545455646303963
Energy: -2.5126851976986475
Energy: -1.7482881366648246
Energy: -2.5126851976979987
Energy: -2.310657166223299
Energy: -1.6532809350232525
Energy: -2.1164996421506275
Energy: -1.6532809350251985
Energy: -2.3106571662252455
Energy: -1.6532809350251985
Energy: -2.2795718726209366
Energy: -1.8968926983867047
Energy: -1.959319453299989
Energy: -1.8968926983867047
Energy: -2.2795718726209366
Energy: -1.8968926983854069
Energy: -2.54710546261818
Energy: -1.9838620839351477
Energy: -1.3608748823319146
Energy: -1.9838620838709515
Energy: -2.547105462622721
Energy: -1.9838620838813315
Energy: -2.6118524698991954
Energy: -2.3202478166806744
Energy: -2.050880298755274
Energy: -2.3202478166787284
Energy: -2.6118524699011414
Energy: -2.3202478166806744
Energy: -1.4351156255808402
Energy: -2.352609831872715
Energy: -2.3927943493217345
Energy: -2.352609831872715
Energy: -1.4351156255756505
Energy: -2.352609831874012
Energy: -1.3623862588325457
Energy: -2.000110182995676
Energy: -1.994904875773604
Energy: -2.000110183012514
Energy: -1.3623862588331945
Energy: -2.000110183002163
Energy: -1.844809447462911
Energy: -1.8364507737462812
Energy: -2.60310524255574
Energy: -1.8364507737469298
Energy: -1.844809447462911
Energy: -1.8364507737462812
Energy: -1.933110606417028
Energy: -2.604407142005617
Energy: -2.5518091057945056
Energy: -2.6044071420043196
Energy: -1.9331106064163794
Energy: -2.6044071420095096
Energy: -1.9612489746228303
Energy: -2.190097023148174
Energy: -1.7491107628541707
Energy: -2.190097023149471
Energy: -1.961248974616992
Energy: -2.19009702315012
Energy: -2.603940065676874
Energy: -2.510879343043284
Energy: -1.946110519538103
Energy: -2.5108793430400405
Energy: -2.603940065696336
Energy: -2.510879343041987
Energy: -2.335437645179438
Energy: -2.5235372130386184
Energy: -2.215764952689497
Energy: -2.5235372132247185
Energy: -2.335437645228742
Energy: -2.523537212933552
Energy: -2.6041903963025006
Energy: -2.51071841847616
Energy: -1.946294786187819
Energy: -2.5107184184845934
Energy: -2.6041903962966617
Energy: -2.5107184184748625
Energy: -1.9604810086247697
Energy: -2.190139230045324
Energy: -1.7491302923121328
Energy: -2.190139230047919
Energy: -1.9604810086254185
Energy: -2.1901392300459728
Energy: -1.9376048961258707
Energy: -2.6047571163134693
Energy: -2.5522969584821382
Energy: -2.604757116310874
Energy: -1.9376048961252221
Energy: -2.6047571161182868
Energy: -1.7142036403150318
Energy: -1.836450773747549
Energy: -2.5277270453346032
Energy: -1.8364507737462812
Energy: -1.714203676914301
Energy: -1.836450773747549

minimum gb energy = -3.517937414970901 eV
minimum distance =  2.31878168921685 Angstroms
sigma value = 57


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

Energy: -4.074868758278422
Energy: -4.79543265184435
Energy: -4.446915783807341
Energy: -4.795432651861251
Energy: -4.07486875829321
Energy: -4.795432651833787
Energy: -4.84978522805551
Energy: -6.381387976252521
Energy: -6.406436237394307
Energy: -6.381387976252521
Energy: -4.849785228051284
Energy: -6.381387976252521
Energy: -4.497445698389258
Energy: -4.462695709722737
Energy: -5.319429067995935
Energy: -4.462695709725906
Energy: -4.497445698417779
Energy: -4.4626957097216815
Energy: -5.532359057636272
Energy: -4.477061731423835
Energy: -4.830853854532482
Energy: -4.477061780994224
Energy: -5.5323590575697725
Energy: -4.477061765597004
Energy: -4.640591198835313
Energy: -4.474535373594996
Energy: -3.732764832908296
Energy: -4.474535373602391
Energy: -4.640591198837425
Energy: -4.474535373598166
Energy: -5.553462776736963
Energy: -4.279148464504399
Energy: -4.259751183310435
Energy: -4.27914846382337
Energy: -5.553462778665967
Energy: -4.279148464059887
Energy: -4.504606741249218
Energy: -5.253669333489747
Energy: -5.6905189732256405
Energy: -5.2536690606165
Energy: -4.50460674146144
Energy: -5.2536680250078645
Energy: -4.487752292228107
Energy: -5.152569174656629
Energy: -6.381751775164103
Energy: -5.152569174651347
Energy: -4.487752292223882
Energy: -5.152569174647122
Energy: -4.0470550007514134
Energy: -4.969768636822939
Energy: -5.696328910950436
Energy: -4.969768636904226
Energy: -4.047055000774652
Energy: -4.969768636437532
Energy: -4.031321954073578
Energy: -6.38166858218564
Energy: -6.376172384341476
Energy: -6.381668582190921
Energy: -4.031321954079916
Energy: -6.381668582190921
Energy: -4.520914989303754
Energy: -4.715309440889155
Energy: -4.100545535571774
Energy: -4.715309440892323
Energy: -4.520914989305867
Energy: -4.715309440951429
Energy: -4.814845052481686
Energy: -4.433630006528297
Energy: -4.8298363917217975
Energy: -4.433630141043791
Energy: -4.814845052484854
Energy: -4.433629863573461
Energy: -4.556290561568895
Energy: -4.946458704130256
Energy: -4.942201144107052
Energy: -4.946458704201029
Energy: -4.55629056157312
Energy: -4.9464587047088715
Energy: -5.576665010561632
Energy: -4.691003868148325
Energy: -4.314162723854835
Energy: -4.691003902684671
Energy: -5.576665013530662
Energy: -4.6910039955052945
Energy: -4.796350989706414
Energy: -5.570113544295852
Energy: -5.685139707421465
Energy: -5.570113544314866
Energy: -4.796350989710639
Energy: -5.5701135442609955
Energy: -4.5037569843215834
Energy: -5.127761328956026
Energy: -5.69783724960648
Energy: -5.127761959985498
Energy: -4.503756984323697
Energy: -5.127762413356939
Energy: -4.25781783999782
Energy: -4.763340055837489
Energy: -5.68861655272334
Energy: -4.7633400558163626
Energy: -4.25781783996085
Energy: -4.76334005575937
Energy: -3.812287140672351
Energy: -5.56388665308001
Energy: -5.690804122970088
Energy: -5.563893833515712
Energy: -3.812287140222558
Energy: -5.56388319105111
Energy: -4.580404564963637
Energy: -4.724585899187873
Energy: -4.947081151068663
Energy: -4.724585899208999
Energy: -4.5804045649646925
Energy: -4.724585899187873
Energy: -4.23477629666093
Energy: -5.553520930177955
Energy: -3.907389534290287
Energy: -5.553521562830246
Energy: -4.234776296606051
Energy: -5.5535212423039955
Energy: -4.552863966036791
Energy: -5.551587421995985
Energy: -4.470831386793638
Energy: -5.551587456443699
Energy: -4.552863965976581
Energy: -5.551587265414584
Energy: -4.5659427950795255
Energy: -4.701421851423279
Energy: -4.45127504440264
Energy: -4.701421851420109
Energy: -4.565942795081638
Energy: -4.701421851414828
Energy: -4.793090194083568
Energy: -5.256298987736865
Energy: -5.692398103262895
Energy: -5.2562989880504425
Energy: -4.793090194083568
Energy: -5.2562989881370115
Energy: -3.70514100402192
Energy: -4.36313976925279
Energy: -5.197768375415621
Energy: -4.36313976927598
Energy: -3.705141004011357
Energy: -4.363139769187299
Energy: -3.555814152043407
Energy: -4.271667230185992
Energy: -5.691794332462935
Energy: -4.2716672256913215
Energy: -3.5558141520391824
Energy: -4.271667229166034
Energy: -4.792701701670752
Energy: -5.575536627980105
Energy: -5.7010369948498365
Energy: -5.575536402983703
Energy: -4.792701701665471
Energy: -5.575536526176481
Energy: -4.792674124830216
Energy: -5.872893111923021
Energy: -4.320485706730265
Energy: -5.872893111867037
Energy: -4.79267412482916
Energy: -5.872893111984238

minimum gb energy = -6.406436237394307 eV
minimum distance =  2.35540010196728 Angstroms
sigma value = 43


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

Energy: -1.3764903465967984
Energy: -2.1261195980749377
Energy: -1.1270318544014104
Energy: -2.1261195980910994
Energy: -1.3764903465906415
Energy: -2.126119598066472
Energy: -1.357381430500187
Energy: -1.4970335097768213
Energy: -1.3329468096660455
Energy: -1.497033509775282
Energy: -1.3573814305017262
Energy: -1.497033509775282
Energy: -1.3314216641717076
Energy: -1.228120632385001
Energy: -1.2327924433278434
Energy: -1.2281206323758003
Energy: -1.331421664170938
Energy: -1.2281206323957756
Energy: -1.395357011173274
Energy: -1.4399384360939482
Energy: -1.163383196463293
Energy: -1.4399384360931784
Energy: -1.3953570111802007
Energy: -1.4399384360939482
Energy: -1.2706826341856885
Energy: -1.672948293950857
Energy: -1.3476804935518316
Energy: -1.6729482939493177
Energy: -1.2706826341856885
Energy: -1.6729482939493177
Energy: -1.386091499012844
Energy: -1.4908748918729415
Energy: -1.4658364855158377
Energy: -1.4908748918729415
Energy: -1.3860914990136133
Energy: -1.4908748918737111
Energy: -1.4960213873702009
Energy: -1.488340195903682
Energy: -1.6164821598076857
Energy: -1.488340195903682
Energy: -1.496021387407143
Energy: -1.4883401959021427
Energy: -1.533098015697028
Energy: -1.656597928907772
Energy: -1.3035183151789405
Energy: -1.6565979289062325
Energy: -1.53309801569318
Energy: -1.6565979289062325
Energy: -1.080585067674031
Energy: -1.304166408366029
Energy: -0.9146935123732507
Energy: -1.30416640836372
Energy: -1.0805850676732613
Energy: -1.30416640836372
Energy: -1.499164903730609
Energy: -1.2321845058800993
Energy: -1.3382718765851156
Energy: -1.2321845058816385
Energy: -1.4991649037290697
Energy: -1.2321845058816385
Energy: -1.3170529614102708
Energy: -1.492760144736693
Energy: -1.5920984924937391
Energy: -1.492760144739002
Energy: -1.3170529614125799
Energy: -1.4927601447359233
Energy: -1.581331768411598
Energy: -2.1743338434801034
Energy: -1.40788542643443
Energy: -2.174333843478564
Energy: -1.581331768411598
Energy: -2.174333843473946
Energy: -1.0411852035347433
Energy: -1.4265148567110408
Energy: -0.9121480539908257
Energy: -1.4265148567110408
Energy: -1.0411852035362825
Energy: -1.4265148567125803
Energy: -1.2097163385509195
Energy: -1.2467033356735657
Energy: -1.0418570513630305
Energy: -1.2467033356727961
Energy: -1.2097163385555372
Energy: -1.2467033356743353
Energy: -1.2143487073393044
Energy: -1.4434468653349353
Energy: -1.5131323250267783
Energy: -1.4434468653364745
Energy: -1.2143487073362258
Energy: -1.4434468653357049
Energy: -1.37632848041555
Energy: -1.1198680964758223
Energy: -1.0366259346082143
Energy: -1.1198680964758223
Energy: -1.3763284804163198
Energy: -1.1198680964758223
Energy: -1.7679475395188775
Energy: -1.581572900212692
Energy: -1.1604202692963697
Energy: -1.5815729002065348
Energy: -1.7679475395142599
Energy: -1.581572900208844
Energy: -1.5894585104687136
Energy: -1.4900402822930685
Energy: -1.7626937205631426
Energy: -1.4900402822946075
Energy: -1.5894585104717918
Energy: -1.4900402822930685
Energy: -1.627958512623902
Energy: -1.6289272089264997
Energy: -1.2312208733310777
Energy: -1.6289272089264997
Energy: -1.6279585126246716
Energy: -1.62892720892573
Energy: -1.0496326411863324
Energy: -1.8775998907501363
Energy: -1.2026644130527007
Energy: -1.877599890754754
Energy: -1.0496326411863324
Energy: -1.877599890750906
Energy: -1.0368760410767668
Energy: -1.2447371767670063
Energy: -1.5899588108482687
Energy: -1.2447371767654671
Energy: -1.0368760410775364
Energy: -1.2447371767677762
Energy: -2.0205568430053935
Energy: -1.6314942524475915
Energy: -1.1517957442476665
Energy: -1.6314942524475915
Energy: -2.0205568430099765
Energy: -1.6314942524468221
Energy: -0.9775903888779057
Energy: -1.6577463383064988
Energy: -1.5794346452382761
Energy: -1.6577463383057292
Energy: -0.9775903888779057
Energy: -1.65774633830419
Energy: -1.369174558973003
Energy: -0.7920531456032879
Energy: -1.5885014503574681
Energy: -0.7920531456025183
Energy: -1.369174558973003
Energy: -0.7920531456032879
Energy: -1.034328286376917
Energy: -1.0929415235530149
Energy: -1.2047595137414582
Energy: -1.0929415235614808
Energy: -1.0343282863761474
Energy: -1.0929415235399662
Energy: -1.6274335354591372
Energy: -1.0424926049099241
Energy: -1.2044057837761708
Energy: -1.0424926049068457
Energy: -1.6274335354483622
Energy: -1.0424926049091547
Energy: -1.5860292527500106
Energy: -1.2580532056602676
Energy: -1.364132595166741
Energy: -1.2580532056579588
Energy: -1.58602925275155
Energy: -1.2580532056748905
Energy: -1.3760768808742767
Energy: -0.915665824642512
Energy: -1.3644219109470868
Energy: -0.915665824638664
Energy: -1.3760768808727375
Energy: -0.9156658246394336
Energy: -1.3642752810339793
Energy: -0.8746184719937112
Energy: -1.5866420515337316
Energy: -0.8746184719944808
Energy: -1.3642752810339793
Energy: -0.8746184719944808
Energy: -1.2045497638118114
Energy: -1.042653468493492
Energy: -1.6271658969921745
Energy: -1.0426534684942619
Energy: -1.2045497638164295
Energy: -1.0426534684942619
Energy: -1.2046974478261256
Energy: -1.0922653835107248
Energy: -1.0343847974566769
Energy: -1.0922653835061067
Energy: -1.2046974478307437
Energy: -1.092265383516077
Energy: -1.5887949136621788
Energy: -0.8041365867733681
Energy: -1.3765780375761614
Energy: -0.8041365867733681
Energy: -1.5887949136621788
Energy: -0.8041365867741377
Energy: -1.5782696137829466
Energy: -1.6577397848106614
Energy: -0.9761433822908693
Energy: -1.6577397848122009
Energy: -1.5782696137814072
Energy: -1.657739784811431
Energy: -1.1515673260109613
Energy: -1.6314273888572335
Energy: -2.020944215325999
Energy: -1.631427388858773
Energy: -1.15156732601404
Energy: -1.631427388858773
Energy: -1.5896213378919384
Energy: -1.2448366966940785
Energy: -1.036825064534976
Energy: -1.2448366966963873
Energy: -1.58962133788886
Energy: -1.2448366967017745
Energy: -1.2028802869919484
Energy: -1.8778533774309765
Energy: -1.0496028568592244
Energy: -1.877853377359436
Energy: -1.2028802869919484
Energy: -1.877853377429437

minimum gb energy = -2.1743338434801034 eV
minimum distance =  2.36934497819333 Angstroms
sigma value = 81


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

Energy: 0.9278640654812434
Energy: 0.929000773659535
Energy: 2.222327998309534
Energy: 0.9290007736597921
Energy: 0.9278640654815005
Energy: 0.9290007736597921
Energy: 0.9296158486903646
Energy: 0.9277701549157942
Energy: 0.9275174847635134
Energy: 0.9277701549160512
Energy: 0.9296158486912324
Energy: 0.9277701549138019
Energy: 0.927433064204952
Energy: 0.9277390907772199
Energy: 0.9298553921825657
Energy: 0.9277390907763523
Energy: 0.9274330642046948
Energy: 0.9277390907788908
Energy: 2.2223279983092765
Energy: 0.9290007736603705
Energy: 0.9278640654815005
Energy: 0.9290007736609489
Energy: 2.2223279983089883
Energy: 0.9290007736592458
Energy: 0.9275174847635134
Energy: 0.9277701549160512
Energy: 0.9296158487463421
Energy: 0.9277701549152159
Energy: 0.9275174847638025
Energy: 0.927770154915505
Energy: 0.9298553921828229
Energy: 0.9277390907780554
Energy: 0.9274330642046948
Energy: 0.927739090777477
Energy: 0.9298553921944233
Energy: 0.9277390907791802
Energy: 0.9278640654815005
Energy: 0.9290007736589566
Energy: 2.222327998309534
Energy: 0.9290007736589566
Energy: 0.9278640654815005
Energy: 0.9290007736589566
Energy: 0.9296158487194781
Energy: 0.9277701549135127
Energy: 0.9275174847635134
Energy: 0.927770154917208
Energy: 0.9296158486980126
Energy: 0.9277701549146694
Energy: 0.927433064204952
Energy: 0.9277390907772199
Energy: -2.301105709997717
Energy: 0.9277390907769306
Energy: 0.927433064204952
Energy: 0.9277390907766414
Energy: 2.2223279983089883
Energy: 0.9290007736600814
Energy: 0.9278640654815005
Energy: 0.9290007736586674
Energy: 2.2223279983089883
Energy: 0.9290007736584104

minimum gb energy = -2.301105709997717 eV
minimum distance =  2.35187089331596 Angstroms
sigma value = 3


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

Energy: -1.1871196302875628
Energy: -1.4372506140957446
Energy: -1.5495031563502277
Energy: -1.4372506140965908
Energy: -1.1871196462563283
Energy: -1.4372506140881287
Energy: -1.7392480692305798
Energy: -2.9241941895758905
Energy: -2.5590955711733008
Energy: -2.924198168036469
Energy: -1.7392480692390422
Energy: -2.924194510102875
Energy: -2.3494840500339205
Energy: -2.4665350863417084
Energy: -1.7449011328719357
Energy: -2.4665350863518634
Energy: -2.349484050028843
Energy: -2.46653508637725
Energy: -2.5651775612974075
Energy: -2.447886121546665
Energy: -2.7173283709129343
Energy: -2.447886121546665
Energy: -2.5651775613016388
Energy: -2.4478861215441268
Energy: -1.6057638335956264
Energy: -2.5474453603706064
Energy: -2.716731871463703
Energy: -2.547445445151772
Energy: -1.605763833589703
Energy: -2.547446078288576
Energy: -2.5073411295622323
Energy: -2.6011811988717084
Energy: -2.377410252178668
Energy: -2.601181198873401
Energy: -2.5073411295715404
Energy: -2.601181198873401
Energy: -1.6129445262643887
Energy: -2.518669366861467
Energy: -3.064843222334793
Energy: -2.5186693866898646
Energy: -1.6129445262652349
Energy: -2.5186693630001424
Energy: -2.2724300297292044
Energy: -2.571160710250016
Energy: -2.7121824269827965
Energy: -2.571160710243246
Energy: -2.272430020486581
Energy: -2.5711607102153207
Energy: -2.505594370566722
Energy: -2.303160050750515
Energy: -2.2893022931948397
Energy: -2.3031600507547463
Energy: -2.5056012651349913
Energy: -2.303160050759823
Energy: -2.3318057791653573
Energy: -2.9960272810998023
Energy: -2.7257724615325354
Energy: -2.9960272895278575
Energy: -2.3318057791805895
Energy: -2.9960272844569693
Energy: -2.450886587038654
Energy: -2.564185096187351
Energy: -2.6655042676780227
Energy: -2.5641850961975057
Energy: -2.450886572705718
Energy: -2.564185096188197
Energy: -2.913634741743153
Energy: -2.8854361201699943
Energy: -2.4767862750739345
Energy: -2.8854361201699943
Energy: -2.9136347843536585
Energy: -2.885436120172533
Energy: -1.8540002844957546
Energy: -2.594173560919538
Energy: -2.775441353104426
Energy: -2.594173560920384
Energy: -1.8540002844957546
Energy: -2.5941735609153067
Energy: -1.8178825699108714
Energy: -2.5942357601061024
Energy: -2.578562961182448
Energy: -2.594235758481235
Energy: -1.8178825700724233
Energy: -2.5942357577918695
Energy: -1.617464144395649
Energy: -2.6906033063049675
Energy: -2.5539133712006357
Energy: -2.6906033111863397
Energy: -1.6174641443939561
Energy: -2.6906033079323732
Energy: -1.6156027743186958
Energy: -2.526006091035514
Energy: -2.4086187965303365
Energy: -2.526006091034667
Energy: -1.6156027743186958
Energy: -2.526006091034667
Energy: -1.603113740348881
Energy: -3.0730957968054327
Energy: -2.3535317145997485
Energy: -3.0736038903394407
Energy: -1.6031137403505735
Energy: -3.0728678640647553
Energy: -1.6017883426168567
Energy: -2.8649034581783006
Energy: -2.5577159359286528
Energy: -2.8649034581774537
Energy: -1.6017883426168567
Energy: -2.8649034581749153
Energy: -2.493026161498858
Energy: -2.252232132925423
Energy: -2.5905451884899784
Energy: -2.252232132924577
Energy: -2.493024994757195
Energy: -2.2522321329279618
Energy: -2.4389298675010607
Energy: -3.040596965430673
Energy: -2.5478889712069637
Energy: -3.0405969490736435
Energy: -2.4389293091094246
Energy: -3.040596963179022
Energy: -2.0108157034460317
Energy: -2.7566818390408714
Energy: -2.1735862328277245
Energy: -2.7566818390121
Energy: -2.0105218540504217
Energy: -2.7566818390425643
Energy: -2.7448585152432634
Energy: -2.621956174805585
Energy: -3.0618289202623536
Energy: -2.6219561748072775
Energy: -2.7448584014934316
Energy: -2.621956174801354
Energy: -2.035297605875154
Energy: -2.872744582852811
Energy: -2.725362720868206
Energy: -2.872744582254799
Energy: -2.0352976060561687
Energy: -2.872744582190486
Energy: -1.8722293052249148
Energy: -3.06391090537645
Energy: -2.796058430062753
Energy: -3.0639109060015417
Energy: -1.8722293052274535
Energy: -3.0639109009695797
Energy: -1.6189963677956816
Energy: -1.9083022278620942
Energy: -2.5623933169667534
Energy: -1.9083022278570168
Energy: -1.618996367793143
Energy: -1.908302227853632
Energy: -1.392975675175734
Energy: -2.6957299978885527
Energy: -2.240319279903926
Energy: -2.695729997002094
Energy: -1.392975675174888
Energy: -2.6957299968616972
Energy: -1.5990456453091877
Energy: -3.059355369933486
Energy: -2.3932103637830684
Energy: -3.059358334118411
Energy: -1.5990456453091877
Energy: -3.0593616122733085
Energy: -1.3923332305760048
Energy: -3.2003135562105918
Energy: -2.5313273160968377
Energy: -3.200357991305758
Energy: -1.3923332305760048
Energy: -3.2003277457527153
Energy: -2.814908979255602
Energy: -2.5670687879303156
Energy: -2.7098582395617488
Energy: -2.5670687879294696
Energy: -2.8149280690817617
Energy: -2.5670687879252383
Energy: -2.4854671765275036
Energy: -1.8264996683410435
Energy: -2.555583299646969
Energy: -1.8264996683401973
Energy: -2.4857187446410154
Energy: -1.8264996683410435
Energy: -1.8421720088214268
Energy: -3.039450745504691
Energy: -2.299413109497407
Energy: -3.0394575685454086
Energy: -1.842172008822273
Energy: -3.03945142663753
Energy: -2.0591775551691383
Energy: -2.0014284617740907
Energy: -2.353982935863787
Energy: -2.0014284617732443
Energy: -2.0591775546455557
Energy: -2.001428461774937
Energy: -1.2923857858243948
Energy: -3.0516932775625936
Energy: -2.5594226742411488
Energy: -3.051917001353008
Energy: -1.2923857858243948
Energy: -3.0517011390499573

minimum gb energy = -3.200357991305758 eV
minimum distance =  2.26959812159665 Angstroms
sigma value = 67


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

Energy: -1.670549553561741
Energy: -1.3203594546127537
Energy: -4.12589514593828
Energy: -1.3203594546850999
Energy: -1.670549553552095
Energy: -1.3203594546501327
Energy: -1.0488624398615398
Energy: -1.5381704862933174
Energy: -1.3350497889633062
Energy: -1.5381704862969345
Energy: -1.0488624398832436
Energy: -1.5381704862945231
Energy: -1.538850585565206
Energy: -1.8990791604263073
Energy: -0.8249383067753598
Energy: -1.8990791603527548
Energy: -1.5388505855688235
Energy: -1.8990791605998292
Energy: -1.149649454383561
Energy: -1.9070076489965704
Energy: -1.334942710639276
Energy: -1.9070076489110153
Energy: -1.1496494543895899
Energy: -1.9070076493569326
Energy: -1.3289059872898097
Energy: -0.9602734758074543
Energy: -1.5387173745500726
Energy: -0.9602734758110716
Energy: -1.3289059872898097
Energy: -0.9602734758098658
Energy: -1.3356677217054873
Energy: -1.6715527535911034
Energy: -1.3340277853664269
Energy: -1.6715527535923094
Energy: -1.3356677217054873
Energy: -1.671552753593515
Energy: -1.5390888403392606
Energy: -1.535561423166055
Energy: -1.5385454081144998
Energy: -1.5355614231636434
Energy: -1.5390888403380547
Energy: -1.5355614231696724
Energy: -1.536799609527403
Energy: -1.1887949811697445
Energy: -0.5918345171338518
Energy: -1.1887949811854195
Energy: -1.5367996095225802
Energy: -1.1887949811697445
Energy: -1.539152218160118
Energy: -1.982064423695925
Energy: -3.954595586861604
Energy: -1.9820644236971308
Energy: -1.5391522181565556
Energy: -1.982064423695925
Energy: -1.5381017207425427
Energy: -2.1350252158414205
Energy: -1.5374226242529971
Energy: -2.1350252157666625
Energy: -1.5381017207437486
Energy: -2.1350252158293626
Energy: -1.3331848933563788
Energy: -1.248616114665797
Energy: -1.5376303001718896
Energy: -1.2486161144368095
Energy: -1.3331848933563788
Energy: -1.2486161145440688
Energy: -1.334470893349519
Energy: -1.5737899900600203
Energy: -1.33446568252954
Energy: -1.573789990061226
Energy: -1.3344708933386669
Energy: -1.5737899900588144
Energy: -1.5378075307821628
Energy: -1.247837085760378
Energy: -1.3336406486147143
Energy: -1.2478370859749512
Energy: -1.5378075307809573
Energy: -1.247837085750732
Energy: -1.53706290389197
Energy: -2.1557498633211294
Energy: -1.5381253510765054
Energy: -2.1557498431828237
Energy: -1.5370629038943817
Energy: -2.1557498396129073
Energy: -1.0637943478401342
Energy: -1.9820857557643612
Energy: -1.5388073645931615
Energy: -1.9820857557643612
Energy: -1.0637904515112306
Energy: -1.9820857557655671
Energy: -0.6002455589222632
Energy: -1.1858107720527638
Energy: -1.5385851839450548
Energy: -1.1858107720612043
Energy: -0.6002455589186458
Energy: -1.1858107720660271
Energy: -1.5385146652659907
Energy: -1.5355389791856777
Energy: -1.5390449889955533
Energy: -1.5355389791856777
Energy: -1.5385146652671966
Energy: -1.535538979184472
Energy: -1.334317120603317
Energy: -1.6713279972145019
Energy: -1.3359088809360093
Energy: -1.6713279972120902
Energy: -1.3343171205997
Energy: -1.6713279972132962
Energy: -1.5376699718914462
Energy: -0.9606709588643302
Energy: -1.333352675286604
Energy: -0.9606709588667418
Energy: -1.5376699718974751
Energy: -0.9606709588631246
Energy: -1.3348883548315837
Energy: -1.9044662825737655
Energy: -1.1491481530469938
Energy: -1.9044662825617078
Energy: -1.3348883548339951
Energy: -1.904466282566531
Energy: -0.8247802442714365
Energy: -1.8990791603563721
Energy: -1.5389983256445041
Energy: -1.8990791611060354
Energy: -0.8247802441714119
Energy: -1.8990791604793062
Energy: -1.3348669908531892
Energy: -1.538051576350794
Energy: -1.050030244666256
Energy: -1.538051576356823
Energy: -1.3348669908507773
Energy: -1.5380515763532054
Energy: -1.6637239685132044
Energy: -1.320359454663396
Energy: -1.6705495535629469
Energy: -1.3203594544946424
Energy: -1.6637239685168215
Energy: -1.3203594546959523

minimum gb energy = -4.12589514593828 eV
minimum distance =  2.36470458251054 Angstroms
sigma value = 33


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

Energy: -1.2892251610208296
Energy: -1.8409550852271608
Energy: -0.9541768901248711
Energy: -1.84095508523328
Energy: -1.2892251610223597
Energy: -1.8409550852271608
Energy: -1.3967241894228775
Energy: -1.5607232903274257
Energy: -1.9581200637508795
Energy: -1.5607232903266608
Energy: -1.3967241894236422
Energy: -1.5607232903266608
Energy: -1.9828479382242477
Energy: -2.101727542846291
Energy: -1.289648747404298
Energy: -2.1017275428470565
Energy: -1.9828479382265425
Energy: -2.101727542846291
Energy: -2.1052997237385793
Energy: -1.5552739347783993
Energy: -1.8419952733428357
Energy: -1.5552739347776345
Energy: -2.105299723734755
Energy: -1.5552739347783993
Energy: -1.2936275634306318
Energy: -1.4306147282169435
Energy: -1.3702744689246995
Energy: -1.4306147282177086
Energy: -1.2936275634313967
Energy: -1.4306147282177086
Energy: -1.1804389204811327
Energy: -2.1290097261046013
Energy: -1.977232859024293
Energy: -2.129009726105366
Energy: -1.1804389204818977
Energy: -2.1290097261038357
Energy: -1.9577799360487733
Energy: -2.1464654005233226
Energy: -2.1909922529396857
Energy: -2.146465400525617
Energy: -1.9577799360487733
Energy: -2.1464654005233226
Energy: -2.1763123229243115
Energy: -1.39721037343751
Energy: -1.0448527268448276
Energy: -1.397210373438275
Energy: -2.176312322923547
Energy: -1.39721037343751
Energy: -1.3703715508947132
Energy: -1.88443091864103
Energy: -1.1765476137382578
Energy: -1.8844309186433246
Energy: -1.3703715508939482
Energy: -1.8844309186440897
Energy: -1.8272515581772288
Energy: -2.7668786509237355
Energy: -1.973679595774155
Energy: -2.1912125824699955
Energy: -1.8272515581764637
Energy: -2.766878650932915
Energy: -1.980760291118776
Energy: -1.873105267602967
Energy: -2.177295749610749
Energy: -1.8731052676044966
Energy: -1.9807602911180113
Energy: -1.8731052676044966
Energy: -1.9629721066622148
Energy: -1.8621957774966402
Energy: -1.1922554620305281
Energy: -1.8621957774966402
Energy: -1.9629721066637447
Energy: -1.8621957774966402
Energy: -1.5616838065817886
Energy: -1.8458081632771188
Energy: -1.2900787191613317
Energy: -1.8458081632809435
Energy: -1.561683806580259
Energy: -1.8458081632717644
Energy: -1.9789826008174884
Energy: -1.557307648044132
Energy: -2.1098737833169654
Energy: -1.557307648044132
Energy: -1.9789826008159586
Energy: -1.5573076480434016
Energy: -1.2503766040021713
Energy: -2.3948070770554857
Energy: -1.983552540551328
Energy: -2.3948070770547205
Energy: -1.2503766040021713
Energy: -2.394807077053191
Energy: -1.843994918950306
Energy: -1.5517845863063437
Energy: -1.7053542690374504
Energy: -1.551784586307109
Energy: -1.843994918951071
Energy: -1.5517845863063437
Energy: -0.8147862134363335
Energy: -1.3403812325782947
Energy: -1.380320450518162
Energy: -1.3403812325790594
Energy: -0.8147862134370984
Energy: -1.3403812325782947
Energy: -1.9800687981915381
Energy: -2.1762578470331277
Energy: -1.670452062415396
Energy: -2.1762578470323626
Energy: -1.9800687981915381
Energy: -2.1762578470331277
Energy: -1.5392151684154964
Energy: -2.149239221167728
Energy: -1.985106804287081
Energy: -2.1492392211661984
Energy: -1.5392151684162614
Energy: -2.1492392211661984
Energy: -1.402635218843395
Energy: -1.44873217192803
Energy: -2.1473710011821545
Energy: -1.448732171921146
Energy: -1.402635218843395
Energy: -1.4487321719226756
Energy: -1.2898632103793126
Energy: -1.7708209864272213
Energy: -1.830435709166412
Energy: -1.7708209864279862
Energy: -1.2898632103800773
Energy: -1.7708209864272213
Energy: -1.9848575513682016
Energy: -2.1913663795364453
Energy: -1.3710812750622772
Energy: -2.1913663795364453
Energy: -1.984857551375086
Energy: -2.1913663795326204
Energy: -2.176021036391288
Energy: -1.954286084605867
Energy: -1.987485205527289
Energy: -1.954286084605867
Energy: -2.176021036392818
Energy: -1.9542860846066317
Energy: -1.0383487132505504
Energy: -1.9722375586554466
Energy: -1.9887649964403313
Energy: -1.9722375586531518
Energy: -1.0383487132505504
Energy: -1.9722375586531518
Energy: -1.1992026656621388
Energy: -1.852697500154021
Energy: -1.977296570563789
Energy: -1.8526975001555506
Energy: -1.1992026656690231
Energy: -1.8526975001547856
Energy: -2.175771867881355
Energy: -1.7570371939584342
Energy: -1.9792950329157188
Energy: -1.757037193959199
Energy: -2.17577186788059
Energy: -1.7570371939584342
Energy: -1.9757830528106946
Energy: -2.1767842448741948
Energy: -1.3702564497760112
Energy: -2.176784244875724
Energy: -1.9757830528114595
Energy: -2.176784244874959
Energy: -1.1812784242448395
Energy: -1.6618869058315253
Energy: -1.828720272082682
Energy: -1.6618869058299957
Energy: -1.1812784242463694
Energy: -1.6618869058307604
Energy: -1.3110628733563612
Energy: -1.3973296546050111
Energy: -2.17680356793153
Energy: -1.3973296546065408
Energy: -1.3110628733525365
Energy: -1.3973296546050111
Energy: -2.192634536201504
Energy: -2.17600400037365
Energy: -1.9753380351195908
Energy: -2.176004000375945
Energy: -2.192634536203799
Energy: -2.1760040003767096
Energy: -1.9759744000071011
Energy: -1.6108924938549365
Energy: -1.3211714251953381
Energy: -1.610892493851112
Energy: -1.9759744000055715
Energy: -1.6108924938526419
Energy: -1.5313284129050475
Energy: -1.5817466964836384
Energy: -1.3726031501823774
Energy: -1.5817466964828737
Energy: -1.5313284129050475
Energy: -1.581746696479049
Energy: -1.8433277914228345
Energy: -1.5479509022893347
Energy: -1.2981148595465148
Energy: -1.5479509022878046
Energy: -1.843327791419775
Energy: -1.5479509022878046
Energy: -1.4304305259877652
Energy: -2.104036211968422
Energy: -1.9857746785983348
Energy: -2.1040362119676574
Energy: -1.430430525968642
Energy: -2.1040362119676574
Energy: -1.9788640023458066
Energy: -1.5592610395973432
Energy: -1.308397230194334
Energy: -1.559261039595813
Energy: -1.9788640023473365
Energy: -1.5592610395965782
Energy: -1.5633318888742207
Energy: -1.7371209411651367
Energy: -1.2885962673712126
Energy: -1.737120941163607
Energy: -1.5633318888726908
Energy: -1.7371209411651367
Energy: -1.9884203393906545
Energy: -1.6260379496335375
Energy: -1.099004289427352
Energy: -1.6260379496343025
Energy: -1.988420339378416
Energy: -1.6260379496327728

minimum gb energy = -2.766878650932915 eV
minimum distance =  2.3048448036701 Angstroms
sigma value = 41


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

Energy: -3.706605702790019
Energy: -3.031668031327974
Energy: -0.9241280304109463
Energy: -3.0316680313258852
Energy: -3.7066057027879307
Energy: -3.0316680313258852
Energy: -3.485157619007851
Energy: -4.442592004728878
Energy: -4.445476304995528
Energy: -4.442592004726789
Energy: -3.483682061493944
Energy: -4.4425920047247
Energy: -3.7076810550167245
Energy: -1.8964660709433707
Energy: -4.450739047524361
Energy: -1.8964957574448758
Energy: -3.7076810550292554
Energy: -1.8964918501467407
Energy: -1.5790447848695903
Energy: -4.437836790381817
Energy: -4.4411891556694965
Energy: -4.437836790383905
Energy: -1.5790447848695903
Energy: -4.437836790379727
Energy: -3.7064991979237507
Energy: -4.4393079242538285
Energy: -4.447263614658722
Energy: -4.4393079281533705
Energy: -3.7064991979258397
Energy: -4.439307928418463
Energy: -3.707018108871273
Energy: -4.026501931158736
Energy: -4.442089807895785
Energy: -4.025052921927945
Energy: -3.7070181088670964
Energy: -4.025867712318976
Energy: -1.5781588808370892
Energy: -4.439785394966293
Energy: -4.441178813340174
Energy: -4.439785394966293
Energy: -1.5781588808370892
Energy: -4.439785394966293
Energy: -3.7058249949869615
Energy: -4.442590295577285
Energy: -4.441083411359528
Energy: -4.442590295577285
Energy: -3.70582499498905
Energy: -4.442590295577285
Energy: -3.46835036355969
Energy: -4.03032911480412
Energy: -4.4436849767914754
Energy: -4.022708198387753
Energy: -3.4683466704531916
Energy: -4.029256335764452
Energy: -3.7048351346610735
Energy: -3.0615213644990673
Energy: -4.442677908256419
Energy: -3.0612706287762586
Energy: -3.7048351346798696
Energy: -3.0615238000673686
Energy: -3.465718072863902
Energy: -4.442469963982953
Energy: -4.440185360115829
Energy: -4.442469963989171
Energy: -3.4223144091848026
Energy: -4.442469963985042
Energy: -3.7054850554356507
Energy: -1.9061892946418961
Energy: -2.6790634080207187
Energy: -1.906189294629413
Energy: -3.7054767062484784
Energy: -1.9061892949821733
Energy: -3.4467041880139995
Energy: -4.437152834679809
Energy: -4.442845698035587
Energy: -4.437152834679809
Energy: -3.493646169754045
Energy: -4.437152834679809
Energy: -3.702758566852255
Energy: -3.0617604647806544
Energy: -4.443487678016063
Energy: -3.062011447525747
Energy: -3.7027585668585203
Energy: -3.061720135110779

minimum gb energy = -4.450739047524361 eV
minimum distance =  2.34911107764746 Angstroms
sigma value = 11


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

Energy: -0.32846756307120284
Energy: -0.9100355890846162
Energy: -0.14993369153269812
Energy: -0.910035589078194
Energy: -0.32846756307120284
Energy: -0.9100355890873687
Energy: -0.3030612921202546
Energy: -0.529920190864104
Energy: -1.0602645905199224
Energy: -0.5299201908650215
Energy: -0.3030612921202546
Energy: -0.5299201908650215
Energy: -1.0607538112842676
Energy: -0.33400450273652305
Energy: -1.2303458629345887
Energy: -0.3340045027374405
Energy: -1.0607538112805976
Energy: -0.3340045027374405
Energy: -0.6770730231315256
Energy: -0.30734948791809275
Energy: -1.0583493875346397
Energy: -0.30734948791901023
Energy: -0.677073023132443
Energy: -0.30734948791901023
Energy: -1.0240099675970558
Energy: -0.1700602134529657
Energy: -0.6514173429131686
Energy: -0.1700602134538832
Energy: -1.0240099675970558
Energy: -0.1700602134538832
Energy: -1.0703159904806803
Energy: -0.6075248229390449
Energy: -1.0625099984159343
Energy: -0.6075248229381274
Energy: -1.070315990479763
Energy: -0.6075248229381274
Energy: -0.7075593074302684
Energy: -0.8163809379701031
Energy: -0.9292219556717692
Energy: -0.8163809379746904
Energy: -0.7075593074321033
Energy: -0.8163809379746904
Energy: -1.0588340596609618
Energy: -0.33350710653755833
Energy: -1.1021753191948072
Energy: -0.3335071065366409
Energy: -1.0588340596609618
Energy: -0.3335071065366409
Energy: -0.06325334848705924
Energy: -0.7892383366919526
Energy: -1.0699395593232661
Energy: -0.7892383366919526
Energy: -0.0632533484879767
Energy: -0.7892383366882828
Energy: -0.895890592772047
Energy: -0.63838754916861
Energy: -0.6972692516189002
Energy: -0.6383875491676924
Energy: -0.8958905927711297
Energy: -0.63838754916861
Energy: -1.8284957463529605
Energy: -0.6221000578565293
Energy: -1.1460091954274385
Energy: -0.6221000578565293
Energy: -1.82849574639239
Energy: -0.6221000578574467
Energy: -1.2420921127901203
Energy: -0.6393788295437769
Energy: -1.160028768174666
Energy: -0.6393788295465294
Energy: -1.2420921127892033
Energy: -0.6393788295428596
Energy: -1.0542902254855362
Energy: -0.3072155297830721
Energy: -0.8063283980374839
Energy: -0.3072155297830721
Energy: -1.054290225484619
Energy: -0.3072155297830721
Energy: -0.6531605252430682
Energy: -0.8485853034621967
Energy: -0.4962148965522323
Energy: -0.8485853034126748
Energy: -0.653160525238481
Energy: -0.8485853034310031
Energy: -1.0710025740799693
Energy: -0.6527161041214817
Energy: -0.3959133252563376
Energy: -0.6527161041214817
Energy: -1.0710025740808868
Energy: -0.6527161041205644
Energy: -0.5932772076308662
Energy: -0.7934642470806377
Energy: -0.9361947036569724
Energy: -0.793464247081555
Energy: -0.5932772076308662
Energy: -0.7934642470824725
Energy: -0.9250986157418085
Energy: -0.6567339999720261
Energy: -0.5664489450586797
Energy: -0.6567339999701913
Energy: -0.925098615742726
Energy: -0.6567339999701913
Energy: -1.1234239302845328
Energy: -0.665346935949078
Energy: -1.0705172923053115
Energy: -0.6653469359499955
Energy: -1.1234239302937072
Energy: -0.665346935949078
Energy: -0.531903103312256
Energy: -0.307521805682965
Energy: -0.7118565019374702
Energy: -0.3075218056857174
Energy: -0.5319031033131735
Energy: -0.3075218056857174
Energy: -1.060042126599411
Energy: -0.3074221010191063
Energy: -1.0550487192411124
Energy: -0.3074221010181888
Energy: -1.0600421266003284
Energy: -0.3074221010191063
Energy: -0.687846843899891
Energy: -0.5464283880387911
Energy: -1.0554008202997318
Energy: -0.5464283880378737
Energy: -0.6878468439090656
Energy: -0.5464283880397086
Energy: -0.49304185016345353
Energy: -0.6236803422185502
Energy: -0.7380786309876118
Energy: -0.6236803422185502
Energy: -0.493041850164371
Energy: -0.6236803422185502
Energy: -0.7786138290663903
Energy: -0.6478715869886762
Energy: -0.8948701637182742
Energy: -0.6478715869886762
Energy: -0.7786138290663903
Energy: -0.6478715869877587
Energy: -1.0670483535906312
Energy: -0.8423214417905606
Energy: -0.5574491319922406
Energy: -0.842321441791478
Energy: -1.0670483535915487
Energy: -0.842321441793313
Energy: -1.1119308864577515
Energy: -0.3340401985996738
Energy: -1.0785218105249395
Energy: -0.3340401985996738
Energy: -1.1119308864577515
Energy: -0.33404019860150874
Energy: -1.0741334685688415
Energy: -0.17224825629864743
Energy: -0.6772561529759524
Energy: -0.17224825629773
Energy: -1.074133468567924
Energy: -0.1722482562968125
Energy: -1.036493758687201
Energy: -0.6122551773005819
Energy: -1.035956983968272
Energy: -0.6122551773014994
Energy: -1.036493758687201
Energy: -0.6122551773024166
Energy: -0.6995235870918373
Energy: -1.0494220726353665
Energy: -1.1612452278986234
Energy: -1.0494220726362837
Energy: -0.6995235870936722
Energy: -1.0494220726372014
Energy: -1.069382958897419
Energy: -0.3077163101464609
Energy: -0.6766826345323387
Energy: -0.3077163101455434
Energy: -1.0693829588919144
Energy: -0.3077163101455434
Energy: -1.2313683440653842
Energy: -0.3074482095723396
Energy: -0.900357636401782
Energy: -0.3074482095714222
Energy: -1.2313683440653842
Energy: -0.3074482095714222
Energy: -1.0554754513937736
Energy: -0.3721955041609713
Energy: -0.30047311139246413
Energy: -0.3721955041600538
Energy: -1.0554754513928564
Energy: -0.3721955041609713

minimum gb energy = -1.82849574639239 eV
minimum distance =  2.32789107343045 Angstroms
sigma value = 57


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

Energy: 0.5765134612373566
Energy: -2.6553554288664216
Energy: 1.1701470962675908
Energy: 0.3830876030927063
Energy: 0.5765134612389892
Energy: 0.38305015264359776
Energy: 0.5148865318658111
Energy: 0.7453522832250454
Energy: 0.7476002003057026
Energy: 0.7453504425666282
Energy: 0.5148865318609132
Energy: 0.7453462310578255
Energy: 0.7532685286557447
Energy: 0.743834182739572
Energy: 0.7416409570294153
Energy: 0.7438341833319189
Energy: 0.7532685286557447
Energy: 0.743834179057998
Energy: 0.7466770226330921
Energy: 1.195204587622444
Energy: 0.7466732804087672
Energy: 1.1952045876208113
Energy: 0.7466770226314595
Energy: 1.195204587622444
Energy: 0.7416378499153142
Energy: 0.7438722941580477
Energy: 0.753220854592091
Energy: 0.7438722936260338
Energy: 0.7416378499169468
Energy: 0.7438722939801654
Energy: 0.7474286967373658
Energy: 0.7450817231540361
Energy: 0.515205018457383
Energy: 0.7450803920260608
Energy: 0.7474286967373658
Energy: 0.7450816257849368
Energy: 1.1701470962659581
Energy: 0.3827618468319968
Energy: 0.5765134612357239
Energy: 0.38403286379025997
Energy: 1.1701470962659581
Energy: 0.38403288870288754
Energy: 0.7476002003057026
Energy: 0.7453514986244368
Energy: 0.5148865318527501
Energy: -3.01242586269229
Energy: 0.7476002003057026
Energy: 0.7453497735667027
Energy: 0.7416409570310479
Energy: 0.7438341909398496
Energy: 0.7532685286557447
Energy: 0.7438341892361662
Energy: 0.7416409570310479
Energy: 0.7438341884675328
Energy: 0.7466732804087672
Energy: 1.1952045876208113
Energy: 0.7466770226330921
Energy: 1.195204587622444
Energy: 0.7466732804087672
Energy: 1.195204587622444
Energy: 0.7532208545937236
Energy: 0.7438722956871513
Energy: 0.7416378499169468
Energy: 0.7438722939981243
Energy: 0.7532208545937236
Energy: 0.743872293425332
Energy: 0.5152050184557504
Energy: 0.7450823774146416
Energy: 0.7474286967389984
Energy: 0.7450815071962493
Energy: 0.5152050184590156
Energy: 0.7450814721739868
Energy: 0.5765134612389892
Energy: 0.38303156594956544
Energy: -1.0511264348840392
Energy: -2.654668335262685
Energy: 0.5765134612389892
Energy: -2.665032091990167
Energy: 0.5148865318690764
Energy: -0.5106180759179674
Energy: 0.7476002003073354
Energy: 0.7453523799723736
Energy: 0.514886531857648
Energy: -0.516926451653088
Energy: 0.7532685286557447
Energy: 0.7438341920773084
Energy: 0.7416409570294153
Energy: 0.7438341886650064
Energy: 0.7532685286557447
Energy: 0.7438341919255482
Energy: 0.7466770226314595
Energy: 1.195204587622444
Energy: 0.7466732804087672
Energy: 1.195204587622444
Energy: 0.7466770226314595
Energy: -2.700686107306051
Energy: 0.7416378499153142
Energy: 0.7438722939703697
Energy: 0.753220854592091
Energy: 0.7438722952971019
Energy: 0.7416378499169468
Energy: 0.7438722959564235

minimum gb energy = -3.01242586269229 eV
minimum distance =  2.3246154685055 Angstroms
sigma value = 9


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

Energy: -1.0005194647993656
Energy: -0.9807614947586853
Energy: -0.35832025931834
Energy: -0.9807614947586853
Energy: -1.0005194648060307
Energy: -0.9807614947573524
Energy: -0.9804002654276803
Energy: -1.1769674402572523
Energy: -2.698284669759465
Energy: -1.1769674402585852
Energy: -0.9804002654263473
Energy: -1.1769674402572523
Energy: -4.45904228536664
Energy: -1.369057166581485
Energy: -2.699825430251802
Energy: -1.3690571665854843
Energy: -4.459042284930919
Energy: -1.3690571665974813
Energy: -4.393702808685745
Energy: -2.4122726197939866
Energy: -1.3893353580900945
Energy: -2.4122726197926534
Energy: -4.393702808007535
Energy: -2.4122726197966524
Energy: -0.9858807273653445
Energy: -0.4780660388284629
Energy: -2.6996341422794465
Energy: -0.4780660388231307
Energy: -0.9858807273666775
Energy: -0.4780660388191316
Energy: -2.6891619275134193
Energy: -0.5888972134053742
Energy: -3.885477211520597
Energy: -0.5888972134053742
Energy: -2.6891619275147525
Energy: -0.5888972134080401
Energy: -4.459397408698209
Energy: -1.3884179629707818
Energy: -2.700153071813737
Energy: -1.3884179628895272
Energy: -4.459397408624922
Energy: -1.3884179629134916
Energy: -0.9830420559318236
Energy: -1.1849738232290388
Energy: -3.2318332967829986
Energy: -1.184973823237037
Energy: -0.9830420559291574
Energy: -1.184973823235704
Energy: -1.1372692973604903
Energy: -1.0740297164990984
Energy: -1.3904426227526399
Energy: -1.074029717351877
Energy: -1.1372692973604903
Energy: -1.0740297173478777
Energy: -4.393628572318458
Energy: -1.2341008254114538
Energy: -3.2312460475700933
Energy: -1.2341008254114538
Energy: -4.3936285723144595
Energy: -1.23410082541412
Energy: -4.3932077152142766
Energy: -4.1372605952023775
Energy: -3.6801880352718164
Energy: -4.136102254260577
Energy: -4.3932077152142766
Energy: -4.1365593077673095
Energy: -4.4596326981766445
Energy: -2.4028655223910125
Energy: -1.386609660534277
Energy: -2.4028655225122875
Energy: -4.459632698283227
Energy: -2.402865522425671
Energy: -4.459881163405695
Energy: -2.4006964967891244
Energy: -3.1267426070702684
Energy: -2.400696496818451
Energy: -4.459881163404363
Energy: -2.4006964968144517
Energy: -2.679943588216657
Energy: -3.0330977864909077
Energy: -1.373666454797931
Energy: -3.1918347027041225
Energy: -2.67994358821799
Energy: -3.192899599808262
Energy: -4.5528869357335395
Energy: -3.4365611963982516
Energy: -3.2283723161530165
Energy: -3.436706806375905
Energy: -4.552886935620292
Energy: -3.4372270435853047
Energy: -1.1560948764240089
Energy: -0.9933314508663507
Energy: -1.3993107008514585
Energy: -0.9933314508183616
Energy: -1.1560948764226757
Energy: -0.9933314508450222
Energy: -0.9840549542400823
Energy: -0.9774883246377625
Energy: -1.3884332266416086
Energy: -0.9774883246390954
Energy: -0.9840549542214198
Energy: -0.9774883246417615
Energy: -0.5283151879896413
Energy: -1.3717958165585409
Energy: -2.7002726671889508
Energy: -1.3717958165558748
Energy: -0.5283151879030245
Energy: -1.3717958165598738
Energy: -2.6944155933907434
Energy: -3.1575005541098307
Energy: -1.3908414106395426
Energy: -3.1556001232296786
Energy: -2.6944155933880776
Energy: -3.1566389247801356
Energy: -4.4598278786934635
Energy: -0.492016193654143
Energy: -2.700779967154951
Energy: -0.4920161935648903
Energy: -4.4598278786934635
Energy: -0.4920161935595581
Energy: -4.39456801684831
Energy: -2.405938221958199
Energy: -1.3906992863010794
Energy: -2.4059382219621983
Energy: -4.394568016849643
Energy: -2.4059382219568963

minimum gb energy = -4.5528869357335395 eV
minimum distance =  2.32183026008277 Angstroms
sigma value = 27


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

Energy: -2.7890604248031323
Energy: -3.075969814532404
Energy: -2.2238523253301823
Energy: -3.0759698145335284
Energy: -2.7890604249704793
Energy: -3.075969814532404
Energy: -2.587474999119687
Energy: -3.429149681500849
Energy: -3.013910538468265
Energy: -3.429149680740469
Energy: -2.5874749991208104
Energy: -3.4291496811032554
Energy: -2.3907883883003986
Energy: -3.062795783099909
Energy: -3.019941531642818
Energy: -3.0627957830942902
Energy: -2.390788388303744
Energy: -3.0627957830954147
Energy: -3.9410927957170467
Energy: -3.1564994656761285
Energy: -2.3779012777727484
Energy: -3.1564994656727574
Energy: -3.9410995422605897
Energy: -3.1564994664185297
Energy: -2.6141444947729737
Energy: -3.164410758042631
Energy: -3.727847952562142
Energy: -3.164410758041508
Energy: -2.6141444947707266
Energy: -3.1644107580403835
Energy: -2.9260833323726487
Energy: -3.683769066056769
Energy: -2.653027401708386
Energy: -3.68376906601859
Energy: -2.926083332356918
Energy: -3.683769066039939
Energy: -3.7249128029517036
Energy: -3.541608663976555
Energy: -2.9892638898235884
Energy: -3.541608663988915
Energy: -3.7249128024429194
Energy: -3.541608663975431
Energy: -2.8538051207039654
Energy: -3.1707560488273403
Energy: -2.604208497583205
Energy: -3.1707560488542823
Energy: -2.853805120723067
Energy: -3.1707560488430713
Energy: -2.3961697809124116
Energy: -3.706439115049835
Energy: -3.0250434817388485
Energy: -3.706439108140198
Energy: -2.39616978105841
Energy: -3.706439132382305
Energy: -2.552146173051495
Energy: -2.7614088101938514
Energy: -3.8265010156019743
Energy: -2.7614088100736724
Energy: -2.5521461730357635
Energy: -2.7614088101556478
Energy: -2.606467933561046
Energy: -3.831754019668165
Energy: -3.8269086355017397
Energy: -3.8317540196198734
Energy: -2.6064679334229135
Energy: -3.831754019551356
Energy: -3.0008728574278414
Energy: -3.241834407529883
Energy: -3.5993470556473732
Energy: -3.241834404728749
Energy: -3.0008728570212586
Energy: -3.2418344113407462
Energy: -2.9987996439576783
Energy: -2.8909151550241563
Energy: -3.4305723391441223
Energy: -2.8909151550207848
Energy: -2.998799644054261
Energy: -2.8909151550230323
Energy: -2.110461224154433
Energy: -3.122155032766699
Energy: -2.7737804917412054
Energy: -3.122155032766699
Energy: -2.110461224154433
Energy: -3.1221550327689465
Energy: -2.51133117627629
Energy: -3.681830735484248
Energy: -2.3055151082501206
Energy: -3.681830735334879
Energy: -2.51133117627629
Energy: -3.6818307354741346
Energy: -1.92110888391306
Energy: -3.164410758041508
Energy: -3.7159830058484626
Energy: -3.1644107580381364
Energy: -1.9211088839141834
Energy: -3.164410758041508
Energy: -2.52010233795441
Energy: -3.077966492258194
Energy: -2.9308947355324624
Energy: -3.0779664922570706
Energy: -2.5201023379532868
Energy: -3.0779664922345975
Energy: -2.605960337064607
Energy: -3.0632676621636605
Energy: -3.01797470049504
Energy: -3.06326766219737
Energy: -2.605960337064607
Energy: -3.0632676622265596
Energy: -2.622265286426794
Energy: -2.919372717611338
Energy: -3.0201117602697245
Energy: -2.919372717611338
Energy: -2.622265286427918
Energy: -2.919372717613585
Energy: -2.789060425913938
Energy: -3.075969814530157
Energy: -2.9987283626550485
Energy: -3.0759698145290337
Energy: -2.789060425492747
Energy: -3.075969814531281
Energy: -2.5874749991208104
Energy: -3.4291496815334095
Energy: -3.0139105385030986
Energy: -3.429149681361567
Energy: -2.5874749991208104
Energy: -3.429149681451434
Energy: -2.390788388303744
Energy: -3.0627957830976618
Energy: -3.0199415316708835
Energy: -3.062795783099909
Energy: -2.390788388298151
Energy: -3.0627957830976618
Energy: -3.941097217116642
Energy: -3.15649946448894
Energy: -2.377901277774996
Energy: -3.156499464962917
Energy: -3.941090430490042
Energy: -3.1564994656401715
Energy: -2.6141444947729737
Energy: -3.1644107580392604
Energy: -3.727847856183326
Energy: -3.1644107580403835
Energy: -2.614144494774097
Energy: -3.1644107580392604
Energy: -2.9260833323771434
Energy: -3.6837690660354445
Energy: -2.653027401708386
Energy: -3.6837690660511506
Energy: -2.926083332368154
Energy: -3.683769066024208

minimum gb energy = -3.9410995422605897 eV
minimum distance =  2.28708602113313 Angstroms
sigma value = 19


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

Energy: -1.6586974853133036
Energy: -1.0349437296887396
Energy: 0.40079439865396904
Energy: -1.0349437297003787
Energy: -1.6586974853162135
Energy: -1.0349437296984387
Energy: -0.36205714684198725
Energy: -2.370825775453108
Energy: -1.476970723352213
Energy: -2.370825775453108
Energy: -0.36205714684295714
Energy: -2.370825775453108
Energy: -2.8136282951662626
Energy: -2.6562638994614733
Energy: -1.477062429269949
Energy: -2.6562638994614733
Energy: -2.8136282952864886
Energy: -2.656263899487661
Energy: -0.3637078049023278
Energy: -2.2885150223310333
Energy: -1.2504960898382211
Energy: -2.2885150218937733
Energy: -0.36370780489165866
Energy: -2.288515021743501
Energy: -0.1627750507182267
Energy: -2.2295801392887986
Energy: -0.5721810013367297
Energy: -2.229580139298498
Energy: -0.1627750507182267
Energy: -2.229580139303348
Energy: -2.2546866768269864
Energy: -2.186427429307243
Energy: -0.8578363434720261
Energy: -2.1864274293053034
Energy: -2.2546866768279568
Energy: -2.1864274293053034
Energy: -0.3473212275144207
Energy: -2.969214994462052
Energy: -0.5706042208748541
Energy: -2.969214994462052
Energy: -0.34732122751539063
Energy: -2.969214994462052
Energy: -0.3396707083529674
Energy: -1.9493814642779261
Energy: -0.8761447969415133
Energy: -1.949381464278896
Energy: -0.3396707083529674
Energy: -1.9493814642779261
Energy: -0.5989682311671906
Energy: -2.1865559877940206
Energy: -1.9402123053661617
Energy: -2.186555987792081
Energy: -0.5989682311662206
Energy: -2.186555987792081
Energy: -0.34574005124863816
Energy: -1.9527904025782876
Energy: -1.4764846784530403
Energy: -1.9527904025773177
Energy: -0.3457400512505781
Energy: -1.9527904025773177
Energy: -0.3789914654959132
Energy: -0.6360721869991622
Energy: -1.4667421535570995
Energy: -0.6360721869972223
Energy: -0.3789914654959132
Energy: -0.6360721869981922
Energy: -1.9087006046631707
Energy: -2.0526609538640423
Energy: -2.740930354791874
Energy: -2.0526609538621026
Energy: -1.908700604659291
Energy: -2.052660953867922
Energy: -1.9110210389744464
Energy: -1.0568339009724155
Energy: -2.739555751223834
Energy: -1.0568339009704977
Energy: -1.9110210389734763
Energy: -1.0568339009714678
Energy: -2.8135290627717686
Energy: -2.742474584561099
Energy: -0.773918954139451
Energy: -2.74247458455334
Energy: -2.8135290627562495
Energy: -2.74247458454946
Energy: -0.16243699912772455
Energy: -2.2880651173691775
Energy: -1.4775130288124751
Energy: -2.2880651173856665
Energy: -0.1624369991267546
Energy: -2.2880651173468918
Energy: -0.3464625473983492
Energy: -2.189275292469535
Energy: -2.7422212440871676
Energy: -2.1892752924811743
Energy: -0.3464625474002891
Energy: -2.189275292470505
Energy: -2.350417239981449
Energy: -2.185463055560629
Energy: -2.73845914246412
Energy: -2.1854630555644867
Energy: -2.350417239981449
Energy: -2.1854630555644867
Energy: -0.14401377854810007
Energy: -2.3156352395522197
Energy: -1.4771029412023355
Energy: -2.3156352395522197
Energy: -0.14401377854810007
Energy: -2.3156352395522197
Energy: -2.3166472630218173
Energy: -2.1856106070076606
Energy: -2.7390875875715497
Energy: -2.1856106070066907
Energy: -2.3166472630227872
Energy: -2.1856106070086305
Energy: -0.34667908158014704
Energy: -2.188566827627894
Energy: -2.742174668256294
Energy: -2.188566827631774
Energy: -0.34667908158014704
Energy: -2.188566827624036
Energy: -0.16256488943992983
Energy: -2.2875728132300543
Energy: -1.477571444565432
Energy: -2.287572814926673
Energy: -0.16256488943992983
Energy: -2.287572813381296
Energy: -2.3370376741493004
Energy: -2.7403891555450626
Energy: -0.7728505489283839
Energy: -2.7403891555450626
Energy: -2.3370376741473606
Energy: -2.7403891555440922
Energy: -1.902864465359203
Energy: -1.4028110621878302
Energy: -2.7398110511079774
Energy: -1.4028110621868601
Energy: -1.9028644653582332
Energy: -1.4028110621839727
Energy: -1.9087378510000974
Energy: -2.052445196432427
Energy: -2.7410337307607913
Energy: -2.0524451963800727
Energy: -1.9087378510000974
Energy: -2.0524451952700162
Energy: -0.40338555380902963
Energy: -0.6362508193805267
Energy: -1.4776835321268766
Energy: -0.6362508193805267
Energy: -0.4033855538080597
Energy: -0.6362508193814966
Energy: -0.34581417365511785
Energy: -1.9523308135308854
Energy: -1.4766199399716686
Energy: -1.9523308135425246
Energy: -0.34581417365511785
Energy: -1.9523308135250659
Energy: -0.5989807025510387
Energy: -2.186926653265892
Energy: -1.9049599208988959
Energy: -2.186926653264922
Energy: -0.5989807025500689
Energy: -2.186926653268802
Energy: -0.3395355030747135
Energy: -1.9494516300469145
Energy: -0.87584303638113
Energy: -1.9494516300469145
Energy: -0.33953550307568336
Energy: -1.9494516300469145
Energy: -0.3467224227346754
Energy: -2.969214994462052
Energy: -0.5705799562161209
Energy: -2.969214994462052
Energy: -0.3467224227327356
Energy: -2.969214994462052

minimum gb energy = -2.969214994462052 eV
minimum distance =  2.46171396092785 Angstroms
sigma value = 101


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

Energy: -0.6616204558202002
Energy: -0.5533264475167404
Energy: -0.7057701970408864
Energy: -0.5533264475158878
Energy: -0.6616204558184949
Energy: -0.5533264475167404
Energy: -0.6109479583445763
Energy: -0.06981313002908109
Energy: -0.8266334332723466
Energy: -0.06981313002908109
Energy: -0.6109479583445763
Energy: -0.06981313002908109
Energy: -0.6265166572877837
Energy: -0.8153251065078533
Energy: -0.5711036523828705
Energy: -0.8153251065189373
Energy: -0.6265166572766998
Energy: -0.8153251065104111
Energy: -0.7757394722212775
Energy: -0.8709977743898503
Energy: -1.0242138015176698
Energy: -0.8709943965185885
Energy: -0.7757394722238352
Energy: -0.8709940211269582
Energy: -0.6039229105447445
Energy: -1.1174908569002417
Energy: -0.9423539607974543
Energy: -1.117490856878074
Energy: -0.6039229105447445
Energy: -1.117490856878074
Energy: -1.2004925498126775
Energy: -0.592200098831707
Energy: -0.29915415648551497
Energy: -0.5922000988308542
Energy: -1.20049254981353
Energy: -0.5922000988308542
Energy: -0.8723870700403472
Energy: -1.310288639690312
Energy: -0.6140503314389346
Energy: -1.310288639692017
Energy: -0.8723870700411998
Energy: -1.310288639690312
Energy: -0.9418911767551459
Energy: -1.3085565196912312
Energy: -0.5198666680765472
Energy: -1.3085565196920839
Energy: -0.9418911767568511
Energy: -1.3085565196903788
Energy: -0.6274021165694957
Energy: -0.5929299730377231
Energy: -0.4844238705985337
Energy: -0.5929299730377231
Energy: -0.6274021165686432
Energy: -0.5929299730385756
Energy: -0.5894812567693686
Energy: -1.0120113926227559
Energy: -0.5892855724220754
Energy: -1.0120113926236085
Energy: -0.5894812567710738
Energy: -1.0120113926363978
Energy: -1.1154971851436513
Energy: -0.9250016300864826
Energy: -0.5454729187170859
Energy: -0.9250016300898931
Energy: -1.115497185144504
Energy: -0.9250016300881878
Energy: -0.8240476158444187
Energy: -0.6678603981951204
Energy: -0.3170536721180506
Energy: -0.6678603981959732
Energy: -0.8240476158469764
Energy: -0.6678603981951204
Energy: -0.5711156156337348
Energy: -1.0467132555701621
Energy: -0.4582857234982367
Energy: -1.04671325624857
Energy: -0.5711156156397031
Energy: -1.0467132552676401
Energy: -0.6193143688307727
Energy: -0.5646245516669194
Energy: -0.8268950517489685
Energy: -0.5646245516703298
Energy: -0.6193143688273623
Energy: -0.5646245516686246
Energy: -0.6333952280752306
Energy: -0.6741305083463504
Energy: -0.6112505194019017
Energy: -0.6741305083523186
Energy: -0.6333952280752306
Energy: -0.674130508353985
Energy: -0.4434875232809298
Energy: -1.0179383339133132
Energy: -0.4746358584856874
Energy: -1.0179383339167236
Energy: -0.4434875232809298
Energy: -1.0179383339116077
Energy: -0.6042022344401798
Energy: -0.4080145985062839
Energy: -0.6278774847588716
Energy: -0.4080145985062839
Energy: -0.6042022344401798
Energy: -0.4080145985062839
Energy: -0.560274858003277
Energy: -0.49271610544358513
Energy: -0.600202026927277
Energy: -0.49271610544358513
Energy: -0.560274858010059
Energy: -0.4927161054410273
Energy: -0.4870455858877793
Energy: -0.5911669294232791
Energy: -1.1153553556053841
Energy: -0.5911669294232791
Energy: -0.48704558587076585
Energy: -0.5911669294215739
Energy: -0.6038147312142754
Energy: -0.7606502433929406
Energy: -1.0214348472894144
Energy: -0.7606502433929406
Energy: -0.6038147312125702
Energy: -0.7606502433929406
Energy: -0.6886183230915683
Energy: -0.9152769759395993
Energy: -0.9414210130146301
Energy: -0.9152769759395993
Energy: -0.6886183230762214
Energy: -0.915276975937894
Energy: -1.5063055021476628
Energy: -1.2297835875341796
Energy: -0.25075855792323165
Energy: -1.229783587546969
Energy: -1.5063055021459577
Energy: -1.229783587544411
Energy: -0.6852082606177758
Energy: -1.0282055459404045
Energy: -0.5944811219157238
Energy: -1.0282055459412571
Energy: -0.6852082606186285
Energy: -1.0282055459318784
Energy: -0.7680171347664044
Energy: -0.7351901507384233
Energy: -1.1294459400654995
Energy: -0.7352011926221478
Energy: -0.7680171347664044
Energy: -0.7352944159469711
Energy: -0.3717692070939175
Energy: -0.4873230098471786
Energy: -0.5893857190486228
Energy: -0.4873230098471786
Energy: -0.37176920709562267
Energy: -0.4873230098471786
Energy: -0.23248501255719087
Energy: -1.348279717270141
Energy: -0.44373686037486854
Energy: -1.348279717270994
Energy: -0.23248501255889611
Energy: -1.3482797172718461
Energy: -0.8229280136979925
Energy: -0.7162841774126684
Energy: -0.7198270761846087
Energy: -0.7162841774118157
Energy: -0.8229280136945821
Energy: -0.7162841774126684
Energy: -0.6092002706742922
Energy: -0.4063985453181841
Energy: -0.6329936532359197
Energy: -0.40639854531733144
Energy: -0.6092002706742922
Energy: -0.40639854531733144
Energy: -1.2843579844467898
Energy: -1.0086638941835078
Energy: -0.4431498459433152
Energy: -1.008663894185213
Energy: -1.2843579844476423
Energy: -1.0086638941835078
Energy: -0.6108808860233377
Energy: -0.9823230294777869
Energy: -0.5893261938080305
Energy: -0.9823230294786396
Energy: -0.6108808860224851
Energy: -0.9823230294786396
Energy: -0.691826933206528
Energy: -0.6952596319557959
Energy: -0.6163314533033243
Energy: -0.6952596319404489
Energy: -0.6918269332090858
Energy: -0.6952596319353332
Energy: -0.992075611960243
Energy: -0.8146109789679342
Energy: -0.30106568631250463
Energy: -0.8146109789713446
Energy: -0.9920756119610957
Energy: -0.8146109789670816
Energy: -0.3197810165616159
Energy: -0.7905669072264244
Energy: -1.01111268010196
Energy: -0.790566907227277
Energy: -0.3197810165650263
Energy: -0.790566907227277

minimum gb energy = -1.5063055021476628 eV
minimum distance =  2.34337638421161 Angstroms
sigma value = 33


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

Energy: 0.015035144699026658
Energy: -4.07247303095807
Energy: -4.417781397031797
Energy: -4.078150186159087
Energy: 0.01503514469831825
Energy: -4.06595800822757
Energy: 0.015306655693203712
Energy: 0.13851855446899305
Energy: 0.015306655693872762
Energy: 0.13851855446899305
Energy: 0.015306655693203712
Energy: 0.13851855446690717
Energy: -4.4177813970311295
Energy: -4.074910191802206
Energy: 0.01503514469831825
Energy: -4.0659658968032675
Energy: -4.417781397031797
Energy: -4.066027503527053
Energy: 0.015306655693872762
Energy: 0.13851855446828462
Energy: 0.01530665569458117
Energy: 0.13851855446899305
Energy: 0.01530665569458117
Energy: 0.13851855446828462

minimum gb energy = -4.417781397031797 eV
minimum distance =  2.45611236184201 Angstroms
sigma value = 1