Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6150126680731782
cohesive_energy=3.540278438756699
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.90759956573942e-19, 2.52610383352878e-19, 2.98993396907178e-19, 3.36652558689348e-19, 3.68409301751862e-19, 3.9576646777741197e-19, 4.1964210397728e-19, 4.406498440022879e-19, 4.592222755436159e-19, 4.756846404579659e-19, 4.90280469593706e-19, 5.03208432853452e-19, 5.1462714572397e-19, 5.24666384512614e-19, 5.33435097230496e-19, 5.410262101223879e-19, 5.47521434196624e-19, 5.529880608718319e-19, 5.57488575036738e-19, 5.6107424634363e-19, 5.63794742268162e-19, 5.65693321579452e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.66776392984036e-19, 5.6549945820673795e-19, 5.631746999108039e-19, 5.596002438403499e-19, 5.54542172206812e-19, 5.477088888628019e-19, 5.387527214787419e-19, 5.272474910699879e-19, 5.1266928587722195e-19, 4.94370826540308e-19, 4.71546218212344e-19, 4.431892939671779e-19, 4.0802472120414597e-19, 3.64426290639738e-19, 3.1029995741331596e-19, 2.42917214717178e-19, 1.5868149644332077e-19, 5.278563181909079e-20, -8.129812741541819e-20, -2.5257673764356396e-19, -4.7374760890746e-19, -7.63083085064886e-19, -1.1475958641650818e-18, -1.66844265958224e-18, -2.39057571205872e-18, -3.42114378834654e-18, -4.9463037915501595e-18, -7.31175737398776e-18, -1.1217335289390538e-17, -1.82539188264888e-17]
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: 0.013654661298684711
Energy: 0.014960798077598035
Energy: 1.4357080554440211
Energy: 0.09404104965276452
Energy: 0.014960798077598035
Energy: 1.6706697655057674
Energy: 0.09404104965276452
Energy: 1.6706697655063947
Energy: 1.4357080554440211
Energy: 0.09404104965276452
Energy: 0.013654661298684711
Energy: 0.014960798077598035
Energy: 0.09404104965276452
Energy: 1.6706697655057674
Energy: 0.014960798077598035
Energy: 1.6706697655069869

minimum gb energy = 0.013654661298684711 eV
minimum distance =  2.46286036823854 Angstroms
sigma value = 1


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

Energy: 2.2287185252277526
Energy: 1.3182033192735079
Energy: 1.1475293931394233
Energy: 1.2825160723608502
Energy: 1.2756878088177248
Energy: 1.1237645256795985
Energy: 1.1654363677331496
Energy: 1.1237645256795985
Energy: 1.1482825992976284
Energy: 1.2833425467776716
Energy: 1.151071352647823
Energy: 1.2833425467776716
Energy: 1.2618554348784505
Energy: 1.1818822795470414
Energy: 1.1654197143869915
Energy: 1.1818822795470414
Energy: 1.239936990038822
Energy: 1.3230878130829444
Energy: 1.1296129686315843
Energy: 1.3230878130821837
Energy: 1.2621938671345827
Energy: 1.3208366217219991
Energy: 1.1435176976940102
Energy: 1.3208366217212386
Energy: 1.2573621552826397
Energy: 1.3147296615275783
Energy: 1.2410420498286376
Energy: 1.3147296615275783
Energy: 1.243904247105305
Energy: 1.2821092541077705
Energy: 1.2474761504784377
Energy: 1.2821092541077705
Energy: 1.2785961183396672
Energy: 1.314671984549549
Energy: 1.2801088379373753
Energy: 1.314671984549549
Energy: 1.2497068631976123
Energy: 1.3138895806269197
Energy: 1.2487347321430342
Energy: 1.3138895806269197
Energy: 1.247583176068246
Energy: 1.314763265887244
Energy: 1.2773499978904002
Energy: 1.3147632658864834
Energy: 1.2409547023560588
Energy: 1.3133227970280938
Energy: 1.2504470974651023
Energy: 1.3133227970288543
Energy: 1.2582905032747278
Energy: 1.3139073263266325
Energy: 1.2469904312039959
Energy: 1.3139073263266325
Energy: 1.2613593639116216
Energy: 1.3171517559589165
Energy: 1.2398030090408017
Energy: 1.3171517559581556
Energy: 1.2306366280995582
Energy: 1.1825477862745848
Energy: 1.1282851813083568
Energy: 1.1825477862738245
Energy: 1.1458825208541907
Energy: 1.1816028483862635
Energy: 1.1657005745434341
Energy: 1.1816028483855028
Energy: 1.146382953210865
Energy: 1.1301605528880616
Energy: 1.0462502212546931
Energy: 1.1301605528880616
Energy: 1.1655737948659706
Energy: 1.1617716860739995
Energy: 1.2756928125899805
Energy: 1.1617716860739995
Energy: 1.1510747443662064
Energy: 1.1483081613666404
Energy: 1.149098819345401
Energy: 1.1483081613658797
Energy: 1.262198031640164
Energy: 1.1618836117707552
Energy: 1.1625468467625206
Energy: 1.1618836117707552
Energy: 1.130406381758791
Energy: 1.1907298738123329
Energy: 1.242858039434059
Energy: 1.1907298738123329
Energy: 1.1444363906359094
Energy: 1.1834163166186775
Energy: 1.260521401480696
Energy: 1.1834163166194382
Energy: 1.241158397180607
Energy: 1.318858497534596
Energy: 1.255863299418015
Energy: 1.318858497534596
Energy: 1.2482850308367606
Energy: 1.3136959811650626
Energy: 1.2418965708822245
Energy: 1.3136959811643016
Energy: 1.2827511049086628
Energy: 1.3155700553402974
Energy: 1.2779550488582312
Energy: 1.3155700553402974
Energy: 1.2501028160627716
Energy: 1.3178998019553603
Energy: 1.2513208729779313
Energy: 1.3178998019553603
Energy: 1.2785061273533809
Energy: 1.3160366913364565
Energy: 1.249361562858712
Energy: 1.3160366913364565
Energy: 1.2480440641000574
Energy: 1.3151608982275342
Energy: 1.2484433426066575
Energy: 1.3151608982267737
Energy: 1.246807440972447
Energy: 1.3132322259398563
Energy: 1.2815034131649612
Energy: 1.313232225940617
Energy: 1.2401518453804823
Energy: 1.3131326606139035
Energy: 1.2610021711959922
Energy: 1.3131326606131426
Energy: 1.14711620871003
Energy: 1.1818599001004473
Energy: 1.2307401122134025
Energy: 1.1818599001004473
Energy: 1.165544886877401
Energy: 1.1816544856363491
Energy: 1.1456926067627164
Energy: 1.1816544856370754
Energy: 1.0465572094445807
Energy: 1.1303618171837033
Energy: 1.1473711378966032
Energy: 1.1303618171844643

minimum gb energy = 1.0462502212546931 eV
minimum distance =  2.29387194443657 Angstroms
sigma value = 1


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

Energy: 2.5184098097533316
Energy: 1.4183397684322845
Energy: 1.2247626162828722
Energy: 1.3778820525043438
Energy: 1.3678564803196065
Energy: 1.1935722759781773
Energy: 1.244303619964516
Energy: 1.1935722759799121
Energy: 1.2238015370970092
Energy: 1.2244380682376825
Energy: 1.2288972035503491
Energy: 1.224438068236815
Energy: 1.3530935903908576
Energy: 1.2634441349912644
Energy: 1.2439030782006808
Energy: 1.2634441349903973
Energy: 1.2282154103114193
Energy: 1.421996429362447
Energy: 1.2036794166051314
Energy: 1.4219964293633143
Energy: 1.352957022026765
Energy: 1.4188456827716378
Energy: 1.2227379004837455
Energy: 1.4188456827707707
Energy: 1.353561405888845
Energy: 1.4147331840814634
Energy: 1.3787465151989027
Energy: 1.414733184080596
Energy: 1.3336387424296279
Energy: 1.3818385706969323
Energy: 1.338027696821008
Energy: 1.3818385706969323
Energy: 1.3750232691150042
Energy: 1.4158632725091167
Energy: 1.4056827548837234
Energy: 1.4158632725082496
Energy: 1.3385769750758947
Energy: 1.414620882381474
Energy: 1.3340870737378232
Energy: 1.414620882380607
Energy: 1.338254891166879
Energy: 1.4141515751927667
Energy: 1.354233939274993
Energy: 1.4141515751910319
Energy: 1.3317502931959135
Energy: 1.4131155276652494
Energy: 1.3540734244090247
Energy: 1.4131155276643823
Energy: 1.2045573762099013
Energy: 1.2632342372643368
Energy: 1.3380848188765915
Energy: 1.2632342372652041
Energy: 1.2437009760603643
Energy: 1.2636625142385336
Energy: 1.223504597601205
Energy: 1.2636625142385336
Energy: 1.1087475477939408
Energy: 1.2023923051830225
Energy: 1.2234009366985064
Energy: 1.2023923051838898
Energy: 1.3672628447905593
Energy: 1.2393180467865927
Energy: 1.243708839967693
Energy: 1.2393180467839906
Energy: 1.2237277675136886
Energy: 1.2245324411897882
Energy: 1.2290403321432757
Energy: 1.2245324411906553
Energy: 1.2392278284739806
Energy: 1.2394787132491711
Energy: 1.3535787149078178
Energy: 1.2394787132474363
Energy: 1.2279187075783204
Energy: 1.2727342406083173
Energy: 1.2043392709832987
Energy: 1.2727342406091848
Energy: 1.3532944167630356
Energy: 1.2664083975942482
Energy: 1.2237788663814462
Energy: 1.2664083975925138
Energy: 1.353476185673158
Energy: 1.4192929098074862
Energy: 1.3751840572303329
Energy: 1.4192929098083538
Energy: 1.3351072717305594
Energy: 1.417762733794658
Energy: 1.3392747121419473
Energy: 1.417762733795525
Energy: 1.3750823376052506
Energy: 1.416607005140656
Energy: 1.4103436161859446
Energy: 1.4166070051415234
Energy: 1.3386602827724223
Energy: 1.4192982904463889
Energy: 1.3355526445109092
Energy: 1.4192982904455218
Energy: 1.337736461607875
Energy: 1.4140215922275494
Energy: 1.3529326222009934
Energy: 1.4140215922266821
Energy: 1.331920086215805
Energy: 1.4142427446804886
Energy: 1.3531473298002108
Energy: 1.4142427446813557
Energy: 1.2273083821230848
Energy: 1.2633464558887009
Energy: 1.3379921491009554
Energy: 1.2633464558887009
Energy: 1.2437000366111548
Energy: 1.2633448461293093
Energy: 1.2235661227039534
Energy: 1.2633448461275745
Energy: 1.1080462204034363
Energy: 1.2025137558968595
Energy: 1.2249738928810663
Energy: 1.2025137558959924

minimum gb energy = 1.1080462204034363 eV
minimum distance =  2.29254370651242 Angstroms
sigma value = 25


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

Energy: 2.5276286229858673
Energy: 1.5231251400876924
Energy: 1.324819526327412
Energy: 1.5032423624388542
Energy: 1.4185766046075847
Energy: 1.2838727524632205
Energy: 1.3458618704846028
Energy: 1.2838727524642286
Energy: 1.3239162057882174
Energy: 1.3229196674209733
Energy: 1.2505992924304417
Energy: 1.3229196674219819
Energy: 1.339478322921696
Energy: 1.435986730692134
Energy: 1.345638112239036
Energy: 1.435986730692134
Energy: 1.3902579406452105
Energy: 1.3759347147916319
Energy: 1.3067962440140601
Energy: 1.3759347147916319
Energy: 1.4726706003775412
Energy: 1.5636938845018042
Energy: 1.325503788657022
Energy: 1.5636938845007962
Energy: 1.4820710251799238
Energy: 1.5462718069137555
Energy: 1.51116703121215
Energy: 1.5462718069147638
Energy: 1.396356911405683
Energy: 1.5000982842376787
Energy: 1.462879066682393
Energy: 1.500098284238687
Energy: 1.460469002651199
Energy: 1.4776470392397312
Energy: 1.4414973563329894
Energy: 1.4776470392397312
Energy: 1.4026214935509533
Energy: 1.476641710239428
Energy: 1.4496742411531818
Energy: 1.476641710239428
Energy: 1.3676848097529795
Energy: 1.506915240339164
Energy: 1.4142849252441811
Energy: 1.5069152403401722
Energy: 1.2570793459213419
Energy: 1.529368413927983
Energy: 1.4764180406220664
Energy: 1.529368413927983
Energy: 1.1918169421194005
Energy: 1.1773428837190905
Energy: 1.177843424400278
Energy: 1.1773428837190905
Energy: 1.19161886091354
Energy: 1.1772611905608619
Energy: 1.4760178330012814
Energy: 1.1772611905608619
Energy: 1.2607488911864624
Energy: 1.4518528284072667
Energy: 1.4297351509681584
Energy: 1.4518528284072667
Energy: 1.4733074825362584
Energy: 1.5031803914471809
Energy: 1.4634803236323317
Energy: 1.5031803914461725
Energy: 1.281964726639748
Energy: 1.3791732997850896
Energy: 1.390342075562182
Energy: 1.379173299783073
Energy: 1.2809982681462284
Energy: 1.2978363302964084
Energy: 1.4796639487531424
Energy: 1.2978363302954001
Energy: 1.5109980442077833
Energy: 1.5446804715431774
Energy: 1.444470606649747
Energy: 1.5446804715431774
Energy: 1.4562128268220669
Energy: 1.5446848937434703
Energy: 1.4512519908483552
Energy: 1.5446848937434703
Energy: 1.441563518258176
Energy: 1.5458544467900284
Energy: 1.485299259476293
Energy: 1.5458544467900284
Energy: 1.3898514498912118
Energy: 1.5457814744688025
Energy: 1.4736079403602378
Energy: 1.5457814744677942
Energy: 1.3336834144104956
Energy: 1.3710636131025415
Energy: 1.3906009187793809
Energy: 1.3710636131025415
Energy: 1.3461494428407759
Energy: 1.3711913960344801
Energy: 1.3240025853971276
Energy: 1.3711913960344801
Energy: 1.2344343808765699
Energy: 1.2948987742021554
Energy: 1.31108346348423
Energy: 1.2948987742021554

minimum gb energy = 1.1772611905608619 eV
minimum distance =  2.28227675799453 Angstroms
sigma value = 9


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

Energy: 2.155620430287696
Energy: 1.263639637875209
Energy: 1.413791232582629
Energy: 1.4142454087673255
Energy: 1.601582906178777
Energy: 1.3579314640531448
Energy: 1.4401981142840676
Energy: 1.3579314640531448
Energy: 1.4134084161358602
Energy: 1.413807142865479
Energy: 1.4297120910508008
Energy: 1.41380714433095
Energy: 1.4289523772731094
Energy: 1.474447212640504
Energy: 1.4401459300332131
Energy: 1.474447212640504
Energy: 1.4229027043006697
Energy: 1.4743252860394453
Energy: 1.401373272561631
Energy: 1.4743252860394453
Energy: 1.5877628390959573
Energy: 1.6363574211548388
Energy: 1.4230006051793476
Energy: 1.6363574211560412
Energy: 1.543215367883661
Energy: 1.678580170498817
Energy: 1.568789673184417
Energy: 1.678580170498817
Energy: 1.5695030952778102
Energy: 1.6821462158846368
Energy: 1.586709709693543
Energy: 1.6821462158846368
Energy: 1.4008841229436653
Energy: 1.4742678223014811
Energy: 1.2529217497888483
Energy: 1.4742678223014811
Energy: 1.4402150840879826
Energy: 1.4742467310033323
Energy: 1.4145667702538123
Energy: 1.4742467310033323
Energy: 1.2525682570857912
Energy: 1.3736246832629315
Energy: 1.4125698584072897
Energy: 1.3736246832629315
Energy: 1.6015568289106903
Energy: 1.4291425979698917
Energy: 1.440136947598535
Energy: 1.429142597968689
Energy: 1.4139885616492245
Energy: 1.3729400318189107
Energy: 1.3742029147352828
Energy: 1.3729400318189107
Energy: 1.430518856802625
Energy: 1.4290190402700513
Energy: 1.58929702777823
Energy: 1.4290190402700513
Energy: 1.6129131316718575
Energy: 1.4743763452531875
Energy: 1.4011566040357104
Energy: 1.4743763452531875
Energy: 1.5865831937015014
Energy: 1.4744364519163087
Energy: 1.4020188749852285
Energy: 1.4744364519163087
Energy: 1.5425754474000388
Energy: 1.681646535969642
Energy: 1.568464763347477
Energy: 1.6816465359684392
Energy: 1.5437168097575713
Energy: 1.6805707299583057
Energy: 1.586507059149582
Energy: 1.6805707299583057
Energy: 1.4367306759058973
Energy: 1.4742475033596565
Energy: 1.2526961894569826
Energy: 1.4742475033608593
Energy: 1.4403407993831903
Energy: 1.4742117730652056
Energy: 1.4159237669656588
Energy: 1.4742117730652056
Energy: 1.2525521330586398
Energy: 1.3734746199480368
Energy: 1.3729315159850684
Energy: 1.3734746199504422

minimum gb energy = 1.2525521330586398 eV
minimum distance =  2.29117945699534 Angstroms
sigma value = 25


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

Energy: 1.8329349746220682
Energy: 1.3437918280041448
Energy: 1.5359863880327278
Energy: 1.534176744166723
Energy: 1.762262769801475
Energy: 1.4101823554314388
Energy: 1.5626111793408028
Energy: 1.4101823554314388
Energy: 1.5351456675848298
Energy: 1.5342514802671394
Energy: 1.679002931610497
Energy: 1.5342514802820135
Energy: 1.5495072849441798
Energy: 1.4104754977728495
Energy: 1.5625281258845292
Energy: 1.4104754977728495
Energy: 1.5277585509411675
Energy: 1.605932327274217
Energy: 1.5272619743451394
Energy: 1.605932327274217
Energy: 1.7659305842021158
Energy: 1.6058541873220278
Energy: 1.528517047155284
Energy: 1.6058541873220278
Energy: 1.7166102986882812
Energy: 1.6069050496412962
Energy: 1.5269629969124734
Energy: 1.6069050496412962
Energy: 1.537477293925266
Energy: 1.6056201658557794
Energy: 1.5626712076269904
Energy: 1.6056201658557794
Energy: 1.4730447970215872
Energy: 1.4726176263242174
Energy: 1.6062522986716965
Energy: 1.4726176263242174
Energy: 1.4849291873176544
Energy: 1.4725834668222222
Energy: 1.7618175670133067
Energy: 1.4725834668222222
Energy: 1.6788497797751731
Energy: 1.4717352710215104
Energy: 1.5361703348219107
Energy: 1.4717352710215104
Energy: 1.6928839462238487
Energy: 1.5495222234673964
Energy: 1.4732274286741152
Energy: 1.5495222234673964
Energy: 1.5633079529688358
Energy: 1.615074777884196
Energy: 1.5273835562064373
Energy: 1.615074777884196
Energy: 1.5273983811089364
Energy: 1.606042840224433
Energy: 1.7675085400757629
Energy: 1.606042840224433
Energy: 1.5281113856496082
Energy: 1.6059088038281895
Energy: 1.713016625325305
Energy: 1.6059088038281895
Energy: 1.5630006923264295
Energy: 1.606931596655871
Energy: 1.713180773186429
Energy: 1.606931596655871
Energy: 1.6864284311085869
Energy: 1.4724801461049555
Energy: 1.4712016700567567
Energy: 1.4724801461049555

minimum gb energy = 1.3437918280041448 eV
minimum distance =  2.28903686102723 Angstroms
sigma value = 17


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

Energy: 1.7745796926164412
Energy: 1.5135619684408548
Energy: 1.679738387477106
Energy: 1.6764446604025616
Energy: 1.554978095386303
Energy: 1.5097996485828369
Energy: 1.7014680244971492
Energy: 1.5097996485828369
Energy: 1.4456105845669476
Energy: 1.4445844080169767
Energy: 1.801068641903338
Energy: 1.444584408016173
Energy: 1.444690705348575
Energy: 1.6892204684180536
Energy: 1.801468349780857
Energy: 1.6892204684188958
Energy: 1.758936583289546
Energy: 1.761876167505745
Energy: 1.6147133836336622
Energy: 1.761876167505745
Energy: 1.645278015336807
Energy: 1.7648876790338799
Energy: 1.5736917094866256
Energy: 1.7648876790338799
Energy: 1.900023051490949
Energy: 1.4437240363602737
Energy: 1.4474936431887373
Energy: 1.4437240363611161
Energy: 1.8357848125631024
Energy: 1.4436596152450225
Energy: 1.5049030260172322
Energy: 1.443659615245865
Energy: 1.6525998672493103
Energy: 1.5929316721723024
Energy: 1.8471814096138282
Energy: 1.5929316721723024
Energy: 1.5928166972989093
Energy: 1.593003000135088
Energy: 1.759762898946563
Energy: 1.5930030001359305
Energy: 1.7595318221854415
Energy: 1.648198674493866
Energy: 1.5479230199238008
Energy: 1.648198674493866
Energy: 1.8982412247057543
Energy: 1.5712710695474963
Energy: 1.5013521848525069
Energy: 1.5712710695466539
Energy: 1.884709039239509
Energy: 1.5718081874821286
Energy: 1.5017401480901893
Energy: 1.5718081874821286
Energy: 1.8999056106775585
Energy: 1.5713527315251745
Energy: 1.5481770632923717
Energy: 1.5713527315251745
Energy: 1.5928025035931972
Energy: 1.5921280158621867
Energy: 1.7308774567745782
Energy: 1.5921280158621867
Energy: 1.6528340782171531
Energy: 1.5922981292240455
Energy: 1.6841650181122523
Energy: 1.592298129223203
Energy: 1.8021938680318121
Energy: 1.4447011375828864
Energy: 1.5054665607046462
Energy: 1.4447011375828864
Energy: 1.640230231358739
Energy: 1.4446715958452137
Energy: 1.4436216767918515
Energy: 1.4446715958443712
Energy: 1.800841385669407
Energy: 1.7620515974073137
Energy: 1.7577127619706632
Energy: 1.7620515974073137
Energy: 1.6650392511737035
Energy: 1.765686949451349
Energy: 1.752264723853183
Energy: 1.7656869494521914
Energy: 1.445292343065803
Energy: 1.509679611503501
Energy: 1.8357793757547418
Energy: 1.509679611503501
Energy: 1.4445518869576446
Energy: 1.4575543094373915
Energy: 1.894791590865645
Energy: 1.4575543094373915
Energy: 1.7426751291598441
Energy: 1.5941733973672279
Energy: 1.6532765788755472
Energy: 1.5941733973672279
Energy: 1.8464444039355787
Energy: 1.5932466291177014
Energy: 1.5938377855570174
Energy: 1.5932466291177014
Energy: 1.4092934051203747
Energy: 1.7044352982817728
Energy: 1.7057590531875488
Energy: 1.7044352982809303
Energy: 1.50159409006254
Energy: 1.5718952242346593
Energy: 1.758369988644397
Energy: 1.5718952242346593
Energy: 1.5161522182033553
Energy: 1.7662748524502532
Energy: 1.8975716415095127
Energy: 1.7662748524502532
Energy: 1.5053840112494743
Energy: 1.5717420732590257
Energy: 1.8957285051069976
Energy: 1.5717420732590257
Energy: 1.6629295490827583
Energy: 1.7080976138526984
Energy: 1.4997137667692904
Energy: 1.7080976138535409
Energy: 1.6838755281863926
Energy: 1.5926487900311355
Energy: 1.5942525023051188
Energy: 1.5926487900311355

minimum gb energy = 1.4092934051203747 eV
minimum distance =  2.2832803800682 Angstroms
sigma value = 53


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

Energy: 2.3141947125025593
Energy: 1.386413477135446
Energy: 1.6402056253225024
Energy: 1.637186569029858
Energy: 1.8236090164308576
Energy: 1.5237214395963123
Energy: 1.5436282215511845
Energy: 1.5237214395963123
Energy: 1.6383807165555697
Energy: 1.523941717485248
Energy: 1.5463441101643383
Energy: 1.523941717485248
Energy: 1.523465921962809
Energy: 1.4362418436148319
Energy: 1.6925464583717447
Energy: 1.4362418436167712
Energy: 1.5488100440185455
Energy: 1.4357297341227695
Energy: 1.3660790575927642
Energy: 1.4357297341227695
Energy: 1.6716857643505452
Energy: 1.4371594768290181
Energy: 1.3661347310609324
Energy: 1.4371594768290181
Energy: 1.6715311646086626
Energy: 1.5238588150046937
Energy: 1.5260919211327617
Energy: 1.5238588150046937
Energy: 1.67156839077145
Energy: 1.524680807080739
Energy: 1.5435795181453067
Energy: 1.524680807080739
Energy: 1.5264638083838296
Energy: 1.524164763880499
Energy: 1.5472180123172703
Energy: 1.524164763880499
Energy: 1.523992726115881
Energy: 1.5235942676878156
Energy: 1.6926037418748099
Energy: 1.5235942676878156
Energy: 1.5445568068505906
Energy: 1.4368052161671028
Energy: 1.3660772294728931
Energy: 1.4368052161651634
Energy: 1.6740347512983802
Energy: 1.4355173289810885
Energy: 1.370828890941913
Energy: 1.4355173289830274
Energy: 1.6716987969006827
Energy: 1.523185780281344
Energy: 1.522890573374852
Energy: 1.523185780281344

minimum gb energy = 1.3660772294728931 eV
minimum distance =  2.28290501799948 Angstroms
sigma value = 9


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

Energy: 2.1857463418037524
Energy: 1.5729935733029259
Energy: 1.7865689976788282
Energy: 1.783040550394708
Energy: 1.7313419547666395
Energy: 1.9352717906238857
Energy: 1.7554844434822423
Energy: 1.9352717906238857
Energy: 1.4737621754254542
Energy: 1.4743148836125892
Energy: 1.906167160626038
Energy: 1.4743148836125892
Energy: 1.4761539202550737
Energy: 1.4740928343341244
Energy: 1.8766077664477072
Energy: 1.4740928343341244
Energy: 1.4762981887083044
Energy: 1.4730583759645814
Energy: 1.7286653487244206
Energy: 1.4730583759652993
Energy: 1.5837326016479807
Energy: 1.6912918510010007
Energy: 1.7182553016195405
Energy: 1.6912918510010007
Energy: 1.9222329521189154
Energy: 1.6384443634573673
Energy: 1.7556754841819255
Energy: 1.6384443634573673
Energy: 1.756760812661196
Energy: 1.637804653466755
Energy: 1.6389383066309609
Energy: 1.6378046534674724
Energy: 1.6134705139545578
Energy: 1.9009728762037945
Energy: 1.6352586331671166
Energy: 1.9009728762030766
Energy: 1.493292450415647
Energy: 1.6834426409063834
Energy: 1.8594838256508652
Energy: 1.6834426409056655
Energy: 1.50402094005395
Energy: 1.5038232971647503
Energy: 1.8643065016517455
Energy: 1.5038232971640326
Energy: 1.5859009170384604
Energy: 1.504415964127866
Energy: 2.0327517845087657
Energy: 1.504415964127148
Energy: 1.7556187742960543
Energy: 1.504511022824657
Energy: 1.7706141684936036
Energy: 1.504511022825375
Energy: 1.754568540907757
Energy: 1.5049244862859197
Energy: 1.5073912649718817
Energy: 1.504924486285202
Energy: 1.7594449856277636
Energy: 1.6835365726348617
Energy: 1.635493896462677
Energy: 1.6835365726348617
Energy: 1.773762057024479
Energy: 1.7086516280819835
Energy: 1.642478955251863
Energy: 1.7086516280834192
Energy: 1.6446715069875397
Energy: 1.8980428361910626
Energy: 1.5831399425920913
Energy: 1.8980428361910626
Energy: 1.6376763373793959
Energy: 1.6382257639061024
Energy: 2.03568455598964
Energy: 1.6382257639061024
Energy: 1.756862065098184
Energy: 1.7645582910096052
Energy: 1.7237008983105266
Energy: 1.7645582910096052
Energy: 1.9089801122038486
Energy: 1.6914706184094315
Energy: 1.4738598566848793
Energy: 1.6914706184094315
Energy: 1.8782300929974156
Energy: 1.4739659316799392
Energy: 1.4757093680320268
Energy: 1.4739659316799392
Energy: 1.7244525888823958
Energy: 1.472997900416703
Energy: 1.4744083911596437
Energy: 1.4729979004152676
Energy: 1.7292109975976437
Energy: 1.6915142120907407
Energy: 1.5824073058524173
Energy: 1.691514212090023
Energy: 1.7567020258262724
Energy: 1.6380877746241735
Energy: 1.7564154865034804
Energy: 1.6380877746241735
Energy: 1.63946185930595
Energy: 1.6380056459157064
Energy: 1.7567985199477016
Energy: 1.6380056459157064
Energy: 1.6360845122618506
Energy: 1.8954928087876828
Energy: 1.541327061339069
Energy: 1.8954928087869647
Energy: 1.842417509947512
Energy: 1.6840591931228837
Energy: 1.4926899789979207
Energy: 1.6840591931221658
Energy: 1.9476584136042312
Energy: 1.5042866165586541
Energy: 1.5051059952297567
Energy: 1.5042866165586541
Energy: 2.033525919959387
Energy: 1.5280542819147558
Energy: 1.5040293902345947
Energy: 1.5280542819147558
Energy: 1.7712271937981454
Energy: 1.5046095437518388
Energy: 1.7563044733591817
Energy: 1.5046095437525564
Energy: 1.5068015255288925
Energy: 1.5050996478441554
Energy: 1.9036897262302137
Energy: 1.5050996478441554
Energy: 1.5058732051893837
Energy: 1.6734466364127945
Energy: 1.760061272975075
Energy: 1.673446636412077
Energy: 1.6393895476852027
Energy: 1.7239133163913753
Energy: 1.7736338190057956
Energy: 1.7239133163913753
Energy: 1.5809035402805498
Energy: 1.901773741869977
Energy: 1.6438798645916777
Energy: 1.901773741869977
Energy: 2.0338592778875526
Energy: 1.6379986507402622
Energy: 1.6372798718022321
Energy: 1.6379986507409796

minimum gb energy = 1.4729979004152676 eV
minimum distance =  2.27243880454535 Angstroms
sigma value = 73


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

Energy: 2.0631708780955154
Energy: 1.4819070793393512
Energy: 1.5679909235774003
Energy: 1.5668927417304803
Energy: 1.7213918156395565
Energy: 1.7794587674840496
Energy: 1.726372807482787
Energy: 1.7794587674851883
Energy: 1.4862059853071143
Energy: 1.4872636638700554
Energy: 1.7400857730584216
Energy: 1.4872636638700554
Energy: 1.4862449254197705
Energy: 1.4866555379237885
Energy: 1.678502928800545
Energy: 1.4866555379237885
Energy: 1.4872019086219936
Energy: 1.4871861881918542
Energy: 1.677120178200547
Energy: 1.4871861881907154
Energy: 1.6090691728706534
Energy: 1.7790596631213267
Energy: 1.6773153190961425
Energy: 1.7790596631201878
Energy: 1.727656074568179
Energy: 1.5670942437416089
Energy: 1.7267568244645124
Energy: 1.5670942437416089
Energy: 1.7282319596118643
Energy: 1.566199330891417
Energy: 1.5665102442838938
Energy: 1.566199330891417
Energy: 1.6189654400566877
Energy: 1.802564537271117
Energy: 1.7417968710868275
Energy: 1.802564537271117
Energy: 1.5176502245900905
Energy: 1.8026071667384225
Energy: 1.5680369293159133
Energy: 1.8026071667384225
Energy: 1.5663162301556446
Energy: 1.5668757412997953
Energy: 1.7596200507986532
Energy: 1.5668757412997953
Energy: 1.5980910453098158
Energy: 1.5676708071359904
Energy: 1.959675878351013
Energy: 1.5676708071359904
Energy: 1.7121645948592346
Energy: 1.7790671272521235
Energy: 1.6099433761709592
Energy: 1.7790671272521235
Energy: 1.7403593804710376
Energy: 1.4865533441459462
Energy: 1.486176379026725
Energy: 1.4865533441459462
Energy: 1.6791871926993835
Energy: 1.5361569564151496
Energy: 1.487414114622807
Energy: 1.5361569564151496
Energy: 1.9595622730062126
Energy: 1.486997795747562
Energy: 1.4875134865278163
Energy: 1.486997795747562
Energy: 1.677338281227942
Energy: 1.7794158551441828
Energy: 1.6086260925294558
Energy: 1.7794158551441828
Energy: 1.596554434144677
Energy: 1.5674965436258328
Energy: 1.889153126016054
Energy: 1.5674965436258328
Energy: 1.5677539590030092
Energy: 1.5668828251477998
Energy: 1.7281754567395275
Energy: 1.5668828251477998
Energy: 1.7433482210898674
Energy: 1.802277482063958
Energy: 1.6191331338265513
Energy: 1.802277482063958
Energy: 1.567010474174506
Energy: 1.80246594923979
Energy: 1.5172078215295632
Energy: 1.802465949240929
Energy: 1.9576412675001682
Energy: 1.5672862813090471
Energy: 1.568084422966029
Energy: 1.5672862813090471

minimum gb energy = 1.4819070793393512 eV
minimum distance =  2.27900243328418 Angstroms
sigma value = 7


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

Energy: 2.6941483301244364
Energy: 1.5135385257004301
Energy: 1.7676229344786778
Energy: 1.5795075231178097
Energy: 1.7025965251199295
Energy: 2.0047792114305443
Energy: 1.7244263667896444
Energy: 2.00477921143296
Energy: 1.5733818896722194
Energy: 1.5321678517691213
Energy: 1.7223590225632175
Energy: 1.532167851770732
Energy: 1.533531656657713
Energy: 1.5316888131878683
Energy: 1.707383954256021
Energy: 1.5316888131854527
Energy: 1.4991399548921824
Energy: 1.4959079124072534
Energy: 1.8822098696437797
Energy: 1.495907912406448
Energy: 1.7547208993659273
Energy: 1.7585775461261945
Energy: 1.8396738117417237
Energy: 1.7585775461261945
Energy: 1.840036363171325
Energy: 1.7583366344737794
Energy: 1.7523984697631207
Energy: 1.7583366344745845
Energy: 1.7157045058689047
Energy: 1.4959835122793206
Energy: 1.4967456131725128
Energy: 1.4959835122777099
Energy: 1.7632757553384772
Energy: 1.5306253623020005
Energy: 1.5322518774851794
Energy: 1.5306253623011952
Energy: 1.8848765398722127
Energy: 2.053990861023092
Energy: 1.5121906782024985
Energy: 2.053990861026313
Energy: 1.718482755185921
Energy: 1.5792511959867113
Energy: 1.7505718950837306
Energy: 1.5792511959867113
Energy: 1.5791174331311535
Energy: 1.5797306809544938
Energy: 1.838772866799521
Energy: 1.5797306809520781
Energy: 1.5815588297286634
Energy: 1.750147407062063
Energy: 1.5835554493336113
Energy: 1.750147407065284
Energy: 1.727155220238304
Energy: 1.6183880645455833
Energy: 1.566143270412221
Energy: 1.618388064544778
Energy: 1.5810619113953528
Energy: 1.7783535972442512
Energy: 1.5721281946492236
Energy: 1.7783535972402251
Energy: 1.760599328860352
Energy: 1.5792358592862403
Energy: 1.5779268027659032
Energy: 1.5792358592902669
Energy: 1.7607397340147644
Energy: 1.578161555845802
Energy: 1.7175000862866099
Energy: 1.5781615558449968
Energy: 1.5080714088644063
Energy: 2.052741824377219
Energy: 1.722478567894226
Energy: 2.052741824377219
Energy: 1.5334074332037848
Energy: 1.5310408087292222
Energy: 1.7203942501351686
Energy: 1.5310408087316378
Energy: 1.4961145240356386
Energy: 1.4952213810417938
Energy: 1.7600874140443505
Energy: 1.4952213810401833
Energy: 1.7521114181949051
Energy: 1.7584955068514796
Energy: 1.8812272733546196
Energy: 1.7584955068538952
Energy: 1.8096715306779545
Energy: 1.7579608996634788
Energy: 1.7526062212777895
Energy: 1.7579608996634788
Energy: 1.8088294439345103
Energy: 1.4964624035796266
Energy: 1.4982101314445022
Energy: 1.496462403580432
Energy: 1.7625790755422137
Energy: 1.531388687864317
Energy: 1.5343679388967764
Energy: 1.531388687863512
Energy: 1.88284495388508
Energy: 1.7393484066098819
Energy: 1.5309562274630195
Energy: 1.7393484066090765
Energy: 1.6670865797528782
Energy: 2.001379665205252
Energy: 1.6171458652292043
Energy: 2.001379665203678
Energy: 1.5773795733604328
Energy: 1.578878783131161
Energy: 2.3181533876462317
Energy: 1.5788787831287452
Energy: 1.5792281498940126
Energy: 1.749725226072315
Energy: 1.5785565306958251
Energy: 1.7497252260707044
Energy: 1.7239275734597117
Energy: 1.7853302217419196
Energy: 1.6250828891459173
Energy: 1.7853302217411142
Energy: 1.578953083213419
Energy: 1.777943765990349
Energy: 1.5668237664272975
Energy: 1.7779437659895436
Energy: 1.7606056112756072
Energy: 1.578439552492091
Energy: 1.5818779861403707
Energy: 1.5784395524904804

minimum gb energy = 1.4952213810401833 eV
minimum distance =  2.27391030666006 Angstroms
sigma value = 29


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

Energy: 1.5090186723370445
Energy: 1.5096045817238584
Energy: 1.6626484188943165
Energy: 1.7779664290787687
Energy: 1.4400407191147315
Energy: 1.5133884020428752
Energy: 1.4484387578133409
Energy: 1.5133884020428752
Energy: 1.4499732308477413
Energy: 1.5608552430705886
Energy: 1.4800950447905055
Energy: 1.560855243070869
Energy: 1.4392122731958386
Energy: 1.5259437279259824
Energy: 1.448891278884558
Energy: 1.525943727925702
Energy: 1.4808503467981118
Energy: 1.4810416420569423
Energy: 1.509648005658622
Energy: 1.4810458676994234
Energy: 1.4485331332086628
Energy: 1.5599349726589904
Energy: 1.5098331470411392
Energy: 1.5599349726589904
Energy: 1.4807591264210744
Energy: 1.560501199222826
Energy: 1.449271989257137
Energy: 1.5605011992231066
Energy: 1.4486672955549207
Energy: 1.480700994620759
Energy: 1.4414435865485709
Energy: 1.4807009946213203
Energy: 1.4395205769524368
Energy: 1.4802017109450905
Energy: 1.4790185201722736
Energy: 1.4802017109442804

minimum gb energy = 1.4392122731958386 eV
minimum distance =  2.26106865579787 Angstroms
sigma value = 5


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

Energy: 2.210633318605789
Energy: 1.4555434720909848
Energy: 1.459085768356357
Energy: 1.467830115221376
Energy: 1.7331708962844294
Energy: 1.4566050372757116
Energy: 1.669007809208328
Energy: 1.4566050372757116
Energy: 1.6878079104102652
Energy: 1.4548321560778612
Energy: 1.6972594082307861
Energy: 1.4548321560801432
Energy: 1.5825873032552706
Energy: 1.5988173597848616
Energy: 1.7652741178744347
Energy: 1.5988173597863826
Energy: 1.6755200935359984
Energy: 1.4579116543777997
Energy: 1.8069497807994215
Energy: 1.4579116543777997
Energy: 1.4627010253380113
Energy: 1.4578601243585378
Energy: 1.8050844622459914
Energy: 1.4578601243600247
Energy: 1.4482323938309531
Energy: 1.4475969362795464
Energy: 1.7759455504193526
Energy: 1.4475969362795464
Energy: 1.4671016914496937
Energy: 1.6216696440719875
Energy: 1.8833867494360208
Energy: 1.6216696440719875
Energy: 1.7278486134292261
Energy: 1.5919358123404463
Energy: 1.8126969197157354
Energy: 1.5919358123419678
Energy: 1.8904671144598135
Energy: 1.6648708617574146
Energy: 1.4279874791434142
Energy: 1.6648708617574146
Energy: 1.7237406467750527
Energy: 1.4228950566422178
Energy: 1.4226724076903783
Energy: 1.4228950566422178
Energy: 1.8792445356975374
Energy: 1.4270435080864448
Energy: 1.431599327731045
Energy: 1.427043508085684
Energy: 1.883416900428859
Energy: 1.8053245547416366
Energy: 1.6455953065110047
Energy: 1.8053245547408763
Energy: 1.7196564191376444
Energy: 1.8267754029798604
Energy: 1.8149802676685236
Energy: 1.826775402980621
Energy: 1.5442792575596915
Energy: 1.5638055070118722
Energy: 1.814480043431803
Energy: 1.5638055070095902
Energy: 1.525190420207303
Energy: 1.419150380854221
Energy: 1.6897238156072256
Energy: 1.41915038085346
Energy: 1.5128650250953817
Energy: 1.413141850620824
Energy: 1.7540425917209568
Energy: 1.4131418506200633
Energy: 1.7205710380974055
Energy: 1.3993937067314595
Energy: 1.6829861623341749
Energy: 1.39939370673222
Energy: 1.7989174885820398
Energy: 1.4287163756275545
Energy: 1.5519888639134145
Energy: 1.4287163756275545
Energy: 1.7256163864283487
Energy: 1.6237266820677647
Energy: 1.5815323471705272
Energy: 1.6237266820692864
Energy: 1.7900710164923728
Energy: 1.622082973654644
Energy: 1.5536989327317856
Energy: 1.622082973656165
Energy: 1.8086253813122557
Energy: 1.4782681212612068
Energy: 1.48323388133168
Energy: 1.4782681212612068
Energy: 1.7943594737293826
Energy: 1.4486974167938742
Energy: 1.461456704489381
Energy: 1.4486974167931135
Energy: 1.883722565034203
Energy: 1.4891368855571088
Energy: 1.4887715249137965
Energy: 1.4891368855563483
Energy: 1.8081767674584182
Energy: 1.595674967400584
Energy: 1.6964339858773467
Energy: 1.5956749674021053
Energy: 1.4156172148350206
Energy: 1.5893182694676131
Energy: 1.8902562137650214
Energy: 1.5893182694645704
Energy: 1.409617479868031
Energy: 1.4096928614063098
Energy: 1.7089458895387575
Energy: 1.4096928614070703
Energy: 1.410832925370771
Energy: 1.409045914282077
Energy: 1.6934514411620196
Energy: 1.409045914282077
Energy: 1.6614590125082462
Energy: 1.652008937999125
Energy: 1.8862630138193346
Energy: 1.652008937999125
Energy: 1.8139242288226203
Energy: 1.7079248080481628
Energy: 1.6926657746583758
Energy: 1.707924808048923
Energy: 1.8079854276564176
Energy: 1.4556936567576044
Energy: 1.457747253572946
Energy: 1.4556936567568437
Energy: 1.7751830282047925
Energy: 1.4448506208965464
Energy: 1.45583594404532
Energy: 1.4448506208957856
Energy: 1.7406594189905193
Energy: 1.4601544155357742
Energy: 1.4533241650991398
Energy: 1.460154415536535

minimum gb energy = 1.3993937067314595 eV
minimum distance =  2.27481854238251 Angstroms
sigma value = 1


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

Energy: 2.1826864220073228
Energy: 1.378630197438458
Energy: 1.4028595040167098
Energy: 1.3988047791468396
Energy: 1.7314220569233922
Energy: 1.377161288301833
Energy: 1.6878371713371636
Energy: 1.377161288301833
Energy: 1.6860797460343961
Energy: 1.375533558908277
Energy: 1.692511938030995
Energy: 1.375533558909329
Energy: 1.3920450204839088
Energy: 1.3753312730385527
Energy: 1.824085481953404
Energy: 1.375331273037501
Energy: 1.693752752939876
Energy: 1.4009033865313183
Energy: 1.861171586385097
Energy: 1.4009033865313183
Energy: 1.398434685646878
Energy: 1.3999446256522152
Energy: 1.860832608154554
Energy: 1.3999446256532673
Energy: 1.3644473253826594
Energy: 1.3753718440204545
Energy: 1.8237667074261574
Energy: 1.3753718440215064
Energy: 1.3955710351755735
Energy: 1.4290763332466352
Energy: 1.9812722853737545
Energy: 1.4290763332445318
Energy: 1.8270082931843459
Energy: 1.4076713992775212
Energy: 1.9159603692473905
Energy: 1.4076713992775212
Energy: 1.785612285188532
Energy: 1.4223108973616552
Energy: 1.395675513936758
Energy: 1.4223108973563963
Energy: 1.824454327844291
Energy: 1.3637676584414744
Energy: 1.3635400265062652
Energy: 1.3637676584404224
Energy: 1.9807335024319985
Energy: 1.3991514150415052
Energy: 1.4036796725989027
Energy: 1.3991514150404536
Energy: 1.979712640978635
Energy: 1.3963084229739304
Energy: 1.6879550923394222
Energy: 1.3963084229728788
Energy: 1.8256862621516408
Energy: 1.3754917442418095
Energy: 1.7184831276730665
Energy: 1.3754917442439127
Energy: 1.3945742899503588
Energy: 1.467463737762781
Energy: 1.7174830987516085
Energy: 1.4674637377648845
Energy: 1.4503033909448217
Energy: 1.376420340755184
Energy: 1.8252957369227236
Energy: 1.376420340755184
Energy: 1.4180526257572732
Energy: 1.3708380064197154
Energy: 1.8602051078258448
Energy: 1.370838006420767
Energy: 1.399425346811973
Energy: 1.394502615352951
Energy: 1.8276475345603918
Energy: 1.394502615352951
Energy: 1.3644149166290729
Energy: 1.3649836370518622
Energy: 1.91515546695089
Energy: 1.3649836370518622
Energy: 1.3950492542670228
Energy: 1.4222311180379505
Energy: 1.9809567070600407
Energy: 1.422231118036899
Energy: 1.7167811692490305
Energy: 1.4216231425288215
Energy: 1.8241550044118406
Energy: 1.4216231425288215
Energy: 1.68989063117855
Energy: 1.3769167410465784
Energy: 1.397195302282706
Energy: 1.3769167410476304
Energy: 1.8259871979989244
Energy: 1.3754412957134385
Energy: 1.4031342065072536
Energy: 1.3754412957134385
Energy: 1.9798421742786239
Energy: 1.4053592559178762
Energy: 1.3993417213288235
Energy: 1.4053592559178762

minimum gb energy = 1.3635400265062652 eV
minimum distance =  2.27557699888101 Angstroms
sigma value = 17


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

Energy: 2.3290125147903797
Energy: 1.3374119595994143
Energy: 1.7094771920356189
Energy: 1.3787340415017384
Energy: 1.8995860397672562
Energy: 1.338733255808064
Energy: 1.5814104247960359
Energy: 1.338733255806764
Energy: 1.7321445772929411
Energy: 1.3358652818389611
Energy: 1.5437544505137313
Energy: 1.3358652818409114
Energy: 1.7381606607909745
Energy: 1.3257655139187954
Energy: 1.7785867133456463
Energy: 1.325765513915545
Energy: 1.8732546367329816
Energy: 1.3269320876191695
Energy: 1.899422718594564
Energy: 1.3269320876191695
Energy: 1.3402905634751088
Energy: 1.3262256973931814
Energy: 1.979658092330304
Energy: 1.3262256973931814
Energy: 1.3436155953693172
Energy: 1.3261141084186183
Energy: 1.8932416259048472
Energy: 1.3261141084179684
Energy: 1.3514473621784535
Energy: 1.3274633343051316
Energy: 2.063794281924412
Energy: 1.3274633343057816
Energy: 1.8681836518471509
Energy: 1.3356540535789332
Energy: 1.9006431640564327
Energy: 1.3356540535789332
Energy: 1.5875886122448875
Energy: 1.3260004568160122
Energy: 1.5693604974054576
Energy: 1.3260004568192623
Energy: 1.8758743077250368
Energy: 1.3373438714411598
Energy: 1.343735131151159
Energy: 1.3373438713618513
Energy: 1.9781592683977938
Energy: 1.3923631974704742
Energy: 1.5894279445782191
Energy: 1.392363197468524
Energy: 1.9742132322936152
Energy: 1.335834466948389
Energy: 1.3973242497014726
Energy: 1.335834466948389
Energy: 1.9544693857251656
Energy: 1.336441293379782
Energy: 1.3385766678095121
Energy: 1.3364412933784817
Energy: 1.736058751668847
Energy: 1.3380351319542199
Energy: 1.358846566246026
Energy: 1.3380351319529196
Energy: 2.0374463607909608
Energy: 1.3685136671491125
Energy: 1.952440517273795
Energy: 1.3685136671478124
Energy: 1.3540131229750973
Energy: 1.37475759497915
Energy: 1.9027931215242553
Energy: 1.3747575949726496
Energy: 1.3309243510774147
Energy: 1.329803613966774
Energy: 1.9563566519611826
Energy: 1.329803613967424
Energy: 1.4003904544684727
Energy: 1.3772923935409747
Energy: 1.8976337270252348
Energy: 1.3772923935403245
Energy: 1.585671689111373
Energy: 1.336787372625531
Energy: 2.0642915870070158
Energy: 1.336787372626181
Energy: 1.5808910042070319
Energy: 1.337711210482718
Energy: 1.9595533804657488
Energy: 1.337711210482718
Energy: 1.56451319265091
Energy: 1.3386042701008785
Energy: 1.735942874133809
Energy: 1.3386042701008785
Energy: 1.89209231893616
Energy: 1.3256105173189923
Energy: 1.7360654638327542
Energy: 1.3256105173189923
Energy: 1.899485762683284
Energy: 1.3270647154544004
Energy: 1.8785376020316524
Energy: 1.3270647154550503
Energy: 1.9775612419478197
Energy: 1.326215438706418
Energy: 1.3411161102276652
Energy: 1.3262154387070682
Energy: 1.8958360351959727
Energy: 1.326534647061516
Energy: 1.3338511902501657
Energy: 1.3265346470621662
Energy: 2.050371251392807
Energy: 1.3282852534489362
Energy: 1.325578570224296
Energy: 1.3282852534489362
Energy: 1.8961391437599497
Energy: 1.3273926730334629
Energy: 1.869638715583715
Energy: 1.3273926730328127
Energy: 1.5708219418836855
Energy: 1.3259745028695649
Energy: 1.5436183350774344
Energy: 1.325974502867615
Energy: 1.345020753481465
Energy: 1.3371499956377257
Energy: 1.8789037757770235
Energy: 1.337149995640326
Energy: 1.5902215705703782
Energy: 1.3927582387935988
Energy: 1.9807562175696787
Energy: 1.3927582387935988
Energy: 1.4074440508528394
Energy: 1.3593737481229904
Energy: 1.981535923331534
Energy: 1.35937374812169
Energy: 1.3366425963592417
Energy: 1.3358480334239164
Energy: 1.9520188151554354
Energy: 1.3358480334245666
Energy: 1.3627583263318026
Energy: 1.5577073904707974
Energy: 1.7384041504674024
Energy: 1.5577073904688474
Energy: 1.9538750872050283
Energy: 1.363616960775099
Energy: 2.033861954193772
Energy: 1.363616960775099
Energy: 2.0802726253294206
Energy: 1.3767340567965807
Energy: 1.354618337411543
Energy: 1.3767340567978807
Energy: 1.9533414531404392
Energy: 1.3358118134195724
Energy: 1.3295617841573266
Energy: 1.3358118134208727
Energy: 1.9002943347014207
Energy: 1.3998399756292084
Energy: 1.4036069567267977
Energy: 1.3998399756305084

minimum gb energy = 1.325578570224296 eV
minimum distance =  2.27828884536891 Angstroms
sigma value = 89


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

Energy: 2.894590932888148
Energy: 1.2572270611207352
Energy: 1.2611001926452543
Energy: 1.263237526239624
Energy: 2.0661084456020338
Energy: 1.2621918682500872
Energy: 1.7376992284163362
Energy: 1.2621918682500872
Energy: 1.4767259458697954
Energy: 1.3424004153376807
Energy: 1.7157556535497844
Energy: 1.3424004153393816
Energy: 1.517696136061169
Energy: 1.569773377070691
Energy: 1.8580207186365978
Energy: 1.569773377070691
Energy: 1.7267972631220725
Energy: 1.1983552549716565
Energy: 1.9682687262594292
Energy: 1.1983552549716565
Energy: 1.5003048167118154
Energy: 1.1983735440786618
Energy: 1.9665163265343841
Energy: 1.1983735440786618
Energy: 1.4318193099707017
Energy: 1.1979564611742342
Energy: 2.0842377634969655
Energy: 1.1979564611742342
Energy: 1.42699607332613
Energy: 1.9901096117989168
Energy: 2.082939301016856
Energy: 1.9901096117989168
Energy: 1.8729835187663006
Energy: 1.2002561910143872
Energy: 2.0828495788345314
Energy: 1.2002561910143872
Energy: 1.9816027308638744
Energy: 1.8921923344997043
Energy: 1.4305371746545592
Energy: 1.8921923344997043
Energy: 1.874039345328915
Energy: 1.274285094749562
Energy: 1.523419516819671
Energy: 1.274285094749562
Energy: 1.9108001362040163
Energy: 1.5747949436662
Energy: 1.4811592131780573
Energy: 1.5747949436662
Energy: 1.9691374190791324
Energy: 1.2618663251834459
Energy: 1.2912143828845322
Energy: 1.2618663251834459
Energy: 2.155300647304191
Energy: 1.2611458665577848
Energy: 1.260042076187125
Energy: 1.2611458665577848
Energy: 2.063837757698773
Energy: 1.2619449160477645
Energy: 1.2892128515040915
Energy: 1.2619449160477645

minimum gb energy = 1.1979564611742342 eV
minimum distance =  2.24545467053806 Angstroms
sigma value = 13


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

Energy: 2.177623434309352
Energy: 1.1367575059093957
Energy: 1.5516891307471241
Energy: 1.120031602259721
Energy: 2.2147080834515527
Energy: 1.1171709759713273
Energy: 1.3761774698907403
Energy: 1.1171709759699016
Energy: 1.9092590844240456
Energy: 1.3289175691070922
Energy: 1.3380509169811072
Energy: 1.328917569109231
Energy: 1.6214448001491333
Energy: 1.5063738885227336
Energy: 1.6956081252653534
Energy: 1.5063738885227336
Energy: 1.8901701870811225
Energy: 1.170649830324375
Energy: 1.7812271051334567
Energy: 1.170649830324375
Energy: 1.3385648453758923
Energy: 1.116292062625093
Energy: 1.7334215906559571
Energy: 1.1162920626236672
Energy: 1.3393324913074407
Energy: 1.3291080719134418
Energy: 2.0950901582498305
Energy: 1.329108071912016
Energy: 1.3228561023415566
Energy: 1.1177227774508434
Energy: 2.14892623126824
Energy: 1.1177227774529819
Energy: 1.1834340852458232
Energy: 1.1205415865725914
Energy: 2.2416097691973955
Energy: 1.1205415865733044
Energy: 1.140360994169581
Energy: 1.1168989213531193
Energy: 2.241627082247533
Energy: 1.1168989213509806
Energy: 1.1548098378422145
Energy: 1.119760183449606
Energy: 2.177297485466797
Energy: 1.1197601834510318
Energy: 1.7503875130355793
Energy: 1.1167690729773951
Energy: 2.2403444621158677
Energy: 1.1167690729724047
Energy: 1.7365659227221977
Energy: 1.331765753518193
Energy: 1.733846117815909
Energy: 1.3317657535872809
Energy: 1.742132205873577
Energy: 1.6959519885625403
Energy: 1.6216853529718782
Energy: 1.6959519885625403
Energy: 2.09680305729345
Energy: 1.1184343095041438
Energy: 1.526448514959915
Energy: 1.1184343095062825
Energy: 2.09479086050654
Energy: 1.1171505060452962
Energy: 1.1209164989559448
Energy: 1.1171505060438705
Energy: 2.2436072587279448
Energy: 1.1167386646041224
Energy: 1.1205998409422329
Energy: 1.1167386646048352
Energy: 2.0170780164930937
Energy: 1.1179974895538756
Energy: 1.1240789403819642
Energy: 1.11799748931803
Energy: 2.268549997720788
Energy: 1.136253534363588
Energy: 1.3550736427673375
Energy: 1.1362535343621623
Energy: 2.0898213506269907
Energy: 1.3280317463979319
Energy: 1.3703641368303816
Energy: 1.3280317463965063
Energy: 1.6310038699391767
Energy: 1.5059164123749647
Energy: 1.3884896361000254
Energy: 1.5059164123386062
Energy: 1.892430093048872
Energy: 1.1669509788742511
Energy: 1.7319630553976622
Energy: 1.166950978872825
Energy: 1.3428861568879864
Energy: 1.1179261484024874
Energy: 1.7818377504424505
Energy: 1.1179261484046261
Energy: 1.1181375903211555
Energy: 1.3288389257770215
Energy: 2.0935627206601324
Energy: 1.3288389257941318
Energy: 1.3213326222086044
Energy: 1.116917786535363
Energy: 2.143592251790575
Energy: 1.1169177865367887
Energy: 1.145336215931731
Energy: 1.1161240345329027
Energy: 2.0923158395940487
Energy: 1.1161240345350414
Energy: 1.1163031538332868
Energy: 1.115866767280639
Energy: 2.2383460396093273
Energy: 1.1158667672827778
Energy: 1.166212187008696
Energy: 1.118414623341136
Energy: 1.9685597395449026
Energy: 1.118414623341849
Energy: 1.7133716715162242
Energy: 1.11663196688422
Energy: 2.2690627616900105
Energy: 1.116631966883507
Energy: 1.3697944915826825
Energy: 1.6963965146087825
Energy: 1.736313564893277
Energy: 1.6963965146080697
Energy: 1.7367131100499364
Energy: 1.698627121612408
Energy: 1.6321639390194218
Energy: 1.698627121612408
Energy: 2.0941024479435275
Energy: 1.1176614954683457
Energy: 1.5277800650071531
Energy: 1.1176614954697714
Energy: 2.0977608232361513
Energy: 1.1176746311750239
Energy: 1.160945059517711
Energy: 1.1176746311764494
Energy: 2.2390827418980397
Energy: 1.1158036239257396
Energy: 1.1165501377006635
Energy: 1.1158036239271651
Energy: 2.2772535784937653
Energy: 1.117117977460447
Energy: 1.121228020601727
Energy: 1.117117977460447

minimum gb energy = 1.1158036239257396 eV
minimum distance =  2.26059910795344 Angstroms
sigma value = 37


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

Energy: 1.894747665392015
Energy: 1.056772409786909
Energy: 1.0070683143979662
Energy: 1.0052699144758366
Energy: 2.3438501499211664
Energy: 1.350533590212466
Energy: 1.4284653991323792
Energy: 1.350533590212466
Energy: 1.7173088622516437
Energy: 1.3490955099084376
Energy: 1.3685231107592588
Energy: 1.3490955099084376
Energy: 1.7187308424895622
Energy: 1.3794012888698082
Energy: 1.3638022286371496
Energy: 1.3794012888698082
Energy: 1.7348617152353631
Energy: 1.3780427350769413
Energy: 1.433259304371169
Energy: 1.3780427350769413
Energy: 1.3708430206170912
Energy: 1.0056467085704324
Energy: 1.6866100957154835
Energy: 1.0056467085704324
Energy: 1.0013450918010172
Energy: 1.3493259524257544
Energy: 2.0338600156157822
Energy: 1.3493259524257544
Energy: 1.01774737631895
Energy: 1.0088484232731776
Energy: 2.1069039632750766
Energy: 1.0088484232719512
Energy: 1.005185384489294
Energy: 1.0070538373187587
Energy: 2.0311027510727
Energy: 1.0070538373187587
Energy: 1.069252372955579
Energy: 1.0055833713416327
Energy: 2.0325737388572898
Energy: 1.005583371340406
Energy: 1.0074831322669664
Energy: 1.0052699744310876
Energy: 1.894747665392015
Energy: 1.0567724097856825
Energy: 1.4284653991311524
Energy: 1.350533590212466
Energy: 2.3438501499211664
Energy: 1.350533590212466
Energy: 1.3685231107592588
Energy: 1.3490955099084376
Energy: 1.7173088622516437
Energy: 1.3490955099084376
Energy: 1.3638022286371496
Energy: 1.3794012888747145
Energy: 1.7187308424895622
Energy: 1.3794012888771676
Energy: 1.433259304371169
Energy: 1.3780427350769413
Energy: 1.7348617152353631
Energy: 1.3780427350769413
Energy: 1.6866100957154835
Energy: 1.0056467085716587
Energy: 1.370843020618318
Energy: 1.0056467085692056
Energy: 2.0338600156170092
Energy: 1.3493259524269812
Energy: 1.0013450917997906
Energy: 1.3493259524269812
Energy: 2.1069039632750766
Energy: 1.0088484232731776
Energy: 1.01774737631895
Energy: 1.0088484232731776
Energy: 2.0311027510727
Energy: 1.0070538373187587
Energy: 1.0051853844880674
Energy: 1.0070538373187587
Energy: 2.0325737388572898
Energy: 1.005583371340406
Energy: 1.069252372955579
Energy: 1.005583371340406

minimum gb energy = 1.0013450917997906 eV
minimum distance =  2.26894959678264 Angstroms
sigma value = 25


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

Energy: 2.319319449342964
Energy: 0.9147879969495495
Energy: 0.8728082676362777
Energy: 0.8724333859236941
Energy: 2.2356146664966134
Energy: 1.1516268338147726
Energy: 1.1644094592286416
Energy: 1.151626833813815
Energy: 1.9691279134180704
Energy: 1.150892368069914
Energy: 1.168734042219027
Energy: 1.150892368069914
Energy: 1.540116556850957
Energy: 1.2269356127515907
Energy: 1.8681351837270592
Energy: 1.2269356127525484
Energy: 1.9795398162941433
Energy: 1.4889914733588776
Energy: 1.7187656063423407
Energy: 1.4889914733579197
Energy: 1.4564977275087858
Energy: 1.4903609750756213
Energy: 1.7155397311716536
Energy: 1.4903609750756213
Energy: 1.5013484388835556
Energy: 1.488716383419154
Energy: 1.7156105653301594
Energy: 1.488716383418196
Energy: 1.4759563094600543
Energy: 1.226791419869266
Energy: 1.7628138305717818
Energy: 1.2267914198683083
Energy: 1.167265308881182
Energy: 1.1514648495400908
Energy: 2.2342354388743804
Energy: 1.1514648495391329
Energy: 1.169200533082704
Energy: 1.1515170889402147
Energy: 2.2328333724051355
Energy: 1.1515170889402147
Energy: 0.870390238281244
Energy: 0.8760738340994423
Energy: 1.938825234850741
Energy: 0.8760738340994423
Energy: 0.8740163817769749
Energy: 0.8696986282902462
Energy: 2.232749434808349
Energy: 0.8696986282902462
Energy: 0.8713974724462141
Energy: 0.8693824428510166
Energy: 2.237640234465129
Energy: 0.8693824428510166
Energy: 1.1648606899255842
Energy: 0.8736682784192044
Energy: 1.9679994344731744
Energy: 0.8736682784211198
Energy: 1.1669512337131476
Energy: 1.1501303527260522
Energy: 1.97995838257869
Energy: 1.1501303527270101
Energy: 1.1703480722372817
Energy: 1.224601595459672
Energy: 1.9730101920615213
Energy: 1.2246015954587144
Energy: 1.7202069885240443
Energy: 1.2255625655413653
Energy: 1.9777291068863496
Energy: 1.2255625655413653
Energy: 1.2046291473407542
Energy: 1.491142048144527
Energy: 2.038307681163965
Energy: 1.491142048144527
Energy: 1.715125229752288
Energy: 1.4886065768215238
Energy: 1.500640020802648
Energy: 1.4886065768215238
Energy: 1.9829752838136705
Energy: 1.487922325334897
Energy: 1.456619203980576
Energy: 1.487922325334897
Energy: 1.939748135271906
Energy: 1.2280430353531582
Energy: 1.1682349831593501
Energy: 1.228043035354116
Energy: 2.2323032487549965
Energy: 1.150493212813893
Energy: 0.8706864459322081
Energy: 1.150493212813893
Energy: 2.23251254130308
Energy: 0.8714097678006981
Energy: 1.1646087076319542
Energy: 0.8714097677997402
Energy: 1.7609885695108816
Energy: 0.873719561527516
Energy: 0.8703102385497654
Energy: 0.873719561527516
Energy: 2.232895573871495
Energy: 0.8687985899129633
Energy: 0.8701430147757958
Energy: 0.8687985899129633
Energy: 1.9718775451728217
Energy: 0.8703161823774735
Energy: 0.8755918893430275
Energy: 0.8703161823765158

minimum gb energy = 0.8687985899129633 eV
minimum distance =  2.27285110604838 Angstroms
sigma value = 41


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

Energy: 2.1666366450937096
Energy: 0.8161081038669864
Energy: 0.7748552773539368
Energy: 0.7755795278341917
Energy: 2.3722743830129893
Energy: 1.0105581128786385
Energy: 1.0246570702433102
Energy: 1.0105581128809944
Energy: 2.1440230050937714
Energy: 1.0096454501021916
Energy: 1.0524573341287264
Energy: 1.009645450179107
Energy: 1.7032239919336385
Energy: 1.0842236025177416
Energy: 1.4828808902296993
Energy: 1.0842236025177416
Energy: 2.150750211211568
Energy: 1.3087547848389731
Energy: 1.4857431296134511
Energy: 1.3087547848389731
Energy: 1.6957050409107128
Energy: 1.3152667102930922
Energy: 1.482264246664596
Energy: 1.3152667102930922
Energy: 1.7022191815235308
Energy: 1.3762099470370823
Energy: 1.9258953291623018
Energy: 1.376209947036297
Energy: 1.7089368011760688
Energy: 1.3818862562480456
Energy: 1.5147307707264726
Energy: 1.3818862562480456
Energy: 1.2963498541612868
Energy: 1.3077019847902733
Energy: 1.9206420318692865
Energy: 1.3077019847902733
Energy: 1.2971706395925562
Energy: 1.3090120801780438
Energy: 2.1568707092891355
Energy: 1.3090120801772585
Energy: 1.0241682222571082
Energy: 1.0850165627788175
Energy: 1.9193339365968058
Energy: 1.0850165627788175
Energy: 1.0472803057443898
Energy: 1.0101085178342506
Energy: 2.3636114272931295
Energy: 1.0101085178358211
Energy: 1.0283333292807675
Energy: 0.773456498590418
Energy: 2.366021488172261
Energy: 0.773456498589633
Energy: 0.773029811678491
Energy: 0.776229375105819
Energy: 1.9195179406533986
Energy: 0.7762293751050338
Energy: 0.7747382640144679
Energy: 0.7726474487866667
Energy: 2.3708286788608377
Energy: 0.7726474487866667
Energy: 0.7789617807248197
Energy: 0.7739587144207828
Energy: 2.1478964730533767
Energy: 0.7739587144192124
Energy: 1.0314049107386682
Energy: 0.7746141929099849
Energy: 2.152787086887208
Energy: 0.7746141929084144
Energy: 1.0472479502865588
Energy: 1.0094053558479752
Energy: 2.14951859205978
Energy: 1.0094053558519012
Energy: 1.0312912279011692
Energy: 1.0827539956658816
Energy: 1.699203992742486
Energy: 1.0827539956650964
Energy: 1.4885020370308781
Energy: 1.0820845170709212
Energy: 1.6971006952161227
Energy: 1.0820845170709212
Energy: 1.5242271242005772
Energy: 1.3092117977279023
Energy: 1.9246895249213076
Energy: 1.3092117977271172
Energy: 1.4900298599149713
Energy: 1.3793784752310543
Energy: 1.7023923934040226
Energy: 1.3793784752310543
Energy: 1.9204697131468589
Energy: 1.3734492425994873
Energy: 1.6951401413976535
Energy: 1.373449242598702
Energy: 1.5137436665700803
Energy: 1.3807667006744744
Energy: 1.4876739198865379
Energy: 1.380766700673689
Energy: 1.9278095104951523
Energy: 1.3105519577166176
Energy: 1.3350877899468463
Energy: 1.3105519577166176
Energy: 1.9223486369860043
Energy: 1.0818469309384504
Energy: 1.4844823734462211
Energy: 1.0818469309384504
Energy: 1.925445934603332
Energy: 1.0829790861460358
Energy: 1.0327657777871855
Energy: 1.0829790861468211
Energy: 2.3681380985844966
Energy: 1.0097657397217663
Energy: 1.046665832255939
Energy: 1.0097657394612174
Energy: 1.9249477382850817
Energy: 0.7745927472263977
Energy: 1.0301104680077044
Energy: 0.7745927472263977
Energy: 1.9226079439715595
Energy: 0.7739732264489805
Energy: 0.7806331439284979
Energy: 0.7739732264489805
Energy: 2.3643986275938693
Energy: 0.7724918062472694
Energy: 0.7740053007748772
Energy: 0.7724918062472694
Energy: 2.1560022141305173
Energy: 0.7761057747495741
Energy: 0.7731270647368237
Energy: 0.7761057747495741

minimum gb energy = 0.7724918062472694 eV
minimum distance =  2.27373088943988 Angstroms
sigma value = 15


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

Energy: 1.891839576818725
Energy: 0.7373273310541488
Energy: 1.1912383073523725
Energy: 0.7038596046986528
Energy: 2.4607094223807375
Energy: 0.9037624643864853
Energy: 0.9179386252192377
Energy: 0.9037624643864853
Energy: 2.2672833261853484
Energy: 0.9052836690892705
Energy: 0.9372078902542529
Energy: 0.9052836690892705
Energy: 1.8887449853101648
Energy: 0.9718489910691308
Energy: 1.3242431839617326
Energy: 0.9718489910691308
Energy: 2.085249691700645
Energy: 1.1675215320473225
Energy: 1.3107950903336663
Energy: 1.167521532048653
Energy: 1.87897922592487
Energy: 1.2445503107586182
Energy: 1.3102675103208428
Energy: 1.2445503107586182
Energy: 1.4957351151448242
Energy: 1.2475131698582216
Energy: 1.6937730027370372
Energy: 1.2475131698588866
Energy: 1.6985135748443947
Energy: 1.2469454411232392
Energy: 1.3348973636384014
Energy: 1.246945441121909
Energy: 1.4926322481601426
Energy: 1.245497969516481
Energy: 1.6860776712316372
Energy: 1.245497969515816
Energy: 1.4919040469580906
Energy: 1.2439769950836839
Energy: 2.072485237298116
Energy: 1.2439769950836839
Energy: 1.322152420330992
Energy: 1.1858818305957843
Energy: 1.6959592175509277
Energy: 1.185881830594454
Energy: 1.164020382532261
Energy: 1.166289451608452
Energy: 2.073022518958023
Energy: 1.166289451608452
Energy: 1.3126311025637616
Energy: 1.170490980961977
Energy: 2.072388319541452
Energy: 1.170490980962642
Energy: 0.9310630556908196
Energy: 0.9717497322269477
Energy: 1.693857953564525
Energy: 0.9717497322262826
Energy: 0.9335765844969619
Energy: 0.9073466663406432
Energy: 2.4533662552783753
Energy: 0.9073466663373171
Energy: 0.9204984439435263
Energy: 0.7019699697791135
Energy: 2.075084379323385
Energy: 0.7019699697797788
Energy: 0.7122852831276707
Energy: 0.701552937506449
Energy: 2.0791224780520086
Energy: 0.7015529375057838
Energy: 0.6988858967404606
Energy: 0.7000359365274152
Energy: 2.458487600469153
Energy: 0.7000359365280804
Energy: 0.7106987920197305
Energy: 0.7010516743203358
Energy: 1.8826812987737267
Energy: 0.7010516743190055
Energy: 0.9223808757107989
Energy: 0.7022808850468392
Energy: 2.2734031829271504
Energy: 0.7022808850475043
Energy: 0.9358074446089412
Energy: 0.9053192386886888
Energy: 2.2747758882708613
Energy: 0.9053192386893539
Energy: 0.9284128744541997
Energy: 0.9717870938025985
Energy: 1.8857938457754198
Energy: 0.9717870938025985
Energy: 1.311943825131191
Energy: 0.9705763942212534
Energy: 1.8775571675878229
Energy: 0.9705763942205884
Energy: 1.3323054636883893
Energy: 1.1672916902473107
Energy: 2.0761310720440136
Energy: 1.1672916903816184
Energy: 1.3209439704326948
Energy: 1.255704606101134
Energy: 1.501575699987653
Energy: 1.2557046060998036
Energy: 1.6862323991889052
Energy: 1.2435355299478956
Energy: 2.074068473070624
Energy: 1.2435355299478956
Energy: 1.3313055516191747
Energy: 1.2466763962859388
Energy: 1.688665520742237
Energy: 1.2466763962859388
Energy: 1.6970264086551263
Energy: 1.2492664793392592
Energy: 1.501964870222538
Energy: 1.2492664793385941
Energy: 1.688854962585038
Energy: 1.2461488928023843
Energy: 1.6889672611946842
Energy: 1.2461488928030493
Energy: 1.6858890580736128
Energy: 1.2459842414054552
Energy: 1.3120842736949718
Energy: 1.2459842414054552
Energy: 2.0830613770357145
Energy: 1.1675275963424423
Energy: 1.1639798990647436
Energy: 1.1675275963417773
Energy: 1.693089404447473
Energy: 0.9719593712866406
Energy: 1.3227137830148787
Energy: 0.9719593712859754
Energy: 2.0727141435916776
Energy: 0.9102261279530417
Energy: 0.9190027296744321
Energy: 0.9102261279530417
Energy: 2.273919375268083
Energy: 0.9041577810436877
Energy: 0.917202530205348
Energy: 0.9041577836753568
Energy: 2.0710638821062375
Energy: 0.7037379881524489
Energy: 0.7281709917488743
Energy: 0.7037379881451319
Energy: 2.2763003767174865
Energy: 0.6999844180529528
Energy: 0.7041237804211653
Energy: 0.6999844180529528
Energy: 2.2652601170659454
Energy: 0.7012553538954136
Energy: 0.7023471454527509
Energy: 0.7012553538940833

minimum gb energy = 0.6988858967404606 eV
minimum distance =  2.27530080531986 Angstroms
sigma value = 85


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

Energy: 2.0290463941279224
Energy: 0.684269697429637
Energy: 0.6768900919896383
Energy: 0.6247386787618114
Energy: 2.3421982445190124
Energy: 0.8053418089704567
Energy: 0.8181431637351892
Energy: 0.8053418089710337
Energy: 2.001478740337036
Energy: 0.8043364178896552
Energy: 0.8281007577075143
Energy: 0.8043364178873474
Energy: 1.6573634773909034
Energy: 0.6261407350862942
Energy: 1.232624217275894
Energy: 0.6261407350857172
Energy: 2.173666662141644
Energy: 1.0349916532651886
Energy: 1.161933867300408
Energy: 1.0349916532651886
Energy: 1.658513423401995
Energy: 1.1135024692890176
Energy: 1.1634280364379257
Energy: 1.1135024692890176
Energy: 1.658446387880652
Energy: 1.115962386488095
Energy: 1.4909894245105517
Energy: 1.115962386488095
Energy: 1.832275760900335
Energy: 1.060918702164233
Energy: 1.1787679333816061
Energy: 1.060918702164233
Energy: 1.6625224420778584
Energy: 1.135318670161658
Energy: 1.4933037715810107
Energy: 1.135318670161658
Energy: 1.6611276095820817
Energy: 1.1339899632082013
Energy: 1.833332054809035
Energy: 1.1339899632076242
Energy: 1.4912051498966448
Energy: 1.132406174960979
Energy: 1.4896598170361453
Energy: 1.1324061749604022
Energy: 1.323845552962149
Energy: 1.1141265026752512
Energy: 1.8342800021855776
Energy: 1.114126502674674
Energy: 1.4908990050046367
Energy: 1.113041055752385
Energy: 1.831044990267107
Energy: 1.113041055752385
Energy: 1.1614159469767777
Energy: 1.0604978555458862
Energy: 1.4887327501377743
Energy: 1.0604978555458862
Energy: 1.030331810647844
Energy: 1.0353284491423924
Energy: 2.175342779914934
Energy: 1.0353284491423924
Energy: 1.161317348817206
Energy: 0.6259543145821604
Energy: 1.8318679364449715
Energy: 0.6259543145821604
Energy: 0.8153014278233274
Energy: 0.6261708705493442
Energy: 1.829725282308206
Energy: 0.6261708705516518
Energy: 0.8285407899719839
Energy: 0.8043435566091873
Energy: 2.347043876245878
Energy: 0.8043435566132258
Energy: 0.81354899369239
Energy: 0.6288700590064005
Energy: 2.170934277169931
Energy: 0.6288700590064005
Energy: 0.625237714765558
Energy: 0.6278757547715801
Energy: 2.1707775988178373
Energy: 0.6278757547721571
Energy: 0.626218598344861
Energy: 0.624881048821075
Energy: 2.347954383400015
Energy: 0.6248810488204979
Energy: 0.6251371008862946
Energy: 0.6251406689102296
Energy: 2.00047681304556
Energy: 0.6251406689102296
Energy: 0.8131610755783618
Energy: 0.8063976053385198
Energy: 2.340235135853935
Energy: 0.8063976053385198
Energy: 0.8294093173286716
Energy: 0.804688248970529
Energy: 2.349065274174187
Energy: 0.804688248970529
Energy: 0.8153228663310292
Energy: 0.6255753087444065
Energy: 1.657522839191122
Energy: 0.6255753087467142
Energy: 1.1619442774490847
Energy: 0.8064445818989813
Energy: 2.3833176925778194
Energy: 0.8064445818972503
Energy: 1.1786070646800098
Energy: 0.9787410194731727
Energy: 2.0025062228848833
Energy: 0.9787410194731727
Energy: 1.1610843160251587
Energy: 1.1167726151879362
Energy: 1.6583846475416462
Energy: 1.1167726151879362
Energy: 1.4926903646522238
Energy: 1.112757778777877
Energy: 2.015261442678947
Energy: 1.112757778777877
Energy: 1.4911258380928787
Energy: 1.134490670103013
Energy: 1.659510251850067
Energy: 1.1344906701035902
Energy: 1.831976868348426
Energy: 1.132337612205828
Energy: 1.3233848583433971
Energy: 1.132337612205828
Energy: 1.489922412829911
Energy: 1.1323143497813375
Energy: 1.6779484502948925
Energy: 1.1323143497813375
Energy: 1.8320588564150717
Energy: 1.1145830323151684
Energy: 1.3201329716315553
Energy: 1.1145830323163222
Energy: 2.172388836618452
Energy: 1.113094730989124
Energy: 1.3206427505159386
Energy: 1.1130947309897008
Energy: 1.4895038206349431
Energy: 1.0602155147147276
Energy: 1.4533923853528319
Energy: 1.0602155147222276
Energy: 2.1735348834308335
Energy: 0.9786167168911508
Energy: 1.1776787394175425
Energy: 0.9786167168905738
Energy: 2.1725839772570428
Energy: 0.8050050567316879
Energy: 1.161784135438784
Energy: 0.8050050567328417
Energy: 1.829860441825668
Energy: 0.6258890912638306
Energy: 0.8154805282374634
Energy: 0.6258890900459272
Energy: 2.3488656690838243
Energy: 0.8037449762201148
Energy: 0.8284012272633261
Energy: 0.8037449762345378
Energy: 2.1737024081629146
Energy: 0.6265564264329402
Energy: 0.8149377851412142
Energy: 0.6265564264329402
Energy: 1.8291953123397497
Energy: 0.6250128426687088
Energy: 0.6251276360580014
Energy: 0.6250128426675551
Energy: 2.3471745506144193
Energy: 0.6253419472876568
Energy: 0.6256193341718922
Energy: 0.6253419472876568
Energy: 2.000040037527815
Energy: 0.6284502533135095
Energy: 0.625203493448041
Energy: 0.6284502533129326

minimum gb energy = 0.6247386787618114 eV
minimum distance =  2.27741396021545 Angstroms
sigma value = 113


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

Energy: 0.015448485757450132
Energy: 0.016203570512470178
Energy: 1.8418559752424795
Energy: 0.5692690375154589
Energy: 0.016196035231038103
Energy: 0.10603369469037038
Energy: 1.3790336137896477
Energy: 0.10603369469037038
Energy: 0.016131451504636376
Energy: 0.10537596241634371
Energy: 1.3780627493039772
Energy: 0.10537596241634371
Energy: 0.017435115529410666
Energy: 0.10766399061747588
Energy: 1.843115968469473
Energy: 0.10766399061747588
Energy: 1.378643956689954
Energy: 0.10713442093174749
Energy: 1.3779895943635847
Energy: 0.107134420932191
Energy: 0.015985278857031514
Energy: 0.10518544691221421
Energy: 1.3781370964218989
Energy: 0.10518544691179534

minimum gb energy = 0.015448485757450132 eV
minimum distance =  2.5229098141674 Angstroms
sigma value = 1