Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535584409671
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017405064214099618
Energy: 0.01763466354742462
Energy: 9.090624845904378
Energy: 0.01763466354742462
Energy: 0.01763466354742462
Energy: 0.018286793218643925
Energy: 1.4263150546686396
Energy: 0.018286793218643925
Energy: 9.110283919432115
Energy: 1.4263150546686396
Energy: 1.4262770375691767
Energy: 1.4263150546686396
Energy: 0.01763466354742462
Energy: 0.018286793218643925
Energy: 1.4263150546694212
Energy: 0.018286793218643925

minimum gb energy = 0.017405064214099618 eV
minimum distance =  2.71936009097308 Angstroms
sigma value = 1


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

Energy: 2.0971310903370153
Energy: 1.8365160050550253
Energy: 11.27940088667535
Energy: 1.8365160050550253
Energy: 2.2123808637918354
Energy: 1.68863261515699
Energy: 1.5890399938078494
Energy: 1.68863261515699
Energy: 2.4659934165754676
Energy: 1.5210956130931679
Energy: 1.4704426319740234
Energy: 1.5210956130931679
Energy: 1.9809115414640421
Energy: 1.735303871601942
Energy: 1.5208705566870246
Energy: 1.735303871601942
Energy: 1.998675690953448
Energy: 1.7375499167552715
Energy: 2.0444568667487033
Energy: 1.737549916756276
Energy: 2.1691575315967095
Energy: 1.6771082026460093
Energy: 1.455254960069755
Energy: 1.6771082026470132
Energy: 1.704610296516561
Energy: 1.727359189116215
Energy: 1.4551454870920466
Energy: 1.7273591891172189
Energy: 1.458197349408512
Energy: 1.6171140103872244
Energy: 2.0034122192047747
Energy: 1.6171140103872244
Energy: 1.7039340991714633
Energy: 1.7256746430097911
Energy: 1.9347375109392924
Energy: 1.725674643008787
Energy: 2.289474755498791
Energy: 1.7632386835684677
Energy: 1.7257720608676508
Energy: 1.7632386835694718
Energy: 1.4754192109091733
Energy: 1.7350021749075804
Energy: 1.8405397297733033
Energy: 1.7350021749085842
Energy: 1.4756216917281557
Energy: 1.4753807574095885
Energy: 2.757067014606801
Energy: 1.4753807574085844
Energy: 1.823214635714367
Energy: 1.740425970609318
Energy: 1.998448238943842
Energy: 1.740425970609318
Energy: 7.2051586152560585
Energy: 1.7344204618837433
Energy: 2.008899788336836
Energy: 1.7344204618817352
Energy: 1.5107624181381156
Energy: 1.6796585275743474
Energy: 2.1635122790526604
Energy: 1.679658527573343
Energy: 1.5106688112717166
Energy: 1.6799203665189895
Energy: 2.1713456754632547
Energy: 1.6799203665179854
Energy: 7.724455877039163
Energy: 1.7339584246691377
Energy: 2.0115275719254155
Energy: 1.7339584246701416
Energy: 1.8245055719934251
Energy: 1.7365629348468128
Energy: 2.0042130390765647
Energy: 1.7365629348458087
Energy: 1.4813743098149366
Energy: 1.475312762407655
Energy: 2.88329400343091
Energy: 1.4753127624056466
Energy: 1.4755643514697945
Energy: 1.7362245408291244
Energy: 1.725201208944903
Energy: 1.7362245408301282
Energy: 2.3197738741982077
Energy: 1.722277648050759
Energy: 1.712799787252948
Energy: 1.7222776480497546
Energy: 1.714531812804861
Energy: 1.6846623041059123
Energy: 1.9347727212732
Energy: 1.684662304103904
Energy: 1.5937055036703311
Energy: 1.615162483443404
Energy: 1.757758952072179
Energy: 1.6151624834424
Energy: 1.9566312332485365
Energy: 1.721655145654995
Energy: 1.454793467701839
Energy: 1.721655145654995
Energy: 2.1693533698606666
Energy: 1.6767613377434918
Energy: 1.4551091440201258
Energy: 1.6767613377434918
Energy: 1.9983003717982486
Energy: 1.7339519159287484
Energy: 7.779895920999114
Energy: 1.7339519159287484
Energy: 1.9840757606374255
Energy: 1.7341626083861899
Energy: 1.5211928479869943
Energy: 1.7341626083861899
Energy: 2.4669941580855164
Energy: 1.5209954771337775
Energy: 1.4713508236755848
Energy: 1.5209954771327736
Energy: 2.2100968192798667
Energy: 1.6877651162596417
Energy: 1.5893697193484928
Energy: 1.6877651162636578
Energy: 2.076721541049161
Energy: 1.7722260473193343
Energy: 13.474567585377708
Energy: 1.7722260473203384
Energy: 2.1826497027658553
Energy: 1.6882255518325646
Energy: 1.5889977444609207
Energy: 1.6882255518325646
Energy: 2.169049644665074
Energy: 1.634395048086262
Energy: 1.472100331665532
Energy: 1.634395048087266
Energy: 1.998535528489945
Energy: 1.7373657872910748
Energy: 1.5212283162273506
Energy: 1.737365787292079

minimum gb energy = 1.454793467701839 eV
minimum distance =  2.47517075640989 Angstroms
sigma value = 1


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

Energy: 2.2041234863405603
Energy: 1.8507581197036627
Energy: 9.384202584301555
Energy: 1.850758119702518
Energy: 2.0426305732826324
Energy: 1.7936359167590188
Energy: 1.8340958426856455
Energy: 1.7936359167601637
Energy: 2.0642856147671296
Energy: 1.5356463663798834
Energy: 1.5352485285556572
Energy: 1.5356463663798834
Energy: 1.4945880877978481
Energy: 1.796826399591593
Energy: 1.6727037548688903
Energy: 1.796826399591593
Energy: 1.4947317876595987
Energy: 1.7961603545324916
Energy: 2.3226461730865564
Energy: 1.7961603545324916
Energy: 2.0641288724423754
Energy: 1.512029857667374
Energy: 1.5113511938771806
Energy: 1.5120298576662294
Energy: 1.512495953490425
Energy: 1.7926630575321878
Energy: 1.5112790946195653
Energy: 1.7926630575321878
Energy: 1.5114444682099948
Energy: 1.5116661218099603
Energy: 2.2310277162710825
Energy: 1.5116661218111052
Energy: 1.5120430689407043
Energy: 1.6637965774193042
Energy: 2.067435728334493
Energy: 1.6637965774181593
Energy: 14.066797222368436
Energy: 1.4949832038965325
Energy: 1.4946802975915916
Energy: 1.4949832038976771
Energy: 1.5354368790856487
Energy: 1.7906889412410554
Energy: 2.0675267306849356
Energy: 1.7906889412410554
Energy: 1.6272389197054773
Energy: 1.670991443532942
Energy: 2.6572032586428675
Energy: 1.6709914435317974
Energy: 13.918602529123596
Energy: 1.7966855682697773
Energy: 2.1368034286635917
Energy: 1.7966855682697773
Energy: 13.917494364350816
Energy: 1.7967020068105615
Energy: 2.137755676342489
Energy: 1.7967020068105615
Energy: 1.6269152229922548
Energy: 1.6709791598318942
Energy: 2.656279345674833
Energy: 1.6709791598318942
Energy: 1.53539946264505
Energy: 1.7906399916799165
Energy: 2.0675370598429965
Energy: 1.7906399916799165
Energy: 14.066208813042905
Energy: 1.494968956948152
Energy: 1.494684252423944
Energy: 1.4949689569492968
Energy: 1.512264454602034
Energy: 1.6637025240734353
Energy: 2.0676674564398514
Energy: 1.6637025240722907
Energy: 1.5114355198951959
Energy: 1.5115905996302266
Energy: 2.2310277162573455
Energy: 1.5115905996302266
Energy: 1.512317395686167
Energy: 1.7926142541010275
Energy: 1.5114066156954824
Energy: 1.7926142541010275
Energy: 2.0636509578641196
Energy: 1.5122302244037402
Energy: 1.5115889341375282
Energy: 1.5122302244025956
Energy: 1.4946955262094554
Energy: 1.7909179664656762
Energy: 2.3226461731105963
Energy: 1.7909179664656762
Energy: 1.4946109953861781
Energy: 1.7965528272290363
Energy: 1.6727037548677457
Energy: 1.7965528272290363
Energy: 2.0641737376798637
Energy: 1.5356318016168415
Energy: 1.5353261895796504
Energy: 1.5356318016168415
Energy: 2.042694836503003
Energy: 1.7938979761971854
Energy: 1.834095842687935
Energy: 1.7938979761983302
Energy: 2.204123486341705
Energy: 1.8507581197036627
Energy: 9.274754978895642
Energy: 1.850758119702518
Energy: 2.042630573283777
Energy: 1.7936359167590188
Energy: 1.8340958426856455
Energy: 1.7936359167578741
Energy: 2.0642856147671296
Energy: 1.5356463663798834
Energy: 1.5352485285556572
Energy: 1.5356463663798834
Energy: 1.494588087798993
Energy: 1.796826399591593
Energy: 1.6727037548688903
Energy: 1.796826399591593

minimum gb energy = 1.4945880877978481 eV
minimum distance =  2.48269408400632 Angstroms
sigma value = 25


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

Energy: 2.0366909051816395
Energy: 2.036724012382438
Energy: 6.972524960493644
Energy: 2.036724012382438
Energy: 2.2686784767705603
Energy: 1.769824277338881
Energy: 1.7985514149671618
Energy: 1.769824277338881
Energy: 2.265969322344779
Energy: 1.6334536973850982
Energy: 1.6067435687645995
Energy: 1.6334536973850982
Energy: 1.972379014327453
Energy: 1.80240776702346
Energy: 1.7990512365457314
Energy: 1.80240776702346
Energy: 1.9528929041018168
Energy: 1.8024910590959422
Energy: 1.9986869360637989
Energy: 1.802491059097273
Energy: 2.2484476144263312
Energy: 1.5790961941038641
Energy: 1.578886992798732
Energy: 1.5790961941038641
Energy: 1.6170493079151325
Energy: 1.9213688392883008
Energy: 1.5789879155354134
Energy: 1.9213688392883008
Energy: 1.575984748050113
Energy: 1.6169497485995936
Energy: 2.6348127115536806
Energy: 1.6169497485995936
Energy: 1.720747337155883
Energy: 1.865292169865943
Energy: 1.9646106281970086
Energy: 1.8652921698646123
Energy: 9.745030203555213
Energy: 1.9128959555446161
Energy: 1.9839816879903671
Energy: 1.91289595555127
Energy: 1.6863833875267615
Energy: 1.8652201780416806
Energy: 2.2266740156327245
Energy: 1.8652201780416806
Energy: 1.698776571947423
Energy: 1.6175985496345044
Energy: 2.2225953809445422
Energy: 1.6175985496358352
Energy: 9.051926970405923
Energy: 1.8269252434677172
Energy: 1.9668536961938254
Energy: 1.826925243469048
Energy: 1.7218702645336288
Energy: 1.8654466524627313
Energy: 1.955498779390215
Energy: 1.8654466524640623
Energy: 1.584794712002519
Energy: 1.617437375860988
Energy: 2.6009673950128467
Energy: 1.617437375860988
Energy: 1.6166795341512874
Energy: 1.803161284227317
Energy: 1.5794330633668547
Energy: 1.803161284227317
Energy: 2.670531795601046
Energy: 1.5790578650292988
Energy: 1.5788419377035197
Energy: 1.5790578650306297
Energy: 1.9286656574808683
Energy: 1.8027349187200905
Energy: 1.9977861012214921
Energy: 1.8027349187200905
Energy: 1.9699674240532417
Energy: 1.8024263944913843
Energy: 1.7991066456028117
Energy: 1.8024263944900536
Energy: 1.9297660248860122
Energy: 1.5793648657463384
Energy: 1.608649208056191
Energy: 1.5793648657463384
Energy: 2.278111815309297
Energy: 1.7701859522353356
Energy: 1.6340761385558182
Energy: 1.7701859522353356
Energy: 2.0272797246499894
Energy: 1.9518781605442506
Energy: 8.327921818848415
Energy: 1.9518781605442506
Energy: 2.265566972733145
Energy: 1.895836012470138
Energy: 1.7993813534612373
Energy: 1.8958360124688376
Energy: 2.4090612944173992
Energy: 1.6334802549837535
Energy: 1.6334530231487865
Energy: 1.6334802549824226
Energy: 1.953892588316128
Energy: 1.8025306183906054
Energy: 1.6341161939670867
Energy: 1.8025306183906054

minimum gb energy = 1.575984748050113 eV
minimum distance =  2.43198442839819 Angstroms
sigma value = 9


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

Energy: 1.6159793489245013
Energy: 1.6167476343362115
Energy: 11.060520539315172
Energy: 1.6167476343362115
Energy: 1.6155084680229364
Energy: 1.8345495272270984
Energy: 1.6209073515441978
Energy: 1.8345495272270984
Energy: 1.8026816264536751
Energy: 1.6794667169439912
Energy: 1.8029573597555333
Energy: 1.6794667169439912
Energy: 1.6199996451958065
Energy: 1.6199904835897936
Energy: 1.6220706484515208
Energy: 1.6199904835897936
Energy: 1.6204011142636805
Energy: 1.6212474740815797
Energy: 1.8013022165988983
Energy: 1.6212474740815797
Energy: 2.8130408286769453
Energy: 1.6201148242564734
Energy: 1.6196224171581666
Energy: 1.6201148242564734
Energy: 1.8027181506748737
Energy: 1.6213481036624728
Energy: 1.6203485055819298
Energy: 1.6213481036624728
Energy: 1.80257914787493
Energy: 1.8014397383820928
Energy: 2.399978086781527
Energy: 1.8014397383820928
Energy: 17.46170526104451
Energy: 1.8347558831463409
Energy: 1.615572427975977
Energy: 1.8347558831479283
Energy: 17.501321402103095
Energy: 1.6156528919195619
Energy: 1.6156240731036136
Energy: 1.6156528919195619
Energy: 1.8026809693841277
Energy: 1.8343159413462287
Energy: 2.3995500880348937
Energy: 1.8343159413462287
Energy: 1.6789558819459194
Energy: 1.854096903031541
Energy: 1.6208238108920772
Energy: 1.854096903031541
Energy: 2.813050960011285
Energy: 1.6203368493033565
Energy: 1.6197567672436004
Energy: 1.6203368493033565
Energy: 1.6200651244155042
Energy: 1.7264283298223277
Energy: 1.620603105149316
Energy: 1.7264283298223277
Energy: 1.6197771849048457
Energy: 1.6202385567573108
Energy: 2.813050960011285
Energy: 1.6202385567573108
Energy: 1.6201605685700537
Energy: 1.854389314188218
Energy: 1.6790173003967006
Energy: 1.8543893141866308
Energy: 2.3995988423954833
Energy: 1.8343799759424944
Energy: 1.8027091867812843
Energy: 1.8343799759409067
Energy: 1.6156566956740679
Energy: 1.6157194212883645
Energy: 17.453123196825953
Energy: 1.6157194212883645
Energy: 1.6155357159646364
Energy: 1.8352521433852442
Energy: 17.453800433792736
Energy: 1.8352521433852442
Energy: 2.4000288519826998
Energy: 1.8014745075933074
Energy: 1.80285590593227
Energy: 1.8014745075933074
Energy: 1.6204269382611445
Energy: 1.6212945088416815
Energy: 1.8025999277127371
Energy: 1.6212945088416815

minimum gb energy = 1.6155084680229364 eV
minimum distance =  2.48400291445484 Angstroms
sigma value = 25


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

Energy: 1.7800480107959675
Energy: 2.283389586549018
Energy: 8.523419788297815
Energy: 2.283389586549018
Energy: 2.2725381691167947
Energy: 1.8142983058694677
Energy: 1.8077713731380327
Energy: 1.8142983058694677
Energy: 2.081653125120578
Energy: 1.7459435053962364
Energy: 1.7490733304942618
Energy: 1.7459435053942733
Energy: 1.6784300574428255
Energy: 1.7616188813284246
Energy: 1.745478084007187
Energy: 1.7616188813284246
Energy: 1.9181765494594618
Energy: 1.874881012068751
Energy: 2.3556499102918056
Energy: 1.874881012068751
Energy: 12.369730352810743
Energy: 1.7092764449344793
Energy: 1.7140248381470573
Energy: 1.7092764449344793
Energy: 1.9425120792547927
Energy: 1.7618964881433412
Energy: 1.7096648416014582
Energy: 1.761896488410211
Energy: 1.9273288070265266
Energy: 1.846708573449948
Energy: 2.356647245098718
Energy: 1.846708573449948
Energy: 1.9424790947021953
Energy: 1.7102034159386514
Energy: 1.7090190971466106
Energy: 1.7102034159386514
Energy: 2.0669844202061793
Energy: 1.7110791141139694
Energy: 1.7102339761480052
Energy: 1.7110791141139694
Energy: 1.7349134061874572
Energy: 1.7614847587495832
Energy: 2.307370373906783
Energy: 1.7614847587495832
Energy: 1.7597618446463448
Energy: 1.7099726146584389
Energy: 1.7455046327794648
Energy: 1.7099726146584389
Energy: 2.1574360677791433
Energy: 1.7459997890068089
Energy: 1.7488412148098464
Energy: 1.7459997890068089
Energy: 2.2648798743875687
Energy: 1.9067853878198413
Energy: 12.469781503190466
Energy: 1.9067853878198413
Energy: 2.3741077417412133
Energy: 2.0531781628338037
Energy: 12.522629456283909
Energy: 2.0531781628338037
Energy: 2.2863522972763928
Energy: 1.6970379268715006
Energy: 1.7452937100602648
Energy: 1.6970379268911333
Energy: 1.7602204065380058
Energy: 1.709721226855968
Energy: 1.7490814293286194
Energy: 1.7097212268540045

minimum gb energy = 1.6784300574428255 eV
minimum distance =  2.46078556785732 Angstroms
sigma value = 17


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

Energy: 2.109719268632172
Energy: 2.086114585252047
Energy: 11.744492697441244
Energy: 2.086114585252047
Energy: 2.1526386939310864
Energy: 1.8076718427028597
Energy: 1.8594071340401581
Energy: 1.8076718427028597
Energy: 2.0071630778547864
Energy: 1.736567508417517
Energy: 1.696279428881158
Energy: 1.736567508417517
Energy: 1.7189336215999576
Energy: 1.7186599351588707
Energy: 1.859685379309226
Energy: 1.7186599351599827
Energy: 1.752471623704322
Energy: 1.7684928968995202
Energy: 2.09129062032269
Energy: 1.7684928969006322
Energy: 9.15542208626751
Energy: 1.8861475802953622
Energy: 1.765592791298236
Energy: 1.8861475802686767
Energy: 2.064857918368043
Energy: 1.71942138762795
Energy: 2.05002097133271
Energy: 1.7194213876401812
Energy: 1.7705996027388513
Energy: 1.699304273257268
Energy: 2.182927598162159
Energy: 1.699304273255044
Energy: 1.7701420270863792
Energy: 1.748269352616145
Energy: 1.6971158108276896
Energy: 1.7482693526172566
Energy: 2.1830596222725647
Energy: 1.6761804632428896
Energy: 1.8543442686176037
Energy: 1.6761804632562323
Energy: 1.7446844820239786
Energy: 1.740919199747458
Energy: 7.583828523648382
Energy: 1.740919199747458
Energy: 1.7397112673993187
Energy: 1.7468318959281939
Energy: 1.9591453753867927
Energy: 1.7468318959281939
Energy: 2.256714873462374
Energy: 1.7638156632674762
Energy: 1.8012578626839773
Energy: 1.7638156632663644
Energy: 1.754095338123897
Energy: 1.7452116749034277
Energy: 1.9001561163076872
Energy: 1.7452116749045394
Energy: 1.7381598890078631
Energy: 1.8563650795850188
Energy: 2.3057969129197136
Energy: 1.8563650795861308
Energy: 2.188253515485785
Energy: 1.749466792748325
Energy: 1.6939879661679293
Energy: 1.749466792748325
Energy: 1.788464955233034
Energy: 1.8439868069761558
Energy: 1.74920610281564
Energy: 1.8439868069761558
Energy: 1.7725152133400877
Energy: 1.7885037463662308
Energy: 2.2694782452098536
Energy: 1.7885037463673428
Energy: 8.261663422214317
Energy: 1.6745156100976466
Energy: 1.9160055465904733
Energy: 1.6745156100987586
Energy: 2.4038896567460455
Energy: 1.8425847740212302
Energy: 2.0585345021074346
Energy: 1.8425847740222918
Energy: 1.6994214898088176
Energy: 1.7879886217125627
Energy: 2.139767499439269
Energy: 1.7879886217114507
Energy: 1.698642443628713
Energy: 1.8050195245414347
Energy: 1.735887161826497
Energy: 1.8050195245425467
Energy: 2.115917578859347
Energy: 1.7360916565124713
Energy: 1.735889787367547
Energy: 1.7360916565135829
Energy: 2.1062102044576885
Energy: 1.7183822808151474
Energy: 8.560276033967869
Energy: 1.7183822808240428
Energy: 2.1182940309981086
Energy: 1.7166688655857216
Energy: 8.404243171383015
Energy: 1.7166688655779383
Energy: 2.114184650692405
Energy: 1.7359967517694939
Energy: 1.7362106768468648
Energy: 1.7359967517706054
Energy: 1.6974728118349902
Energy: 1.750436010745116
Energy: 1.7360658269573368
Energy: 1.7504360107562351
Energy: 1.6990781912065056
Energy: 1.698663106935178
Energy: 2.155433426089395
Energy: 1.698663106934066
Energy: 2.155945016425701
Energy: 1.8590442306774653
Energy: 2.0641310314898913
Energy: 1.8590442306774653
Energy: 8.451496273281268
Energy: 1.6745794013904047
Energy: 1.7642374473685256
Energy: 1.6745794013904047

minimum gb energy = 1.6745156100976466 eV
minimum distance =  2.47317080634381 Angstroms
sigma value = 53


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

Energy: 1.5097390669989748
Energy: 1.5395721309127268
Energy: 14.787475303317102
Energy: 1.5395721309127268
Energy: 1.8655000910794468
Energy: 1.5872934093218962
Energy: 1.8653471331140985
Energy: 1.5872934093218962
Energy: 2.537446047567811
Energy: 1.8901381314345531
Energy: 2.1490642128603867
Energy: 1.8901381314345531
Energy: 2.1489894880112095
Energy: 1.8901936383706794
Energy: 2.537573505321871
Energy: 1.8901936383706794
Energy: 1.8653644450382714
Energy: 1.5875000486449955
Energy: 1.8655935556238765
Energy: 1.5875000486449955
Energy: 6.442572804759256
Energy: 1.5395721309127268
Energy: 1.5097390669989748
Energy: 1.5395721309127268
Energy: 1.8653471331140985
Energy: 1.5872934093218962
Energy: 1.8655000910794468
Energy: 1.5872934093218962
Energy: 2.1490642128603867
Energy: 1.8901381314345531
Energy: 2.537446047567811
Energy: 1.8901381314345531
Energy: 2.537573505321871
Energy: 1.8901936383706794
Energy: 2.1489894880112095
Energy: 1.8901936383706794
Energy: 1.8655935556238765
Energy: 1.5875000486449955
Energy: 1.8653644450382714
Energy: 1.5875000486449955
Energy: 1.5097390669989748
Energy: 1.5395721309127268
Energy: 14.79269268700616
Energy: 1.5395721309127268
Energy: 1.8655000910794468
Energy: 1.5872934093218962
Energy: 1.8653471331140985
Energy: 1.5872934093218962
Energy: 2.537446047567811
Energy: 1.8901381314345531
Energy: 2.1490642128603867
Energy: 1.8901381314345531

minimum gb energy = 1.5097390669989748 eV
minimum distance =  2.45793624515535 Angstroms
sigma value = 9


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

Energy: 1.995094990757785
Energy: 2.0080951514184315
Energy: 10.408198489358305
Energy: 2.0080951514203265
Energy: 2.294894912300636
Energy: 2.0126160558426682
Energy: 2.2210170277083203
Energy: 2.012616055844563
Energy: 1.8781703367713254
Energy: 1.7699422786967824
Energy: 1.7687133173407863
Energy: 1.7699422786967824
Energy: 1.8517868738999612
Energy: 1.7984113962589936
Energy: 1.9862011122453411
Energy: 1.798411396259941
Energy: 2.007413921657176
Energy: 1.7635133683278452
Energy: 2.2484296536527903
Energy: 1.763513368326898
Energy: 7.841037828398608
Energy: 1.8982487403846364
Energy: 1.9297899493481372
Energy: 1.8982487403836887
Energy: 1.925275415266136
Energy: 1.8401364018843072
Energy: 2.3770844843500103
Energy: 1.8401364018852544
Energy: 1.7626067958230556
Energy: 1.8294053520661178
Energy: 1.9452988348365359
Energy: 1.8294053520680127
Energy: 2.0487599432085566
Energy: 1.7694469447393615
Energy: 1.878992656683749
Energy: 1.7694469447393615
Energy: 1.9126047734309737
Energy: 1.7723353871548804
Energy: 2.0500137090234536
Energy: 1.7723353871548804
Energy: 1.800570243924081
Energy: 1.8856960147414472
Energy: 7.717036434387179
Energy: 1.8856960147414472
Energy: 2.427976975360918
Energy: 1.7804867026096403
Energy: 1.8788558732940566
Energy: 1.7804867026077456
Energy: 1.9213731974385013
Energy: 1.8371748352353496
Energy: 1.789783472011452
Energy: 1.837174835236297
Energy: 1.9627879509877701
Energy: 1.8583102954820199
Energy: 1.926280068968615
Energy: 1.8583102954810726
Energy: 2.0108818021894312
Energy: 1.8343467155881905
Energy: 1.7833533042762042
Energy: 1.8343467155900854
Energy: 2.323933973365566
Energy: 1.821022392074495
Energy: 1.7960630028475049
Energy: 1.821022392073548
Energy: 1.916278290882784
Energy: 1.8880813688282034
Energy: 2.480400313523316
Energy: 1.8880813688282034
Energy: 1.8062749428697384
Energy: 1.8778032363786064
Energy: 7.24787567448214
Energy: 1.8778032363805015
Energy: 2.307040492648041
Energy: 1.8191926329389856
Energy: 1.9495544178434594
Energy: 1.819192632939933
Energy: 1.7955342533739254
Energy: 1.8259508221098468
Energy: 1.8843437890315875
Energy: 1.8259508221107943
Energy: 1.8420712127478995
Energy: 1.832417928043248
Energy: 2.2540063624182665
Energy: 1.8324179280470378
Energy: 2.384736365093216
Energy: 1.7639774356686941
Energy: 1.9355971538708117
Energy: 1.7639774356649047
Energy: 7.391072930934379
Energy: 1.8926540921808706
Energy: 1.921672049112219
Energy: 1.8926540921799229
Energy: 1.8891307766747196
Energy: 1.854010677401052
Energy: 2.3996744975916386
Energy: 1.854010677401052
Energy: 1.8657380548015563
Energy: 1.8322033275984777
Energy: 1.7702867476463315
Energy: 1.8322033275984777
Energy: 2.305231401588837
Energy: 1.9290591145325138
Energy: 1.8585637488344293
Energy: 1.9290591145325138
Energy: 2.090047768673727
Energy: 1.7784388309662262
Energy: 7.838947478060409
Energy: 1.7784388309577
Energy: 1.9540985628048695
Energy: 1.7813042498584835
Energy: 7.662407361720123
Energy: 1.781304249859431
Energy: 2.271829428960339
Energy: 1.9285602790660077
Energy: 1.8536131122378448
Energy: 1.9285602790669552
Energy: 1.8518516353104457
Energy: 1.864311992654925
Energy: 1.769617700152298
Energy: 1.8643119926539775
Energy: 1.8865316990880192
Energy: 1.8761776880871115
Energy: 2.268323926326448
Energy: 1.8761776880852163
Energy: 7.398036437743077
Energy: 1.7684293147147876
Energy: 1.924672922678516
Energy: 1.7684293147157348
Energy: 2.480366745214999
Energy: 1.7633081653275477
Energy: 1.9291414134478049
Energy: 1.763308165182636
Energy: 1.8423210223769289
Energy: 1.8989566600366514
Energy: 2.5231284923392483
Energy: 1.8989566600366514
Energy: 1.8151339195374143
Energy: 1.8282410558916742
Energy: 1.8760820404853724
Energy: 1.8282410558897795

minimum gb energy = 1.7626067958230556 eV
minimum distance =  2.42439096706973 Angstroms
sigma value = 73


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

Energy: 2.107629626596976
Energy: 1.9760376806803466
Energy: 7.1352211789984885
Energy: 1.9760376806803466
Energy: 2.196308743910658
Energy: 1.9074806498011687
Energy: 2.1983452903475884
Energy: 1.9074806498011687
Energy: 1.9773148678501689
Energy: 1.8832258248228695
Energy: 1.8082689001945929
Energy: 1.8832258248228695
Energy: 1.8587187533241287
Energy: 1.82221219688462
Energy: 2.1284497625006358
Energy: 1.8222121968861231
Energy: 2.200065498842424
Energy: 1.8180652801517339
Energy: 2.0089774674235445
Energy: 1.8180652801517339
Energy: 10.197949333303448
Energy: 1.9429473549324021
Energy: 1.843143955269689
Energy: 1.9429473549324021
Energy: 1.9488302145543772
Energy: 1.8716368406556712
Energy: 2.2323806127767107
Energy: 1.8716368406556712
Energy: 1.8253250707204383
Energy: 1.822874639596249
Energy: 1.9875607074623054
Energy: 1.8228746277926995
Energy: 2.2968531984446487
Energy: 1.8840395082468697
Energy: 2.120507525114275
Energy: 1.8840395082483727
Energy: 1.8191306382589563
Energy: 1.9120087666897956
Energy: 2.088263422860534
Energy: 1.9120087666897956
Energy: 1.817687427909797
Energy: 1.825808270723553
Energy: 2.7584570231019114
Energy: 1.825808270723553
Energy: 2.368401976996414
Energy: 1.949982932907519
Energy: 2.0092152472233256
Energy: 1.949982932907519
Energy: 9.901222786034086
Energy: 1.943194409110762
Energy: 1.8431471804605166
Energy: 1.943194409109259
Energy: 1.988178761240351
Energy: 1.8799583904813308
Energy: 2.4966572408718792
Energy: 1.8799583904813308
Energy: 1.8574439370702336
Energy: 1.8238098505260592
Energy: 1.8308037981821081
Energy: 1.8238098505260592
Energy: 2.2979226426147705
Energy: 1.9650678771646426
Energy: 1.8930879981627657
Energy: 1.9650678771646426
Energy: 2.0233001744099592
Energy: 1.9736484005351487
Energy: 10.250652996566181
Energy: 1.9736484005351487
Energy: 2.0221320881972598
Energy: 1.9555149067581041
Energy: 10.277176587579214
Energy: 1.9555149067581041
Energy: 2.3744582665479403
Energy: 1.9630805216229228
Energy: 1.972767497524684
Energy: 1.963080521624426
Energy: 1.856397682917372
Energy: 1.9287858400798907
Energy: 1.808457718826194
Energy: 1.9287858400783877
Energy: 1.9775372456433842
Energy: 1.9187884125660897
Energy: 2.5580599094076275
Energy: 1.9187884125660897
Energy: 10.103687891028313
Energy: 1.9309637643313597
Energy: 1.8389159897180964
Energy: 1.9309637643313597

minimum gb energy = 1.8082689001945929 eV
minimum distance =  2.43095121936151 Angstroms
sigma value = 7


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

Energy: 2.23368518052451
Energy: 2.0120813645786564
Energy: 8.061228062814568
Energy: 2.0120813645786564
Energy: 2.2567961343010636
Energy: 1.9766224200450768
Energy: 1.9513400927146822
Energy: 1.9766224200461397
Energy: 1.9472035909595482
Energy: 1.8925562837824625
Energy: 1.8943532551042526
Energy: 1.8925562837835253
Energy: 1.9511129324120273
Energy: 1.8479060445843196
Energy: 1.9558186357137681
Energy: 1.8479060445843196
Energy: 2.0867884929368694
Energy: 1.890717269572521
Energy: 1.8432080521460985
Energy: 1.890717269572521
Energy: 13.3103136783961
Energy: 1.847444962297066
Energy: 1.8533933833505531
Energy: 1.847444962297066
Energy: 1.9107110514697794
Energy: 1.9498641386685978
Energy: 2.309584956786871
Energy: 1.9498641386685978
Energy: 1.8529214603471988
Energy: 1.847249240815933
Energy: 13.142184561996405
Energy: 1.847249240815933
Energy: 2.318367967762336
Energy: 1.9992078443167585
Energy: 1.9499603777171668
Energy: 1.9992078443167585
Energy: 1.8871562620838798
Energy: 1.8467159148211023
Energy: 1.9508096630528833
Energy: 1.8467159148200394
Energy: 1.8935390544518431
Energy: 1.980203239613005
Energy: 2.104472464442821
Energy: 1.980203239613005
Energy: 13.692164019342911
Energy: 1.982589261164503
Energy: 2.091557838637228
Energy: 1.9825892611655658
Energy: 13.611283079966821
Energy: 1.968993973673994
Energy: 2.099157048684101
Energy: 1.9689939736750568
Energy: 1.8885699399348197
Energy: 1.9794359083346247
Energy: 2.436822028623653
Energy: 1.9794359083356878
Energy: 1.8929542167461273
Energy: 1.9658474737996348
Energy: 1.945946372597542
Energy: 1.9658474737996348
Energy: 2.395571010372336
Energy: 2.131393914562923
Energy: 1.9456725461785207
Energy: 2.131393914562923
Energy: 1.845751737745703
Energy: 1.8430406088482085
Energy: 2.085599152483538
Energy: 1.8430406088492715
Energy: 1.8411090102300394
Energy: 2.0211571716185155
Energy: 2.3055216873356144
Energy: 2.021157171615327
Energy: 2.6828370608541983
Energy: 1.8451284187456527
Energy: 1.8447400625623884
Energy: 1.84512841874459
Energy: 2.0897287167498484
Energy: 1.892524559849279
Energy: 1.8416350798055359
Energy: 1.8925245598482163
Energy: 1.9463376295292778
Energy: 2.0040198850694586
Energy: 1.9480720817391202
Energy: 2.0040198850694586
Energy: 1.9465441661084406
Energy: 1.8937993259935846
Energy: 1.9044429376703078
Energy: 1.8937993259935846
Energy: 2.2559519283333485
Energy: 1.9126846904719306
Energy: 1.9458542365224616
Energy: 1.9126846905515993
Energy: 2.092703232738592
Energy: 2.018156824268635
Energy: 13.40800584087508
Energy: 2.018156824268635
Energy: 2.0981173508769912
Energy: 1.9782491598772975
Energy: 1.9469295597561678
Energy: 1.9782491598762348
Energy: 2.1108478931966497
Energy: 1.89655548559397
Energy: 1.8868107100497513
Energy: 1.896555485581215
Energy: 1.9460712083818619
Energy: 1.8461731364773706
Energy: 1.8874878737814522
Energy: 1.8461731364773706
Energy: 2.0914573019551312
Energy: 1.8890734331489702
Energy: 2.315365398663979
Energy: 1.8890734331489702
Energy: 13.26619883629227
Energy: 1.8460392647994783
Energy: 1.8470828889786868
Energy: 1.8460392648016042
Energy: 2.3074319571435398
Energy: 1.997810579346424
Energy: 2.306896133584803
Energy: 1.997810579346424
Energy: 1.8469673179700978
Energy: 1.8456411349888773
Energy: 12.934951503699441
Energy: 1.8456411349899402

minimum gb energy = 1.8411090102300394 eV
minimum distance =  2.43200814111353 Angstroms
sigma value = 29


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

Energy: 1.793595114429939
Energy: 2.093884935208073
Energy: 11.14823964102609
Energy: 2.093884935208073
Energy: 2.1842441990634707
Energy: 1.840126684624972
Energy: 1.8552302491735786
Energy: 1.8401266846253421
Energy: 2.346439163154033
Energy: 1.8144448396314148
Energy: 1.8139782602042147
Energy: 1.8144448396314148
Energy: 2.4062180410144944
Energy: 1.8541429935339808
Energy: 1.811342043025519
Energy: 1.854142993534351
Energy: 2.561849458474537
Energy: 1.8139073373650443
Energy: 1.81014173321286
Energy: 1.8139073373647152
Energy: 2.2968637143434854
Energy: 1.8112598515075704
Energy: 1.8102655272710237
Energy: 1.8112598515075704
Energy: 1.978967705486205
Energy: 1.8101533719565563
Energy: 2.531306257768843
Energy: 1.8101533719561862
Energy: 1.7931124737906392
Energy: 1.8144950983392791
Energy: 18.96468035921366
Energy: 1.8144950983396495
Energy: 2.339574941240715
Energy: 2.013551740625637
Energy: 2.0033328615044743
Energy: 2.0135517406267063

minimum gb energy = 1.7931124737906392 eV
minimum distance =  2.47409383482783 Angstroms
sigma value = 5


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

Energy: 2.1358920181893595
Energy: 1.9934782890745126
Energy: 10.179073095662398
Energy: 1.9934782890745126
Energy: 2.289288254030485
Energy: 1.9544937845073942
Energy: 2.009264304337635
Energy: 1.9544937845063903
Energy: 2.060535146523376
Energy: 1.9817115987144605
Energy: 1.9708907110396297
Energy: 1.9817115987134566
Energy: 2.0540858114465146
Energy: 2.121484891665186
Energy: 2.0992070728430883
Energy: 2.121484891665186
Energy: 1.968410947135941
Energy: 1.9709921283614906
Energy: 1.939516952945238
Energy: 1.9709921283614906
Energy: 2.1947140296289693
Energy: 1.979114567942646
Energy: 1.9461565486630772
Energy: 1.979114567942646
Energy: 2.0424284959271617
Energy: 1.9739456000992883
Energy: 2.186640625818236
Energy: 1.9739456000972806
Energy: 2.0463378977171467
Energy: 1.9719978861359535
Energy: 2.3508455174155434
Energy: 1.9719978861359535
Energy: 2.4410800065602194
Energy: 1.9766326710840585
Energy: 2.0541248686601716
Energy: 1.9766326710830546
Energy: 7.872967177506123
Energy: 1.9732258602435855
Energy: 2.0582083719338637
Energy: 1.9732258602425814
Energy: 1.9468795199054318
Energy: 1.948959938368792
Energy: 2.2617486007594807
Energy: 1.9489599383677882
Energy: 1.948197278697063
Energy: 1.9489935846371225
Energy: 2.005735659719413
Energy: 1.9489935846361186
Energy: 2.153039268426771
Energy: 2.2365089398204048
Energy: 2.0046980968111554
Energy: 2.2365089398214084
Energy: 1.9456409396547865
Energy: 1.9571913030331034
Energy: 1.994613968359526
Energy: 1.9571913030341075
Energy: 1.9703455086477244
Energy: 2.214701202899528
Energy: 2.1853239080254108
Energy: 2.214701202899528
Energy: 8.077626196742383
Energy: 1.9713641136021411
Energy: 2.1389274434495835
Energy: 1.9713641136011373
Energy: 2.28727010161992
Energy: 1.9366479896673856
Energy: 2.225715260185338
Energy: 1.9366479896673856
Energy: 1.9851682861667461
Energy: 1.9700001162810985
Energy: 7.516397119239211
Energy: 1.9700001162800944
Energy: 2.0800855821290787
Energy: 1.9625437613460526
Energy: 2.0468884380584087
Energy: 1.9625437613470567
Energy: 1.971731044239348
Energy: 1.9500145936000386
Energy: 1.9616838739140232
Energy: 1.9500145936000386
Energy: 1.9694923929958534
Energy: 1.9968351323685574
Energy: 2.140381669232316
Energy: 1.9968351323675533
Energy: 2.1367019113173455
Energy: 1.9703930594108146
Energy: 1.9413045706703034
Energy: 1.9703930594098105
Energy: 2.055815643252428
Energy: 1.9764274196590526
Energy: 1.942967565839788
Energy: 1.9764274196570444
Energy: 2.211106672119668
Energy: 1.9906806410704578
Energy: 8.216540579764164
Energy: 1.9906806410684499
Energy: 2.2360000271403124
Energy: 1.9818387610963943
Energy: 7.478332361017312
Energy: 1.9818387610973982
Energy: 2.159267130257788
Energy: 2.000309628077134
Energy: 1.9417891132143115
Energy: 2.000309628077134
Energy: 2.044533327854377
Energy: 1.9763012156428847
Energy: 1.9428831746877138
Energy: 1.9763012156438886
Energy: 2.0116089717464485
Energy: 2.110555279504197
Energy: 2.2128049999634376
Energy: 2.110555279505201
Energy: 1.9770968459243008
Energy: 1.9754173842245173
Energy: 1.9552201635359632
Energy: 1.9754173842245173
Energy: 2.151024749362698
Energy: 2.2662236331680248
Energy: 2.0333479115315094
Energy: 2.2662236331660166
Energy: 2.042340488141368
Energy: 1.9718419387288937
Energy: 7.4311571049509295
Energy: 1.971841938730902
Energy: 2.098689213628207
Energy: 1.9439903651006643
Energy: 2.248721034474855
Energy: 1.9439903651006643
Energy: 7.846749006387484
Energy: 1.9713785963658967
Energy: 2.0550686942002754
Energy: 1.9713785963658967

minimum gb energy = 1.9366479896673856 eV
minimum distance =  2.45212517169305 Angstroms
sigma value = 1


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

Energy: 1.9319794530852348
Energy: 1.8466640036246067
Energy: 9.260110231788913
Energy: 1.8466640036246067
Energy: 1.9788560254892573
Energy: 1.9579378282629802
Energy: 1.9524192461812626
Energy: 1.9579378282643687
Energy: 2.2123207322884086
Energy: 1.875596923031119
Energy: 1.9778560791136308
Energy: 1.875596923031119
Energy: 1.9527177746661535
Energy: 1.877470341194471
Energy: 1.998883301734866
Energy: 1.877470341194471
Energy: 1.9395806797167259
Energy: 1.8855769120449242
Energy: 1.9258467420083158
Energy: 1.885576912043536
Energy: 1.9338685917068905
Energy: 2.1148817147728405
Energy: 1.9258357350556525
Energy: 2.1148817147728405
Energy: 1.9269136835602605
Energy: 1.8753006825988205
Energy: 2.220857439893346
Energy: 1.8753006825988205
Energy: 1.9269980032628404
Energy: 1.9045900590212614
Energy: 2.215014732849797
Energy: 1.9045900590226497
Energy: 15.666382474623667
Energy: 1.8816006065160018
Energy: 1.8943219416477435
Energy: 1.8816006065160018
Energy: 15.714591039079172
Energy: 1.8817207040901243
Energy: 1.8943388940866959
Energy: 1.8817207040901243
Energy: 1.9268824613348543
Energy: 1.9047706418967114
Energy: 2.215014732849797
Energy: 1.9047706418967114
Energy: 1.9268302583041546
Energy: 1.8753210233858262
Energy: 2.220857439893346
Energy: 1.8753210233858262
Energy: 1.933950484422959
Energy: 2.1150325515035022
Energy: 1.925913546589856
Energy: 2.1150325515035022
Energy: 1.939561287876246
Energy: 1.8459937032774991
Energy: 1.9260279444221815
Energy: 1.8459937032774991
Energy: 1.9528919201279005
Energy: 1.8775012134430795
Energy: 1.9988403019871934
Energy: 1.8775012134430795
Energy: 2.2123207322884086
Energy: 1.8756042167747824
Energy: 1.9775735628478635
Energy: 1.8756042167747824
Energy: 1.978690339157089
Energy: 1.95735864972885
Energy: 1.9524477542289338
Energy: 1.9573586497274618
Energy: 1.9319794530838466
Energy: 1.8466640036232187
Energy: 9.255759971941616
Energy: 1.8466640036246067
Energy: 1.9788560254892573
Energy: 1.957937828265757
Energy: 1.9524192461812626
Energy: 1.9579378282629802
Energy: 2.2123207322884086
Energy: 1.875596923031119
Energy: 1.9778560791136308
Energy: 1.875596923031119
Energy: 1.9527177746647653
Energy: 1.8774703411930829
Energy: 1.998883301734866
Energy: 1.877470341194471
Energy: 1.9395806797153377
Energy: 1.8855769120449242
Energy: 1.9258467420083158
Energy: 1.885576912043536
Energy: 1.9338685917068905
Energy: 2.1148817147728405
Energy: 1.9258357350556525
Energy: 2.1148817147728405
Energy: 1.9269136835602605
Energy: 1.8753006825988205
Energy: 2.220857439893346
Energy: 1.8753006825988205

minimum gb energy = 1.8459937032774991 eV
minimum distance =  2.46639057924796 Angstroms
sigma value = 17


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

Energy: 2.183762813626587
Energy: 1.9431350689462927
Energy: 9.144844562331818
Energy: 1.943135068944577
Energy: 2.2164564548214463
Energy: 2.1375951655978063
Energy: 2.0927927410256433
Energy: 2.1375951655978063
Energy: 6.742910459344801
Energy: 1.8792444988858636
Energy: 1.9345216543732937
Energy: 1.8792444988850057
Energy: 1.9408322265709568
Energy: 2.1801848697104553
Energy: 2.0703417829357624
Energy: 2.1801848697104553
Energy: 1.942754815865634
Energy: 1.865235179017692
Energy: 1.920544016971547
Energy: 1.8652351790194077
Energy: 2.0812980761668958
Energy: 2.0078018405887437
Energy: 1.924131013304821
Energy: 2.00780184058617
Energy: 1.904251963254529
Energy: 1.8721884649837803
Energy: 1.9539189090765983
Energy: 1.8721884649837803
Energy: 1.9057479108876203
Energy: 1.8708735322552477
Energy: 2.087219763903519
Energy: 1.8708735322552477
Energy: 7.162884145611138
Energy: 1.8790572000730021
Energy: 2.1368115997297967
Energy: 1.8790572000747183
Energy: 6.972740211368827
Energy: 1.8851898502923725
Energy: 2.135337590089957
Energy: 1.8851898502923725
Energy: 1.9981508901252607
Energy: 1.8791624949578498
Energy: 2.0882169179416157
Energy: 1.8791624949544175
Energy: 1.9973105808308675
Energy: 1.8797610317436322
Energy: 2.0201508152484737
Energy: 1.879761031741916
Energy: 2.12441951858252
Energy: 1.8900459395166738
Energy: 1.911589739022479
Energy: 1.8900459395183897
Energy: 1.9413919157801616
Energy: 1.8654175050535853
Energy: 1.91236014684853
Energy: 1.8654175050570179
Energy: 1.937150729431503
Energy: 1.90305638130429
Energy: 2.012243234339001
Energy: 1.9030563813051482
Energy: 1.940039666009339
Energy: 1.8712691520620122
Energy: 1.9095683454273742
Energy: 1.871269152059438
Energy: 2.109084109023098
Energy: 1.8974165874587583
Energy: 2.029026785694165
Energy: 1.8974165874596165
Energy: 2.00613256995328
Energy: 1.8878344985943787
Energy: 6.978662668291691
Energy: 1.8878344985943787
Energy: 2.0313436697942144
Energy: 1.9645933717728155
Energy: 2.133094229505893
Energy: 1.9645933717745316
Energy: 11.339560379711402
Energy: 1.9209177123096381
Energy: 2.0269411911981092
Energy: 1.9209177123096381
Energy: 2.0801714387197197
Energy: 2.1891009304545763
Energy: 2.1922782270707164
Energy: 2.1891009304528604
Energy: 1.9294759967672763
Energy: 1.8652415079831444
Energy: 1.970592625254518
Energy: 1.8652415079865765
Energy: 2.0539775893191083
Energy: 2.114701025748355
Energy: 1.9817702075862202
Energy: 2.1147010257466383
Energy: 1.899091184947307
Energy: 1.8730503677816408
Energy: 1.914090636549868
Energy: 1.873050367783357
Energy: 1.907246217123517
Energy: 1.969317197745038
Energy: 2.146678685357696
Energy: 1.969317197745038
Energy: 1.9966473964133737
Energy: 1.8708946952560603
Energy: 1.9127276246790528
Energy: 1.8708946952586345
Energy: 2.0646845675712053
Energy: 1.8656995962037293
Energy: 1.992131133374313
Energy: 1.8656995962045875
Energy: 2.153621601216062
Energy: 1.8862119752736315
Energy: 11.339322978456439
Energy: 1.8862119752753477
Energy: 2.149874438211287
Energy: 1.8928676173655665
Energy: 7.002191475784149
Energy: 1.8928676173681405
Energy: 2.150379829830228
Energy: 1.8708112530891186
Energy: 1.9127843463876697
Energy: 1.8708112530908347
Energy: 2.0474906509041206
Energy: 1.866465689577039
Energy: 1.9918104706654125
Energy: 1.8664656895753229
Energy: 1.8988637821785967
Energy: 1.900265035203809
Energy: 2.0041432875389447
Energy: 1.900265035203809
Energy: 1.9062438021840022
Energy: 1.8728660180740073
Energy: 1.9099404465370136
Energy: 1.8728660180740073
Energy: 2.036794999442497
Energy: 1.880476423119084
Energy: 1.967277821679141
Energy: 1.8804764231216584
Energy: 1.9177147568322406
Energy: 1.8675814678260247
Energy: 1.9848897920529003
Energy: 1.8675814678268827
Energy: 2.0948599539223975
Energy: 1.8880300585819172
Energy: 2.108041975048587
Energy: 1.8880300585819172
Energy: 7.323522824731249
Energy: 1.8776676912376367
Energy: 2.033825651006271
Energy: 1.8776676912376367
Energy: 2.1006865008199935
Energy: 1.965924625953639
Energy: 2.1167074823781955
Energy: 1.965924625955355

minimum gb energy = 1.865235179017692 eV
minimum distance =  2.46409942083461 Angstroms
sigma value = 89


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

Energy: 2.0201441880317517
Energy: 1.7571473682162104
Energy: 7.825065073089723
Energy: 1.7571473682162104
Energy: 1.9055067362457427
Energy: 2.002485345131834
Energy: 1.9369056232692592
Energy: 2.002485345131834
Energy: 12.690977615944997
Energy: 1.7345081196428556
Energy: 1.7915432759286685
Energy: 1.7345081196428556
Energy: 1.8357625919339362
Energy: 1.7652575910166224
Energy: 2.0145226550231303
Energy: 1.7652575910166224
Energy: 1.8316462761099632
Energy: 1.7653742316597254
Energy: 1.8816180609905835
Energy: 1.7653742316597254
Energy: 1.9314274682500785
Energy: 2.1417894974154015
Energy: 1.8807803697437888
Energy: 2.1417894974154015
Energy: 1.8017396467784825
Energy: 1.7355504682469889
Energy: 1.882574104535026
Energy: 1.7355504682469889
Energy: 1.801740243790666
Energy: 1.7903936317388596
Energy: 2.2405351265485423
Energy: 1.7903936317388596
Energy: 2.1087831839089213
Energy: 1.7660200083063897
Energy: 1.7683609962966205
Energy: 1.7660200083063897
Energy: 2.047593858201145
Energy: 1.766515322233196
Energy: 1.7687483869558611
Energy: 1.766515322233196
Energy: 1.971048817899397
Energy: 1.735297000088479
Energy: 13.067808221988454
Energy: 1.735297000088479
Energy: 1.966352383952821
Energy: 1.735273815267562
Energy: 13.20089268199078
Energy: 1.735273815267562
Energy: 13.463949691977584
Energy: 1.765992855249263
Energy: 1.7684608535994453
Energy: 1.765992855249263
Energy: 2.111255077829754
Energy: 1.765603077580299
Energy: 1.7691719173214322
Energy: 1.765603077580299
Energy: 1.8028461967260125
Energy: 1.7655497583485684
Energy: 2.2320331573182894
Energy: 1.7655497583485684

minimum gb energy = 1.7345081196428556 eV
minimum distance =  2.47052912962368 Angstroms
sigma value = 13


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

Energy: 1.8419138550453245
Energy: 1.6943145881054333
Energy: 7.149149052777502
Energy: 1.6943145881063744
Energy: 1.858269222432356
Energy: 1.6803386902060733
Energy: 1.8668255784158954
Energy: 1.6803386902041912
Energy: 12.128073947794
Energy: 1.6194460206153412
Energy: 1.7905598462847958
Energy: 1.6194460206144006
Energy: 1.8480809782072753
Energy: 1.786217654458591
Energy: 1.8666846822171739
Energy: 1.786217654458591
Energy: 1.764706405641152
Energy: 1.6350899138217991
Energy: 1.836325829849556
Energy: 1.635089913820858
Energy: 1.8667486881411486
Energy: 1.6363420548491387
Energy: 1.804388495175076
Energy: 1.6363420548491387
Energy: 1.7801477767882823
Energy: 1.621435895504768
Energy: 1.790801083884558
Energy: 1.621435895504768
Energy: 1.7651142684605594
Energy: 1.849695368037858
Energy: 1.9047496844833103
Energy: 1.8496953680369173
Energy: 1.824546004457609
Energy: 1.6365879556261613
Energy: 1.7560084741799062
Energy: 1.6365879556261613
Energy: 1.9850472860651662
Energy: 1.6381478355291883
Energy: 1.7874774032459289
Energy: 1.6381478355291883
Energy: 1.7624669861105822
Energy: 1.6220827544497722
Energy: 11.735710302533777
Energy: 1.6220827544497722
Energy: 1.7648904485401713
Energy: 1.6216310528252569
Energy: 2.0386391126086103
Energy: 1.6216310528252569
Energy: 12.055495793249944
Energy: 1.679518553876012
Energy: 1.814487998399987
Energy: 1.679518553876012
Energy: 1.87573336964677
Energy: 1.6799611884337349
Energy: 1.959186417626633
Energy: 1.6799611884327939
Energy: 1.7625093942700145
Energy: 1.6220268439666425
Energy: 12.061070554980008
Energy: 1.6220268439657017
Energy: 1.7652047101975064
Energy: 1.6211959889942682
Energy: 1.9485934369347322
Energy: 1.6211959889942682
Energy: 1.8626311259957509
Energy: 1.638192263224796
Energy: 1.7561913415005355
Energy: 1.638192263224796
Energy: 1.8381828939170108
Energy: 1.6357837843138465
Energy: 1.7854329448233335
Energy: 1.6357837843147873
Energy: 1.7663687731919693
Energy: 1.6223262962895828
Energy: 1.7653913724000143
Energy: 1.6223262962895828
Energy: 1.765764200772055
Energy: 1.6229023756980736
Energy: 1.7664374815114978
Energy: 1.6229023756980736
Energy: 1.7858197278465842
Energy: 1.6359256285346813
Energy: 1.8379759776437439
Energy: 1.6359256285337405
Energy: 1.7561856656667656
Energy: 1.6381862157856037
Energy: 1.8626311259919868
Energy: 1.6381862157846627
Energy: 1.9485934369366142
Energy: 1.6215310736961817
Energy: 1.7647958164168305
Energy: 1.6215310736961817
Energy: 12.218893206489769
Energy: 1.62199820150152
Energy: 1.76255670992956
Energy: 1.621998201500579
Energy: 1.9592640493344315
Energy: 1.6799626440064537
Energy: 1.8757613709911285
Energy: 1.6799626440073947
Energy: 1.8145371971868722
Energy: 1.6792964108832587
Energy: 11.879678025730861
Energy: 1.6792964108832587
Energy: 2.0386829192750744
Energy: 1.6216066463739274
Energy: 1.7648777905053177
Energy: 1.6216066463729866
Energy: 11.932086779136313
Energy: 1.6219545284362678
Energy: 1.762309249485379
Energy: 1.6219545284362678
Energy: 1.7874914752461966
Energy: 1.6375541018029216
Energy: 1.984888142796974
Energy: 1.6375541018029216
Energy: 1.7556916784191021
Energy: 1.6373460870906928
Energy: 1.8245455955583527
Energy: 1.6373460870897516
Energy: 1.9050440196179994
Energy: 1.8499695147775648
Energy: 1.7651240064183231
Energy: 1.8499695147738007
Energy: 1.7922781247561337
Energy: 1.6214007694969081
Energy: 1.7801079128895723
Energy: 1.6214007694959673
Energy: 1.8049942813701396
Energy: 1.6364897523160231
Energy: 1.8667650886199987
Energy: 1.6364897523160231
Energy: 1.8367374534853422
Energy: 1.6355964765104631
Energy: 1.7646074209779445
Energy: 1.6355964765095221
Energy: 1.8667118593991248
Energy: 1.7857871628201287
Energy: 1.8486079409495857
Energy: 1.785787162819188

minimum gb energy = 1.6194460206144006 eV
minimum distance =  2.4511650655238 Angstroms
sigma value = 37


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

Energy: 1.8710070802971401
Energy: 1.5914404694582582
Energy: 6.1992933437342534
Energy: 1.591440469459877
Energy: 1.957157212284296
Energy: 1.6215203445401654
Energy: 1.7729830287548043
Energy: 1.6215203445417843
Energy: 9.220871965223502
Energy: 1.5212657669000478
Energy: 1.7712171620369235
Energy: 1.5212657668984286
Energy: 1.8129741632644933
Energy: 1.7222289683589245
Energy: 1.772369964317065
Energy: 1.7222289683589245
Energy: 1.6903507710548715
Energy: 1.5129156325672524
Energy: 1.851259046713248
Energy: 1.5129156325672524
Energy: 1.8131629195627157
Energy: 1.544192447404382
Energy: 1.7798509982329502
Energy: 1.544192447404382
Energy: 1.7160504155475762
Energy: 1.5211257554309232
Energy: 1.6878071226524614
Energy: 1.5211257554309232
Energy: 1.7919984074582176
Energy: 1.6547655082469201
Energy: 1.7713180846705678
Energy: 1.6547655082469201
Energy: 1.7192041075778026
Energy: 1.5134361256918043
Energy: 1.6779438309290995
Energy: 1.5134361256918043
Energy: 1.8083660801076822
Energy: 1.5419316448975882
Energy: 1.6772764554712445
Energy: 1.5419316448975882
Energy: 1.6466451711690315
Energy: 1.5207369581805084
Energy: 1.7984865551925102
Energy: 1.5207369581805084
Energy: 1.660902619891719
Energy: 1.5416508745535102
Energy: 1.9526062478108936
Energy: 1.5416508745535102
Energy: 10.119897810209975
Energy: 1.512732502569092
Energy: 1.750129320837392
Energy: 1.512732502569092
Energy: 1.7820711592590273
Energy: 1.5144479404657305
Energy: 1.7833710436135644
Energy: 1.5144479404657305
Energy: 1.8046975561243677
Energy: 1.58349467690672
Energy: 10.34342938464667
Energy: 1.583494676908339
Energy: 1.822114532828374
Energy: 1.6088662527063657
Energy: 1.8138266869236013
Energy: 1.6088662527063657
Energy: 10.243930852368823
Energy: 1.5128343300169749
Energy: 1.7495712716124279
Energy: 1.5128343300169749
Energy: 1.7741586211207505
Energy: 1.514536430568949
Energy: 1.7834624427168362
Energy: 1.514536430568949
Energy: 1.647243588577277
Energy: 1.519921759911162
Energy: 1.850597498312731
Energy: 1.519921759911162
Energy: 1.645475460325011
Energy: 1.5428045306428428
Energy: 1.868408781867096
Energy: 1.5428045306428428

minimum gb energy = 1.512732502569092 eV
minimum distance =  2.49379727605133 Angstroms
sigma value = 25


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

Energy: 1.7777633690239802
Energy: 1.4462630986434268
Energy: 11.512875709266831
Energy: 1.446263098644691
Energy: 1.7274355991446941
Energy: 1.5955104566694585
Energy: 1.7098585447431436
Energy: 1.5955104566707228
Energy: 8.47478913614807
Energy: 1.3869896057479778
Energy: 1.713950299215852
Energy: 1.3869896057479778
Energy: 1.6123763072571404
Energy: 1.408159118801993
Energy: 1.7037833468442665
Energy: 1.408159118801993
Energy: 1.6330676245378657
Energy: 1.354508609532733
Energy: 8.500436548892711
Energy: 1.3545086095339973
Energy: 1.6118529691015615
Energy: 1.3820046634162269
Energy: 1.6363878512393755
Energy: 1.382004663414963
Energy: 1.5957368450711864
Energy: 1.3525035459915973
Energy: 1.61041287434871
Energy: 1.3525035459928614
Energy: 1.6275066868562094
Energy: 1.3640539042390907
Energy: 1.6624940822693703
Energy: 1.3640539042378268
Energy: 1.561988557271665
Energy: 1.3551939326526532
Energy: 1.5811161689575328
Energy: 1.3551939326526532
Energy: 1.6422160723700088
Energy: 1.4246114058490018
Energy: 1.608777060382041
Energy: 1.4246114058477377
Energy: 1.560751795050392
Energy: 1.3518651714517222
Energy: 1.5824587278849103
Energy: 1.3518651714517222
Energy: 1.5748057064876597
Energy: 1.3645341060915703
Energy: 1.659331767161489
Energy: 1.3645341060915703
Energy: 1.5950499320843397
Energy: 1.3538449214725103
Energy: 1.5563653229387664
Energy: 1.3538449214737744
Energy: 1.7376260070387923
Energy: 1.367527479622227
Energy: 1.5470200136999026
Energy: 1.367527479622227
Energy: 1.5820429317736218
Energy: 1.351510512591957
Energy: 1.6647822978223117
Energy: 1.351510512591957
Energy: 1.6117662431818682
Energy: 1.3537556833938744
Energy: 1.703324412941186
Energy: 1.3537556833951383
Energy: 8.498013971370764
Energy: 1.384362583920702
Energy: 1.6430700167603018
Energy: 1.3843625839194382
Energy: 1.664858716172095
Energy: 1.4745655092506575
Energy: 1.6338734369369314
Energy: 1.4745655092506575
Energy: 1.7108916728074166
Energy: 1.4389825317751517
Energy: 7.79848328638786
Energy: 1.4389825317751517
Energy: 1.7243700298108742
Energy: 1.4439086054456587
Energy: 1.704292711533441
Energy: 1.4439086054456587
Energy: 8.596896497225732
Energy: 1.3842501735731547
Energy: 1.6431670232830662
Energy: 1.3842501735731547
Energy: 1.7296133010650125
Energy: 1.413751196878035
Energy: 1.6334422756902522
Energy: 1.413751196878035
Energy: 1.5823672683313497
Energy: 1.351434510520288
Energy: 8.618239528312756
Energy: 1.351434510520288
Energy: 1.6442366571228797
Energy: 1.3525175868811607
Energy: 1.6314031489051968
Energy: 1.3525175868811607
Energy: 1.5923125713318784
Energy: 1.3539340881501731
Energy: 1.556341756969043
Energy: 1.3539340881501731
Energy: 1.6636289271852047
Energy: 1.366011872830821
Energy: 1.6083355499353365
Energy: 1.3660118728320851

minimum gb energy = 1.351434510520288 eV
minimum distance =  2.5017175015353 Angstroms
sigma value = 41


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

Energy: 1.7419662074017361
Energy: 1.3307517168907201
Energy: 9.216751511845581
Energy: 1.3307517168907201
Energy: 1.5940701111013749
Energy: 1.3594326539237278
Energy: 1.5697636569917757
Energy: 1.3594326539226913
Energy: 7.087222516031693
Energy: 1.2897065248357162
Energy: 1.6404525129097165
Energy: 1.28970652483468
Energy: 1.5598342493615187
Energy: 1.5237407457216505
Energy: 1.5696135532624387
Energy: 1.523740745720614
Energy: 1.6058381676144826
Energy: 1.2464591958645903
Energy: 7.2034840992781035
Energy: 1.2464591958645903
Energy: 1.5597126728596875
Energy: 1.272634396391475
Energy: 1.5069649591589254
Energy: 1.272634396389402
Energy: 1.509687749244306
Energy: 1.2287551070454221
Energy: 1.5348937302841599
Energy: 1.2287551070454221
Energy: 1.5222666119088537
Energy: 1.2744944962579219
Energy: 1.5065112679189696
Energy: 1.2744944962548128
Energy: 1.5242824422652543
Energy: 1.2280336716738032
Energy: 1.4724627022606454
Energy: 1.2280336716748395
Energy: 1.5565638638417163
Energy: 1.3088190891275957
Energy: 1.522628167766685
Energy: 1.308819089125523
Energy: 1.4782139626630917
Energy: 1.2290527572695258
Energy: 1.471626302971096
Energy: 1.2290527572705623
Energy: 1.500682347258779
Energy: 1.274022223907259
Energy: 1.5461168298232442
Energy: 1.274022223907259
Energy: 1.485441768082304
Energy: 1.2284999084123496
Energy: 1.4645435389967407
Energy: 1.2284999084144226
Energy: 1.556985962444089
Energy: 1.2392499902570864
Energy: 1.5172066686782373
Energy: 1.2392499902570864
Energy: 1.5115327441794784
Energy: 1.2293243393088384
Energy: 1.4700631930694565
Energy: 1.2293243393088384
Energy: 1.502406977879661
Energy: 1.2381225093380563
Energy: 1.6104111055402923
Energy: 1.2381225093370198
Energy: 1.5091645571593206
Energy: 1.2286432776808598
Energy: 1.5220897553025787
Energy: 1.2286432776798233
Energy: 1.5547492844572552
Energy: 1.2289819717960457
Energy: 1.5147558649139805
Energy: 1.2289819717960457
Energy: 1.537028726530786
Energy: 1.2462394110905577
Energy: 7.320781015615287
Energy: 1.2462394110926305
Energy: 1.5248216225767801
Energy: 1.41652523705527
Energy: 1.6558054624527803
Energy: 1.41652523705527
Energy: 7.48849277262323
Energy: 1.2838479553098847
Energy: 1.5734666884877406
Energy: 1.283847955308848
Energy: 1.6647349184856655
Energy: 1.3385549398903782
Energy: 1.5652604239138839
Energy: 1.3385549398903782
Energy: 1.65800362474933
Energy: 1.3263798169662075
Energy: 11.224085734664648
Energy: 1.326379816965171
Energy: 1.5999611390281403
Energy: 1.3503705595825868
Energy: 1.6560982849335766
Energy: 1.3503705595825868
Energy: 7.543767601281643
Energy: 1.2835479340564837
Energy: 1.5733486185581491
Energy: 1.28354793405752
Energy: 1.5556100958002717
Energy: 1.2837089907405324
Energy: 1.565085676078362
Energy: 1.2837089907405324
Energy: 1.5374819945639677
Energy: 1.2462961397628958
Energy: 7.187338864779149
Energy: 1.2462961397618593
Energy: 1.524501283547662
Energy: 1.2661148171881256
Energy: 1.5706821203481272
Energy: 1.2661148171881256
Energy: 1.5066874219272697
Energy: 1.2286383139600765
Energy: 1.521911005578695
Energy: 1.2286383139600765
Energy: 1.524632566171691
Energy: 1.2286412374451583
Energy: 1.5137179016256546
Energy: 1.2286412374451583
Energy: 1.5112587391540808
Energy: 1.22927593089922
Energy: 1.46963952383175
Energy: 1.2292759309002095
Energy: 1.50530924765104
Energy: 1.2364807542847311
Energy: 1.5422839572655296
Energy: 1.2364807542847311

minimum gb energy = 1.2280336716738032 eV
minimum distance =  2.51452563942984 Angstroms
sigma value = 15


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

Energy: 1.6506906010860336
Energy: 1.2484760447331351
Energy: 8.690032062691287
Energy: 1.248476044734891
Energy: 1.549851474399762
Energy: 1.2859475678991177
Energy: 1.5306313695172646
Energy: 1.2859475678999954
Energy: 10.891083513489948
Energy: 1.1955574422605069
Energy: 1.582749943058535
Energy: 1.1955574422596287
Energy: 1.46695905446367
Energy: 1.2208951769838783
Energy: 1.5303471390170285
Energy: 1.2208951769838783
Energy: 1.5481872710602758
Energy: 1.1701185619661059
Energy: 6.429100005226674
Energy: 1.1701185619661059
Energy: 1.4662061946200056
Energy: 1.2046031942746114
Energy: 1.4617031554206628
Energy: 1.2046031942746114
Energy: 6.506401889603444
Energy: 1.1422783673592545
Energy: 1.477973728271736
Energy: 1.1422783673610104
Energy: 1.4297499907920093
Energy: 1.1862841734843725
Energy: 1.4611076770030056
Energy: 1.1862841734861287
Energy: 1.4565361108110042
Energy: 1.132320276624414
Energy: 1.3842735127133337
Energy: 1.132320276623536
Energy: 1.429666943079104
Energy: 1.1645003686480584
Energy: 1.4558726762751177
Energy: 1.1645003686463025
Energy: 1.3778973351392918
Energy: 1.1323309859753425
Energy: 1.4071152197943826
Energy: 1.1323309859762207
Energy: 1.4402284617865266
Energy: 1.1862414501342855
Energy: 1.5051659604704706
Energy: 1.1862414501351635
Energy: 1.4013897572628797
Energy: 1.1324091490512707
Energy: 1.3692312973672007
Energy: 1.1324091490530266
Energy: 1.4782678016543096
Energy: 1.1603856186390584
Energy: 1.4224547033648551
Energy: 1.1603856186408144
Energy: 1.392003381143468
Energy: 1.1323803640905783
Energy: 1.3723873245528275
Energy: 1.1323803640897003
Energy: 1.435422776131522
Energy: 1.159865926172262
Energy: 1.4813508351407116
Energy: 1.1598659261696278
Energy: 1.3813834134207148
Energy: 1.1325770634231547
Energy: 1.3974399242395827
Energy: 1.1325770634249106
Energy: 1.5135195236825276
Energy: 1.1396164878872763
Energy: 1.4257242221051811
Energy: 1.1396164878881545
Energy: 1.4452723845332007
Energy: 1.1322520753503085
Energy: 1.3833719999328078
Energy: 1.1322520753494303
Energy: 1.4475792011901976
Energy: 1.1645341248919645
Energy: 1.4570446420127146
Energy: 1.1645341248902086
Energy: 1.4083083427014822
Energy: 1.1426245579671424
Energy: 1.465733019994482
Energy: 1.1426245579680205
Energy: 1.5160219471119774
Energy: 1.30529216354577
Energy: 1.4406844678506148
Energy: 1.30529216354577
Energy: 1.479993703121874
Energy: 1.1694213995331604
Energy: 6.163210865881341
Energy: 1.1694213995331604
Energy: 1.4750469561038275
Energy: 1.3628669030428666
Energy: 1.5217291770017447
Energy: 1.362866903043745
Energy: 7.734687503342577
Energy: 1.1946955233061594
Energy: 1.5169893884040784
Energy: 1.1946955233044032
Energy: 1.4940538091328164
Energy: 1.2666846859150072
Energy: 1.4973897651851689
Energy: 1.266684685914129
Energy: 1.5728797035774782
Energy: 1.2363576670720158
Energy: 11.059538347774028
Energy: 1.2363576670728935
Energy: 1.5389224217136073
Energy: 1.2816481974564846
Energy: 1.5211762385151253
Energy: 1.2816481974556069
Energy: 9.672483636136052
Energy: 1.19459601925975
Energy: 1.5168922777807528
Energy: 1.1945960192588723
Energy: 1.5166750561015245
Energy: 1.2188527334048007
Energy: 1.497726750535099
Energy: 1.218852733405679
Energy: 1.4802566660836944
Energy: 1.1690114742980287
Energy: 6.839039399349162
Energy: 1.1690114742997844
Energy: 1.4761022891705435
Energy: 1.2084451024873188
Energy: 1.4578033766009055
Energy: 1.208445102488197
Energy: 6.839582763412396
Energy: 1.1427686477703964
Energy: 1.4660397202706292
Energy: 1.1427686477712744
Energy: 1.468138498517962
Energy: 1.1579549457454315
Energy: 1.4411158491043852
Energy: 1.1579549457463094
Energy: 1.4452750573073447
Energy: 1.132211276399383
Energy: 1.3977698979532063
Energy: 1.1322112764011392
Energy: 1.4357507233716662
Energy: 1.1631299356817417
Energy: 1.4409135942050781
Energy: 1.1631299356826197
Energy: 1.383842465439029
Energy: 1.1327566055222111
Energy: 1.3981423469166376
Energy: 1.1327566055195772

minimum gb energy = 1.132211276399383 eV
minimum distance =  2.52340630323531 Angstroms
sigma value = 85


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

Energy: 1.6627603475373953
Energy: 1.1768790301100618
Energy: 6.938602939323811
Energy: 1.1768790301100618
Energy: 1.381046579182258
Energy: 1.2850430985720054
Energy: 1.4320699735103943
Energy: 1.2850430985819048
Energy: 8.969303393270343
Energy: 1.146545164587588
Energy: 1.6018113173733948
Energy: 1.1465451645868263
Energy: 1.406211496822116
Energy: 1.1389388444259112
Energy: 1.4320745602453808
Energy: 1.13893884442515
Energy: 1.5220842862947888
Energy: 1.0945829016529174
Energy: 5.123978292776419
Energy: 1.0945829016521562
Energy: 1.4056009873215265
Energy: 1.108012000598348
Energy: 1.373291211281587
Energy: 1.1080120005968253
Energy: 5.75015369565013
Energy: 1.079126871070395
Energy: 1.4782922490115677
Energy: 1.0791268710711566
Energy: 1.367629286796054
Energy: 1.0793233129609605
Energy: 1.374224515865985
Energy: 1.079323312961722
Energy: 1.4100947461075315
Energy: 1.0465327347610893
Energy: 1.3144269663551955
Energy: 1.0465327347610893
Energy: 1.3678788341101373
Energy: 1.0659624126613205
Energy: 1.3618065583545989
Energy: 1.0659624126597975
Energy: 1.281900460935501
Energy: 1.046428410005431
Energy: 1.3845897893200687
Energy: 1.0464284100061925
Energy: 1.374036526228046
Energy: 1.0554081292643631
Energy: 1.3491201935877806
Energy: 1.0554081292643631
Energy: 1.3312664252352093
Energy: 1.0463621658203384
Energy: 1.295235045891051
Energy: 1.046362165819577
Energy: 1.4229148201520887
Energy: 1.0827385309726028
Energy: 1.3567519551437437
Energy: 1.0827385309710797
Energy: 1.28263720235984
Energy: 1.0463779463544867
Energy: 1.3244769251106672
Energy: 1.0463779463552483
Energy: 1.3527943729975629
Energy: 1.0689731261224087
Energy: 1.3917588160588534
Energy: 1.068973126123932
Energy: 1.2880510796060034
Energy: 1.0465476143575985
Energy: 1.3086095424005402
Energy: 1.0465476143575985
Energy: 1.4209456027628211
Energy: 1.0684859965029376
Energy: 1.3572473412116364
Energy: 1.0684859965029376
Energy: 1.3146894327387628
Energy: 1.0461852164737016
Energy: 1.3004721626738234
Energy: 1.0461852164737016
Energy: 1.3450790467983431
Energy: 1.0408791333153982
Energy: 1.4401485809767003
Energy: 1.0408791333153982
Energy: 1.283569901874685
Energy: 1.0463621564597096
Energy: 1.3519895371982253
Energy: 1.0463621564597096
Energy: 1.3655289167470566
Energy: 1.0556515202551842
Energy: 1.3616636253039085
Energy: 1.0556515202567072
Energy: 1.3756225557306987
Energy: 1.0464765742962983
Energy: 1.3143105171800984
Energy: 1.046476574295537
Energy: 1.368463087002405
Energy: 1.19861611889341
Energy: 1.4003596430689333
Energy: 1.1986161188926483
Energy: 5.545318925054129
Energy: 1.0787591224828308
Energy: 1.4226510735949265
Energy: 1.0787591224820692
Energy: 1.4075521120216632
Energy: 1.2131862537850673
Energy: 1.3723479825307556
Energy: 1.2131862537850673
Energy: 1.463927224232104
Energy: 1.0937318693815756
Energy: 5.682218466020398
Energy: 1.0937318693815756
Energy: 1.3974189465729752
Energy: 1.1296609925012617
Energy: 1.3552497044295855
Energy: 1.1296609925012617
Energy: 9.66190968899507
Energy: 1.1454993835211866
Energy: 1.4849311510453134
Energy: 1.1454993835219482
Energy: 1.3815508426456407
Energy: 1.18402115419837
Energy: 1.432075580597632
Energy: 1.18402115419837
Energy: 1.5473233470552146
Energy: 1.176009322634521
Energy: 8.205904861317164
Energy: 1.1760093226337593
Energy: 1.4764587742580835
Energy: 1.1725246803629135
Energy: 1.355187840015907
Energy: 1.1725246803621518
Energy: 8.283508925380408
Energy: 1.1455602585424411
Energy: 1.485274564294682
Energy: 1.1455602585424411
Energy: 1.408246561324181
Energy: 1.1393748480545314
Energy: 1.4320275615516806
Energy: 1.1393748480552928
Energy: 1.4642192364992552
Energy: 1.0939460058874124
Energy: 5.623321567498255
Energy: 1.0939460058881738
Energy: 1.3973330299909898
Energy: 1.0922426501249853
Energy: 1.40070994417763
Energy: 1.0922426501257467
Energy: 5.793148814741802
Energy: 1.0785553529334682
Energy: 1.4223255003899564
Energy: 1.0785553529334682
Energy: 1.366796902165356
Energy: 1.0799121596501182
Energy: 1.3721696151971439
Energy: 1.0799121596501182
Energy: 1.3756412988249314
Energy: 1.046227044647773
Energy: 1.3132322050371446
Energy: 1.0462270446470117
Energy: 1.3561771875373827
Energy: 1.0492723896318181
Energy: 1.3790369549662713
Energy: 1.0492723896318181
Energy: 1.281187382411355
Energy: 1.0461262459430065
Energy: 1.3521681069809954
Energy: 1.0461262459430065
Energy: 1.365003416206332
Energy: 1.0561736334074558
Energy: 1.3502002729478788
Energy: 1.0561736334074558
Energy: 1.3145656208866552
Energy: 1.0335332590390847
Energy: 1.2950988253695488
Energy: 1.0335332590390847

minimum gb energy = 1.0335332590390847 eV
minimum distance =  2.52585618858667 Angstroms
sigma value = 113


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

Energy: 0.019687820686117186
Energy: 0.019949627130800552
Energy: 7.7670318245405365
Energy: 0.01994962713021516
Energy: 0.020002178065293946
Energy: 1.0330392140492628
Energy: 0.020002178065293946
Energy: 1.033039214049848
Energy: 12.126756526860794
Energy: 0.01994962713021516
Energy: 0.019687820686117186
Energy: 0.01994962713021516
Energy: 0.020002178065293946
Energy: 1.0330392140486773
Energy: 0.02000217806587934
Energy: 1.0330392140492628
Energy: 0.019687820686117186
Energy: 0.019949627130800552
Energy: 8.981148469716379
Energy: 0.01994962713021516
Energy: 0.020002178065293946
Energy: 1.033039214049848
Energy: 0.020002178065293946
Energy: 1.033039214049848

minimum gb energy = 0.019687820686117186 eV
minimum distance =  2.69846477639748 Angstroms
sigma value = 1