Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8890872895717616
cohesive_energy=3.9103075413017163
mass=106.42
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=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-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: 0.013031028441671153
Energy: 0.0974707796799981
Energy: 0.9142367757708523
Energy: 0.013647331731220132
Energy: 0.09747077968159376
Energy: 0.9014489700674687
Energy: 0.013647331731220132
Energy: 0.9014489700605743
Energy: 0.9142367757989118
Energy: 0.013647331731762054
Energy: 0.013031028441671153
Energy: 0.09747077968054002
Energy: 0.013647331731762054
Energy: 0.9014489700685225
Energy: 0.09747077968054002
Energy: 0.9014489700436241

minimum gb energy = 0.013031028441671153 eV
minimum distance =  2.64486081639052 Angstroms
sigma value = 1


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

Energy: 1.7104727354292353
Energy: 1.256189703687291
Energy: 1.2069851378117133
Energy: 1.122761332753156
Energy: 1.2559546941377284
Energy: 1.6934769546518018
Energy: 1.180670792143546
Energy: 1.6934769546518018
Energy: 1.2045180723438003
Energy: 1.1752109155089359
Energy: 1.8009674388236128
Energy: 1.1752109155102504
Energy: 1.2641370448117646
Energy: 1.6750481171053493
Energy: 1.229941317908609
Energy: 1.675048117104692
Energy: 1.5464144020898085
Energy: 1.1896795470672108
Energy: 1.1687456127330662
Energy: 1.1896795470665835
Energy: 1.266548480917063
Energy: 1.6341182555231306
Energy: 1.2140824174034812
Energy: 1.6341182555224734
Energy: 1.2316730171112795
Energy: 1.1848762959606538
Energy: 1.4991958203850007
Energy: 1.184876295963283
Energy: 1.213852293070438
Energy: 1.610287984905526
Energy: 1.1759773118893226
Energy: 1.610287984905526
Energy: 1.317508448174199
Energy: 1.2287165664099184
Energy: 1.3949060618508466
Energy: 1.2287165664099184
Energy: 1.171987211981571
Energy: 1.5782669921262986
Energy: 1.29586658040015
Energy: 1.5782669921256414
Energy: 1.4777567837512595
Energy: 1.2626915616182148
Energy: 1.2818719181987666
Energy: 1.2626915616175576
Energy: 1.2674854193783847
Energy: 1.5981475252030966
Energy: 1.2710062643964475
Energy: 1.5981475252030966
Energy: 1.1605669605195315
Energy: 1.2604462589944858
Energy: 1.6198722279366442
Energy: 1.2604462589944858
Energy: 1.268488603204155
Energy: 1.5615450947534921
Energy: 1.2245840716076153
Energy: 1.5615450947541494
Energy: 1.6187433297611356
Energy: 1.1358745592416635
Energy: 1.2079659306317287
Energy: 1.1358745592423207
Energy: 1.1469916595521668
Energy: 1.6543201261536327
Energy: 1.2294847221070475
Energy: 1.6543201261536327
Energy: 1.1864818018489305
Energy: 1.1753762434585677
Energy: 1.8947847596743124
Energy: 1.1753762434579105
Energy: 1.1785602746743868
Energy: 1.6749938708932544
Energy: 1.2896944042155174
Energy: 1.6749938708939116
Energy: 1.8025134320493659
Energy: 1.175738332514192
Energy: 1.1964080927146767
Energy: 1.175738332514192
Energy: 1.409942325477327
Energy: 1.6631793916158706
Energy: 1.17243319590361
Energy: 1.6631793916132416
Energy: 1.1747782587332634
Energy: 1.1370376640210413
Energy: 1.6274512685772093
Energy: 1.1370376640144693
Energy: 1.0580383974752576
Energy: 1.6622787788037612
Energy: 1.1731905212238287
Energy: 1.6622787788037612
Energy: 1.499625543039681
Energy: 1.1848725396278814
Energy: 1.2210018584054658
Energy: 1.1848725396272242
Energy: 1.172446520441253
Energy: 1.61327015591056
Energy: 1.1348778340185257
Energy: 1.6132701559099027
Energy: 1.3810425046966404
Energy: 1.227505874101008
Energy: 1.4326291030679756
Energy: 1.227505874101008
Energy: 1.269401809833602
Energy: 1.5786816575315543
Energy: 1.151453643851155
Energy: 1.5786816575315543
Energy: 1.2813867600552598
Energy: 1.2455252581057412
Energy: 1.463089247689071
Energy: 1.2455252581050842
Energy: 1.2698133078404985
Energy: 1.5786111535260474
Energy: 1.2565370644431073
Energy: 1.5786111535260474
Energy: 1.6662259237515173
Energy: 1.2842330225495207
Energy: 1.10800957487425
Energy: 1.2842330225495207
Energy: 1.3615042741569623
Energy: 1.3741570939189856
Energy: 1.2728739030270442
Energy: 1.3741570944340202
Energy: 1.2028007842677249
Energy: 1.2495839073667738
Energy: 1.6991106319253961
Energy: 1.249583907368088
Energy: 1.2282843186694659
Energy: 1.3997052786283697
Energy: 1.0855362426756694
Energy: 1.399705278629684
Energy: 1.9515384700753506
Energy: 1.174997117417777
Energy: 1.1869573794041435
Energy: 1.1749971174164624

minimum gb energy = 1.0580383974752576 eV
minimum distance =  2.50627160694489 Angstroms
sigma value = 1


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

Energy: 1.824529581016905
Energy: 1.3466823416042932
Energy: 1.3107324549886028
Energy: 1.1926601039454858
Energy: 1.3826683899094705
Energy: 1.7078132507895027
Energy: 1.25473011639133
Energy: 1.7078132507910015
Energy: 1.2743439291442284
Energy: 1.2306181327858519
Energy: 1.7276545430278805
Energy: 1.2306181327851027
Energy: 1.2828669902816259
Energy: 1.6831608438450674
Energy: 1.3166073960665028
Energy: 1.6831608438458168
Energy: 1.6755413443617257
Energy: 1.2643605160679436
Energy: 1.2448416857783766
Energy: 1.2643605160664448
Energy: 1.2480260629386764
Energy: 1.6602778118512482
Energy: 1.1096007277752806
Energy: 1.6602778118519974
Energy: 1.3274017521247716
Energy: 1.2629864574400638
Energy: 1.4006808761163247
Energy: 1.2629864574430614
Energy: 1.1967276263438087
Energy: 1.6478401537281977
Energy: 1.2493404407006503
Energy: 1.647840153727448
Energy: 1.4024864282222103
Energy: 1.3367076809151788
Energy: 1.3763992960196627
Energy: 1.33670768091368
Energy: 1.138351045581869
Energy: 1.6330460128223956
Energy: 1.358542861833166
Energy: 1.633046012823145
Energy: 1.5271108004444665
Energy: 1.3402356681491518
Energy: 1.1874052551706924
Energy: 1.3402356681528986
Energy: 1.3405221985091709
Energy: 1.6352485396986167
Energy: 1.2936448663759188
Energy: 1.6352485396993661
Energy: 1.2476867508685492
Energy: 1.2061938347897554
Energy: 1.6269299825636072
Energy: 1.2061938347890062
Energy: 1.3161862009951881
Energy: 1.67894990922716
Energy: 1.3036873433364455
Energy: 1.67894990922716
Energy: 1.826306021548234
Energy: 1.3287726838718878
Energy: 1.2647096344101076
Energy: 1.3287726838711387
Energy: 1.3847836805011466
Energy: 1.6848064812522932
Energy: 1.2546685892498344
Energy: 1.6848064812537915
Energy: 1.2726902671881548
Energy: 1.2312679746366477
Energy: 1.8204039252659896
Energy: 1.2312679746381465
Energy: 1.2500363846587894
Energy: 1.685386678223267
Energy: 1.3880723005035878
Energy: 1.6853866782225175
Energy: 1.6761830245396707
Energy: 1.2069770274916314
Energy: 1.2559473667255097
Energy: 1.2069770274916314
Energy: 1.2477826113468267
Energy: 1.6870810074518716
Energy: 1.1221220000622234
Energy: 1.6870810074496236
Energy: 1.313469930606572
Energy: 1.2616182122382082
Energy: 1.5247115590618951
Energy: 1.261618212237459
Energy: 1.2751382100596038
Energy: 1.6148014360883796
Energy: 1.2482746691528919
Energy: 1.614801436089129
Energy: 1.4020855030949977
Energy: 1.3108593749393553
Energy: 1.3751437487562552
Energy: 1.3108593749378563
Energy: 1.1396752830241919
Energy: 1.6337823709210941
Energy: 1.339295487359432
Energy: 1.6337823709203447
Energy: 1.5817995595945988
Energy: 1.3902489562314324
Energy: 1.1864517844712263
Energy: 1.3902489562314324
Energy: 1.3633427982899855
Energy: 1.4221831491215597
Energy: 1.2926369463353717
Energy: 1.422183149122309
Energy: 1.2121774073608031
Energy: 1.3075774137497553
Energy: 1.6191120318271766
Energy: 1.3075774137490057
Energy: 1.3160184633893066
Energy: 1.447364044538549
Energy: 1.3039579944219895
Energy: 1.4473640445407971
Energy: 1.933218934809345
Energy: 1.2058323924472862
Energy: 1.2654425972892618
Energy: 1.2058323924472862

minimum gb energy = 1.1096007277752806 eV
minimum distance =  2.45822956713758 Angstroms
sigma value = 25


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

Energy: 1.7232108532272226
Energy: 1.456132673130428
Energy: 1.402311914737289
Energy: 1.2750703100039056
Energy: 1.5015399302932848
Energy: 1.7156686125384506
Energy: 1.342803123617026
Energy: 1.715668612539322
Energy: 1.2426881531792828
Energy: 1.3151702984689908
Energy: 1.8878783157171317
Energy: 1.3151702984689908
Energy: 1.3835977483923718
Energy: 1.7014256761180688
Energy: 1.3380944199167435
Energy: 1.7014256761180688
Energy: 1.5629362676701508
Energy: 1.3488794768799794
Energy: 1.2572145712950482
Energy: 1.3488794768791081
Energy: 1.3362875448240343
Energy: 1.6897485317993512
Energy: 1.2268493316672882
Energy: 1.6897485317993512
Energy: 1.444632057645038
Energy: 1.3531133668447783
Energy: 1.336064821016964
Energy: 1.3531133668447783
Energy: 1.2409470703271432
Energy: 1.657505619249604
Energy: 1.3384805999728746
Energy: 1.657505619249604
Energy: 1.2836241166991056
Energy: 1.4412802843473602
Energy: 1.4823248903865407
Energy: 1.4412802843473602
Energy: 1.388124582895447
Energy: 1.5928172574821193
Energy: 1.51517511439904
Energy: 1.5928172574821193
Energy: 1.728635417807926
Energy: 1.2614723395110554
Energy: 1.23824840140834
Energy: 1.2614723395110554
Energy: 1.3824504391249615
Energy: 1.486898545379462
Energy: 1.4187031690799021
Energy: 1.486898545379462
Energy: 1.3528411171843786
Energy: 1.4340839810923112
Energy: 1.7263884511961543
Energy: 1.4340839810931822
Energy: 1.3754293729405551
Energy: 1.7305269428177883
Energy: 1.5419080643855632
Energy: 1.7305269428169172
Energy: 1.7270111191514521
Energy: 1.314534499356276
Energy: 1.3340758318461414
Energy: 1.314534499356276
Energy: 1.415490770312369
Energy: 1.7705947201484236
Energy: 1.3450501950714409
Energy: 1.7705947201475525
Energy: 1.3394785135853648
Energy: 1.288584692580657
Energy: 1.5642934896046259
Energy: 1.2885846925815283
Energy: 1.1984524238755638
Energy: 1.6818028719500016
Energy: 1.3359681142811586
Energy: 1.6818028719500016
Energy: 1.4858663609792067
Energy: 1.3512690170518655
Energy: 1.446108621011299
Energy: 1.3512690170518655
Energy: 1.2094110709635442
Energy: 1.6586711941074728
Energy: 1.393946994163549
Energy: 1.6586711941074728
Energy: 1.5325502863872382
Energy: 1.4410830203028704
Energy: 1.2846403828137636
Energy: 1.4410830203037417
Energy: 1.521093688466666
Energy: 1.4794844054634453
Energy: 1.2549250800214964
Energy: 1.4794844054625744
Energy: 1.3047108074327445
Energy: 1.422967865639267
Energy: 1.8754608650457465
Energy: 1.422967865639267
Energy: 1.4192717261334906
Energy: 1.5369704522193184
Energy: 1.205434650272308
Energy: 1.5369704522193184
Energy: 1.8520813511628438
Energy: 1.2855865682627603
Energy: 1.3534461936002415
Energy: 1.2855865682653738

minimum gb energy = 1.1984524238755638 eV
minimum distance =  2.45563173544119 Angstroms
sigma value = 9


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

Energy: 1.569567049981385
Energy: 1.4109745141725027
Energy: 1.50989485130011
Energy: 1.2914112886552818
Energy: 1.4858041791864103
Energy: 1.8288484978329629
Energy: 1.4429009514649274
Energy: 1.8288484978329629
Energy: 1.3203138273025856
Energy: 1.4106488315236352
Energy: 1.8516148846594769
Energy: 1.4106488315236352
Energy: 1.543184537440703
Energy: 1.7815190373698722
Energy: 1.4429607152607338
Energy: 1.7815190373698722
Energy: 1.4084662914874886
Energy: 1.3790382569400583
Energy: 1.350876974597904
Energy: 1.3790382569400583
Energy: 1.4392879941822838
Energy: 1.773874493364047
Energy: 1.5878880371960133
Energy: 1.773874493363008
Energy: 1.3083059377497168
Energy: 1.4646696646915403
Energy: 1.4118698668079321
Energy: 1.4646696646925794
Energy: 1.4114270421302724
Energy: 1.6525956043621803
Energy: 1.3338994698829052
Energy: 1.6525956043632195
Energy: 1.2046178437115027
Energy: 1.3449995443392204
Energy: 1.5742274384835406
Energy: 1.3449995443392204
Energy: 1.5469638369319212
Energy: 1.800353004393596
Energy: 1.668933937335575
Energy: 1.800353004394635
Energy: 1.6394870215008295
Energy: 1.4718064770187875
Energy: 1.5099553117977942
Energy: 1.4718064770187875
Energy: 1.7294254031826923
Energy: 1.8457839594482237
Energy: 1.4856084702304009
Energy: 1.8457839594482237
Energy: 1.430635848237922
Energy: 1.411310483592048
Energy: 1.8533714653040834
Energy: 1.4113104835910089
Energy: 1.3498450991223199
Energy: 1.8706468567594627
Energy: 1.5715838307444834
Energy: 1.8706468567594627
Energy: 1.469988885729255
Energy: 1.3805337341867212
Energy: 1.3515129092592115
Energy: 1.3805337341857058
Energy: 1.4387329066617633
Energy: 1.6527555771763363
Energy: 1.3302698490965705
Energy: 1.6527555771763363
Energy: 1.4078000093439185
Energy: 1.4618251702708298
Energy: 1.4115037199736018
Energy: 1.4618251702708298
Energy: 1.4058428030366699
Energy: 1.5533565371767464
Energy: 1.3344369079304463
Energy: 1.5533565371767464
Energy: 1.2290035988884447
Energy: 1.4726266913856778
Energy: 1.7634424960602495
Energy: 1.4726266913856778
Energy: 1.4244036620259748
Energy: 1.8180374606769456
Energy: 1.7340993163221308
Energy: 1.8180374606883767
Energy: 1.718659833070695
Energy: 1.3388354876307318
Energy: 1.4588502567834682
Energy: 1.338835487625536

minimum gb energy = 1.2046178437115027 eV
minimum distance =  2.46174754108787 Angstroms
sigma value = 25


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

Energy: 1.8815819002848588
Energy: 1.532188219488224
Energy: 1.6312152806631992
Energy: 1.3659450986908837
Energy: 2.00612208747387
Energy: 1.8052288526196927
Energy: 1.5285624389761046
Energy: 1.8052288526196927
Energy: 1.3914358562501996
Energy: 1.5222489194187938
Energy: 1.6658061893342182
Energy: 1.5222489194175086
Energy: 1.391127585334896
Energy: 1.8896831443544722
Energy: 1.53065117910348
Energy: 1.8896831443557573
Energy: 1.5512746911590016
Energy: 1.5311641616683318
Energy: 1.5897544395189616
Energy: 1.5311641616683318
Energy: 1.4612372776008968
Energy: 1.885244860599895
Energy: 1.5404769327105283
Energy: 1.885244860599895
Energy: 1.3506460870122432
Energy: 1.5373520591746248
Energy: 1.2701524926928707
Energy: 1.5373520591746248
Energy: 1.59080511223914
Energy: 1.8150009923972559
Energy: 1.527611150935156
Energy: 1.8150009923972559
Energy: 1.6320850166372312
Energy: 1.658257998933295
Energy: 2.066983003464062
Energy: 1.65825799893458
Energy: 1.5881353344591564
Energy: 1.8409860164685445
Energy: 1.529230682686054
Energy: 1.8409860164685445
Energy: 1.66722616212134
Energy: 1.5206765489660106
Energy: 1.5340254132490574
Energy: 1.5206765489660106
Energy: 1.7692956950240075
Energy: 1.8897737383205968
Energy: 1.3918158381530494
Energy: 1.8897737383205968
Energy: 1.5928517264855875
Energy: 1.4713955436887582
Energy: 1.578551767583902
Energy: 1.4713955436887582
Energy: 1.4454748536999542
Energy: 1.6551128471365506
Energy: 1.4622041740001397
Energy: 1.6551128471365506
Energy: 1.2684041096364893
Energy: 1.5149744174351027
Energy: 1.5898118835752395
Energy: 1.5149744174351027
Energy: 1.4774788883496122
Energy: 1.7559185232258778
Energy: 1.589121342764314
Energy: 1.7559185232258778
Energy: 2.1440869548601733
Energy: 1.7728551900270926
Energy: 1.4428744923218004
Energy: 1.7728551900283487

minimum gb energy = 1.2684041096364893 eV
minimum distance =  2.44045369687703 Angstroms
sigma value = 17


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

Energy: 1.8925674024551473
Energy: 1.7777043228039249
Energy: 1.7271842172037475
Energy: 1.7624938905128902
Energy: 1.9697333098373568
Energy: 1.837132742971712
Energy: 1.6755434344075264
Energy: 1.837132742970984
Energy: 1.5596352424873212
Energy: 1.607362180334618
Energy: 1.7119643255071448
Energy: 1.607362180334618
Energy: 1.6698253753444192
Energy: 1.8482500501989547
Energy: 1.5839673846854667
Energy: 1.8482500501989547
Energy: 1.4102952655718093
Energy: 1.5629946375760837
Energy: 1.3958835676978674
Energy: 1.5629946375760837
Energy: 1.5837856299836244
Energy: 1.8755380866505191
Energy: 1.6773614762643132
Energy: 1.875538086651247
Energy: 1.6555354014760648
Energy: 1.713575028020929
Energy: 1.4622171050892592
Energy: 1.713575028020201
Energy: 1.8273529947738563
Energy: 1.8855317769113005
Energy: 1.6701525341030699
Energy: 1.8855317769113005
Energy: 1.6759280482433023
Energy: 1.7099353769228713
Energy: 1.7660906000204581
Energy: 1.7099353769235992
Energy: 1.551157381087955
Energy: 1.709548575674441
Energy: 1.6755777551805464
Energy: 1.709548575675169
Energy: 1.4547180574038174
Energy: 1.5437941496514271
Energy: 1.5876431354017637
Energy: 1.5437941496514271
Energy: 1.57057929221082
Energy: 1.6287108524231848
Energy: 1.446329752031621
Energy: 1.6287108524231848
Energy: 1.7645976994079144
Energy: 1.5554764134900676
Energy: 1.3157745597634152
Energy: 1.5554764134900676
Energy: 1.7616862306153351
Energy: 1.8119187663571317
Energy: 1.6065186789338022
Energy: 1.811918766355676
Energy: 1.6368223951068803
Energy: 1.7730815215110713
Energy: 2.0403975706755917
Energy: 1.7730815215103437
Energy: 1.6918015248825569
Energy: 2.083518282526502
Energy: 2.038235572844504
Energy: 2.0835182825257736
Energy: 1.9145034801375687
Energy: 1.9979308199121721
Energy: 1.6303914927281038
Energy: 1.9979308199121721
Energy: 1.88965420360664
Energy: 1.5197025192875915
Energy: 1.4021021014053683
Energy: 1.5197025192861355
Energy: 1.6002137945489425
Energy: 1.8143156228634798
Energy: 1.6385223187117464
Energy: 1.8143156228627522
Energy: 1.3319397922885392
Energy: 1.6504772500208589
Energy: 1.690257644471277
Energy: 1.6504772500215867
Energy: 1.3948415598268353
Energy: 1.8078019291167822
Energy: 1.5751011977849751
Energy: 1.8078019291175098
Energy: 1.613676159040292
Energy: 1.5164905301028793
Energy: 1.5826716541851356
Energy: 1.5164905301014235
Energy: 1.6570995812513316
Energy: 1.837367441082884
Energy: 1.6747494662635891
Energy: 1.837367441082884
Energy: 1.712577291649919
Energy: 1.6997748690680734
Energy: 1.6057611829147935
Energy: 1.699774869105194
Energy: 1.6416297181458914
Energy: 1.87758250132805
Energy: 1.8130386146146908
Energy: 1.8775825013273222
Energy: 1.3585150077865797
Energy: 1.593576253822594
Energy: 1.5947995674263338
Energy: 1.5935762538211382
Energy: 1.5507809641802461
Energy: 1.9614762782026827
Energy: 1.5716049955726323
Energy: 1.9614762782026827
Energy: 1.35989415354612
Energy: 1.4916128826690969
Energy: 1.5315663485396187
Energy: 1.4916128826690969
Energy: 1.5688714408971165
Energy: 1.7727126664681676
Energy: 1.8270693393445303
Energy: 1.77271266646744
Energy: 1.8937265072385174
Energy: 1.799328012078503
Energy: 1.702863399653665
Energy: 1.799328012077775

minimum gb energy = 1.3157745597634152 eV
minimum distance =  2.46285875991008 Angstroms
sigma value = 53


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

Energy: 1.6825930217889424
Energy: 1.6287997519485673
Energy: 1.651287978699831
Energy: 1.4030666066336894
Energy: 1.4233834685512352
Energy: 1.7063010084942711
Energy: 1.7843982093882285
Energy: 1.7063010084942711
Energy: 1.4528715635065819
Energy: 1.7874216990022813
Energy: 1.401992171169991
Energy: 1.7874216990006058
Energy: 1.6290688070813095
Energy: 1.8026231460491111
Energy: 1.782761385653589
Energy: 1.8026231460474353
Energy: 1.4082916767848719
Energy: 1.420330753887954
Energy: 1.2337035041354822
Energy: 1.4203307538862784
Energy: 1.4741855966873587
Energy: 1.7032663590103285
Energy: 1.2580620248262209
Energy: 1.7032663585698276
Energy: 1.8005635516964444
Energy: 1.7277466611783925
Energy: 1.5200439063326927
Energy: 1.7277466611984997
Energy: 1.9173351025327532
Energy: 1.870212269176509
Energy: 1.8129485348248682
Energy: 1.870212269176509
Energy: 1.4535489772957848
Energy: 2.005013903156135
Energy: 1.5094370454118995
Energy: 2.005013903157811
Energy: 1.4216088340523336
Energy: 1.9159323891810296
Energy: 1.66669719144772
Energy: 1.9159323891810296
Energy: 1.406371256559694
Energy: 1.4244589108166545
Energy: 1.4306915507512998
Energy: 1.4244589108166545
Energy: 1.4281537225344851
Energy: 1.7014611114384213
Energy: 1.2313041177518902
Energy: 1.7014611114384213
Energy: 1.9163548722546848
Energy: 1.8109712064522347
Energy: 1.5212510383998783
Energy: 1.8109712064522347

minimum gb energy = 1.2313041177518902 eV
minimum distance =  2.45234698717483 Angstroms
sigma value = 9


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

Energy: 1.616614193732567
Energy: 1.8318914496952676
Energy: 1.7807026218304012
Energy: 1.7402298257984807
Energy: 1.9063467584996898
Energy: 1.8169973857540593
Energy: 1.8687380206399886
Energy: 1.8169973857546795
Energy: 1.527502265268104
Energy: 1.6911789195802833
Energy: 1.5067392935722266
Energy: 1.6911789195778029
Energy: 1.5064922016551965
Energy: 1.7068045673419818
Energy: 1.8552678630925534
Energy: 1.7068045673407413
Energy: 1.4198214406499368
Energy: 1.6648925626535829
Energy: 1.7989407692663817
Energy: 1.664892562654203
Energy: 1.753957049620777
Energy: 1.844998757087646
Energy: 1.8576221168984086
Energy: 1.844998757087646
Energy: 1.818641615341387
Energy: 2.097647370019563
Energy: 1.8064285849033905
Energy: 2.0976473700189424
Energy: 1.9876222727655353
Energy: 1.9273053817364225
Energy: 1.7415046023854746
Energy: 1.9273053817358023
Energy: 1.598153405413628
Energy: 1.8025815709902857
Energy: 1.5023180071652056
Energy: 1.8025815709896655
Energy: 1.4355113167090354
Energy: 1.6956719640448004
Energy: 1.7282872612579794
Energy: 1.695671964046041
Energy: 1.4801092359857488
Energy: 1.656928407105433
Energy: 1.9254214723628416
Energy: 1.656928407105433
Energy: 1.7418506542414276
Energy: 1.9490824128691224
Energy: 1.621139829715538
Energy: 1.9490824128685023
Energy: 1.965596107948233
Energy: 1.8847473836238786
Energy: 1.7608084265397317
Energy: 1.8847473836238786
Energy: 1.8216128263967064
Energy: 1.777554841023334
Energy: 1.489007156238715
Energy: 1.7775548410220936
Energy: 1.8273073329333414
Energy: 1.8350671674061017
Energy: 1.5778010675047445
Energy: 1.835067167404861
Energy: 1.3954826846171382
Energy: 1.6788851468927517
Energy: 1.5860251179517002
Energy: 1.6788851468933716
Energy: 1.7196122487104173
Energy: 1.8722404174397405
Energy: 1.8211194185426505
Energy: 1.8722404174397405
Energy: 1.7339967752009031
Energy: 2.0097040349144937
Energy: 1.6178896172053825
Energy: 2.009704034966532
Energy: 1.8768554012358933
Energy: 1.8179830917151296
Energy: 1.9359915052232883
Energy: 1.8179830917157496
Energy: 1.5054936765923081
Energy: 1.7517399359278367
Energy: 1.5275174520739216
Energy: 1.751739935928457
Energy: 1.8739026793776934
Energy: 1.6771661747305509
Energy: 1.4398976663734158
Energy: 1.6771661747305509
Energy: 1.8006742548666348
Energy: 1.6023928147565212
Energy: 1.3855392994461821
Energy: 1.6023928147552808
Energy: 1.6999240031601208
Energy: 1.9359294607915087
Energy: 1.7539767229829744
Energy: 1.9359294607921287
Energy: 1.8380731305120905
Energy: 2.1387408613185714
Energy: 1.9093007142420186
Energy: 2.1387408613297345
Energy: 1.7399059464545144
Energy: 1.9063847502551647
Energy: 2.0631510095637364
Energy: 1.906384750256405
Energy: 1.5010343910294368
Energy: 1.8480758756336606
Energy: 1.5655730562287204
Energy: 1.8480758756324205
Energy: 1.7387300626376847
Energy: 1.667531451692714
Energy: 1.2758734843789532
Energy: 1.6675314516920936
Energy: 1.9247046328655943
Energy: 1.649921885676398
Energy: 1.5300032411836788
Energy: 1.6499218856770181
Energy: 1.6187383648877218
Energy: 1.6803564901616526
Energy: 1.7265322613700196
Energy: 1.6803564901666137
Energy: 1.8256815647080153
Energy: 1.7798197292010152
Energy: 1.962811984343777
Energy: 1.7798197292016353
Energy: 1.490098504957814
Energy: 1.8840171033780393
Energy: 1.7199909368436812
Energy: 1.8840171033792799
Energy: 1.5762702024750601
Energy: 1.8232922087047811
Energy: 1.7994365968454258
Energy: 1.8232922087047811
Energy: 1.3092426426759585
Energy: 1.700487890660239
Energy: 1.4411458557033523
Energy: 1.700487890660239
Energy: 1.8210601258320593
Energy: 1.772708356386583
Energy: 1.8164213536770302
Energy: 1.7727083563872033
Energy: 1.6192261200639335
Energy: 2.0334539198054893
Energy: 1.7344439459160357
Energy: 2.0334539198061097

minimum gb energy = 1.2758734843789532 eV
minimum distance =  2.40306465884347 Angstroms
sigma value = 73


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

Energy: 1.6802070589697056
Energy: 1.9775234557289842
Energy: 1.7562268817293192
Energy: 1.9702085101291698
Energy: 1.8957682003931926
Energy: 1.8738910254944416
Energy: 1.9688315715329419
Energy: 1.8738910254944416
Energy: 1.461229207251814
Energy: 1.7444478503943397
Energy: 1.4488060285810016
Energy: 1.7444478503953238
Energy: 1.4667311022066616
Energy: 1.7286432403418865
Energy: 1.8513486863017752
Energy: 1.7286432403418865
Energy: 1.3528580672591066
Energy: 1.7461591026444858
Energy: 1.8365825944402083
Energy: 1.7461591026444858
Energy: 1.775611197830935
Energy: 1.8593763993345378
Energy: 1.8502389049186234
Energy: 1.8593763993345378
Energy: 1.9990376204053995
Energy: 2.0027275915248715
Energy: 1.812763384909245
Energy: 2.0027275915248715
Energy: 1.80802258032053
Energy: 1.9241379366636702
Energy: 1.7885046195677745
Energy: 1.9241379366636702
Energy: 1.803069775683339
Energy: 1.6627544306580588
Energy: 1.5402511133341907
Energy: 1.662754430659043
Energy: 1.382889327263861
Energy: 1.713238939575918
Energy: 1.770411150160052
Energy: 1.713238939574934
Energy: 1.5755304474215097
Energy: 1.715728067369649
Energy: 1.991431413049227
Energy: 1.715728067368665
Energy: 1.649758430922922
Energy: 1.9930779170786788
Energy: 1.5290193448853984
Energy: 1.9930779170786788
Energy: 1.794557508783191
Energy: 1.828090700754402
Energy: 1.6985025628080057
Energy: 1.8280907007534182
Energy: 1.449940403495281
Energy: 1.6791226322587933
Energy: 1.5042594549700063
Energy: 1.6791226322587933
Energy: 1.7888468768297197
Energy: 1.7210432680225527
Energy: 1.4813205256269897
Energy: 1.7210432680235368
Energy: 1.6876866970601077
Energy: 1.7965848193381817
Energy: 1.6456151325504935
Energy: 1.7965848193371976
Energy: 1.8479353416595126
Energy: 1.9042332300930644
Energy: 1.831295897609597
Energy: 1.9042332300940485
Energy: 1.7883738785990082
Energy: 2.0387498012610235
Energy: 1.9954095077696758
Energy: 2.0387498012610235
Energy: 1.7837966180691438
Energy: 1.733198532002167
Energy: 1.9364599873393584
Energy: 1.733198532002167
Energy: 1.4677791228523738
Energy: 1.6591877891576952
Energy: 1.8108070526036726
Energy: 1.6591877891576952
Energy: 1.730526562604781
Energy: 1.7137812493416706
Energy: 1.3496703388516624
Energy: 1.713781249340709
Energy: 2.027331221402359
Energy: 1.8391501274821338
Energy: 1.656539687728923
Energy: 1.8391501274821338

minimum gb energy = 1.3496703388516624 eV
minimum distance =  2.44817716910416 Angstroms
sigma value = 7


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

Energy: 1.8870060252744252
Energy: 1.948694983072128
Energy: 1.7802367284601401
Energy: 1.9682894932314434
Energy: 1.75857511118859
Energy: 1.7609120594481174
Energy: 1.8789267437569843
Energy: 1.7609120594481174
Energy: 1.5238568394165255
Energy: 1.7635910138993967
Energy: 1.4708909267405375
Energy: 1.7635910139000923
Energy: 1.436053445384818
Energy: 1.5940308885460885
Energy: 1.7284956660221853
Energy: 1.5940308884960248
Energy: 1.5526101844751667
Energy: 1.8075851765992144
Energy: 1.6985396989555404
Energy: 1.8075851765978226
Energy: 1.7124899742728725
Energy: 1.88868226761723
Energy: 1.765226030830756
Energy: 1.8886822676144468
Energy: 1.6740103677366374
Energy: 1.9622729022304657
Energy: 1.6593736342695495
Energy: 1.96227290222977
Energy: 1.8501686318019266
Energy: 1.6293431409070087
Energy: 1.478519582384256
Energy: 1.6293431409077046
Energy: 1.7662229618155985
Energy: 1.6247536024579994
Energy: 1.3457768639387493
Energy: 1.6247536024579994
Energy: 1.4491467834171974
Energy: 1.7995471013200204
Energy: 1.6246309312423182
Energy: 1.7995471013193247
Energy: 1.9090285134490816
Energy: 1.9655326799844097
Energy: 2.171929695073284
Energy: 1.9655326799837143
Energy: 1.7137412689940137
Energy: 2.055974359414712
Energy: 1.6692421488954825
Energy: 2.055974359416072
Energy: 1.637268260382474
Energy: 1.6273431307549873
Energy: 1.7166162930931306
Energy: 1.6273431307535955
Energy: 1.3410051660667928
Energy: 1.685163219123698
Energy: 1.2682773991038936
Energy: 1.685163219124394
Energy: 1.8043026314766242
Energy: 1.7105501071624785
Energy: 1.4872982108613013
Energy: 1.710550105099746
Energy: 1.8905857714477172
Energy: 1.89844573006997
Energy: 1.7153452921190295
Energy: 1.8984457300685784
Energy: 2.033915707302549
Energy: 1.8686346732233599
Energy: 1.9072557124973568
Energy: 1.8686346732226642
Energy: 1.6085718971363028
Energy: 1.7034898260685767
Energy: 1.379197408376649
Energy: 1.7034898260699682
Energy: 1.383249373771158
Energy: 1.5384641288149217
Energy: 1.8026127930786924
Energy: 1.5384641288149217
Energy: 1.4771513211797906
Energy: 1.678945271970927
Energy: 2.0392303873363287
Energy: 1.678945271970927
Energy: 1.6554728375500534
Energy: 1.9292286542376276
Energy: 1.5304298749723828
Energy: 1.9292286542376276
Energy: 1.7286342891607003
Energy: 1.9168793682118488
Energy: 1.6571162327372926
Energy: 1.9168793682118488
Energy: 1.8102142857119803
Energy: 1.7817463633895878
Energy: 1.5039000020829942
Energy: 1.7817463633916752
Energy: 1.6587122975444912
Energy: 1.6684111612979629
Energy: 1.3899889140049604
Energy: 1.6684111612972672
Energy: 1.4514400169670347
Energy: 1.7172779872142496
Energy: 1.6073084747639244
Energy: 1.717277987213554
Energy: 1.8235455582159161
Energy: 1.8853434549164114
Energy: 1.6234248362208352
Energy: 1.8853434549164114
Energy: 1.7105538747817215
Energy: 1.8213253057301828
Energy: 1.665397043294637
Energy: 1.8213253057288232
Energy: 1.7132348569777158
Energy: 1.6707044410756748
Energy: 1.6317076749230248
Energy: 1.670704441074979
Energy: 1.337589467283678
Energy: 1.628382185986859
Energy: 1.6507159866717775
Energy: 1.628382185986859
Energy: 1.697822269232125
Energy: 1.7512925768510457
Energy: 1.313341865944198
Energy: 1.7512925768489584
Energy: 1.9461948747648592
Energy: 1.866187914123141
Energy: 1.730766469029041
Energy: 1.8661879141245326

minimum gb energy = 1.2682773991038936 eV
minimum distance =  2.45775416187972 Angstroms
sigma value = 29


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

Energy: 1.0877280964693465
Energy: 1.6586776461162103
Energy: 1.4303134415148762
Energy: 1.4990925039354448
Energy: 1.7426086551642002
Energy: 1.6251963835988195
Energy: 1.5055610219240114
Energy: 1.6251963835988195
Energy: 1.49128686989377
Energy: 1.6610625604421851
Energy: 1.4158490703335427
Energy: 1.6610625604424274
Energy: 1.4786401871598558
Energy: 1.1092857989001739
Energy: 1.4337331506880147
Energy: 1.1092857989020586
Energy: 1.4272760853117368
Energy: 1.6529687142256528
Energy: 1.090634230180356
Energy: 1.6529687142254106
Energy: 1.432644355078216
Energy: 1.5626894612370177
Energy: 1.0904553923865175
Energy: 1.5626894612363176
Energy: 1.0958971107887017
Energy: 1.5632962391512963
Energy: 1.492467025266883
Energy: 1.5632962391508116
Energy: 1.1845088648275381
Energy: 1.264386014734072
Energy: 1.427784678358398
Energy: 1.2643860147250778
Energy: 1.4304692900198914
Energy: 1.635308001937402
Energy: 1.1094979989736335
Energy: 1.6353080019376443

minimum gb energy = 1.0877280964693465 eV
minimum distance =  2.5153956229575 Angstroms
sigma value = 5


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

Energy: 1.4743763748507615
Energy: 1.9098271757502578
Energy: 1.781656467368674
Energy: 1.9001847162927505
Energy: 1.825244136580903
Energy: 1.4303523921070433
Energy: 1.398611105692968
Energy: 1.4303523919007606
Energy: 1.3995509858590516
Energy: 1.7300786151758885
Energy: 1.3061877552901813
Energy: 1.7300786151758885
Energy: 1.1318720426813926
Energy: 1.6484893950286366
Energy: 1.5708255827089332
Energy: 1.6484893950279793
Energy: 1.8777824578774198
Energy: 1.848710886927624
Energy: 1.9216180613793417
Energy: 1.8487108869282813
Energy: 1.493664549857632
Energy: 1.6245274957212328
Energy: 1.8624265923711552
Energy: 1.6245274956509381
Energy: 1.1382367305032413
Energy: 1.6115215602289137
Energy: 1.7010241666128654
Energy: 1.611521560229571
Energy: 1.1394639974220757
Energy: 1.7879868101524918
Energy: 1.478867317029952
Energy: 1.787986810153149
Energy: 1.7770117907694205
Energy: 1.6897768937435638
Energy: 1.6474040992313972
Energy: 1.6897768937429065
Energy: 1.3018175629616313
Energy: 1.9054608115805238
Energy: 1.6555298134123446
Energy: 1.9054608115811809
Energy: 1.7993946446961897
Energy: 1.7116844046984767
Energy: 1.1434136756958941
Energy: 1.711684404699134
Energy: 1.6983503163166678
Energy: 1.7893528758112707
Energy: 1.2769605264964219
Energy: 1.7893528758112707
Energy: 1.480629318602953
Energy: 1.917826277618772
Energy: 1.7561398326192408
Energy: 1.917826277618772
Energy: 1.5867816824308407
Energy: 1.8471577080657051
Energy: 1.308578341451062
Energy: 1.8471577080663624
Energy: 1.1433139253658247
Energy: 1.6908387034633747
Energy: 1.4175271143077122
Energy: 1.6908387034633747
Energy: 1.126548435380427
Energy: 1.5968447306622209
Energy: 1.7566897921192333
Energy: 1.5968447306628781
Energy: 1.7937431914612691
Energy: 1.9660277325330273
Energy: 1.8894596598162317
Energy: 1.9660277325336846
Energy: 1.7749484635985837
Energy: 1.6543017931880568
Energy: 1.7628140525685891
Energy: 1.654301793188714
Energy: 1.305193989699174
Energy: 1.6560153603558148
Energy: 1.4062596331242179
Energy: 1.6560153603551575
Energy: 1.6038586575521245
Energy: 1.650712739486871
Energy: 1.1292733465016298
Energy: 1.650712739486871
Energy: 1.8623831523722285
Energy: 1.70635982405784
Energy: 1.882410065242731
Energy: 1.7063598240565256
Energy: 1.6884438966164033
Energy: 1.7386902429885707
Energy: 1.5983973383751908
Energy: 1.7386902429885707
Energy: 1.6981526988048772
Energy: 1.6086893900022825
Energy: 1.1402351154724162
Energy: 1.6086893900029395
Energy: 1.4821387859902835
Energy: 1.7011397923737832
Energy: 1.1392482462205091
Energy: 1.701139792373126
Energy: 1.7141192580690108
Energy: 1.7845612617941096
Energy: 1.7952940401649344
Energy: 1.7845612617934523
Energy: 1.6599485998260874
Energy: 1.8924556365760354
Energy: 1.3012852808193773
Energy: 1.8924556365760354
Energy: 1.1462316426764285
Energy: 1.3592914173192308
Energy: 1.803549930611319
Energy: 1.3592914173185735
Energy: 1.1498999752647114
Energy: 1.4438753346944326
Energy: 1.923871197485282
Energy: 1.4438753346950899
Energy: 1.6376328160750695
Energy: 1.9511365261246811
Energy: 1.4785764131693142
Energy: 1.9511365261259956
Energy: 1.5326371187520635
Energy: 1.8021281352960725
Energy: 1.6338871084266604
Energy: 1.8021281352954153
Energy: 1.438137308464902
Energy: 1.6881512162073702
Energy: 1.1393994458946677
Energy: 1.6881512162080274
Energy: 1.7051085610291419
Energy: 1.4648778901498853
Energy: 1.1229911307698621
Energy: 1.4648778901518569
Energy: 1.8919757726158855
Energy: 1.9654791312485145
Energy: 1.8200767515422338
Energy: 1.9654791312478574

minimum gb energy = 1.1229911307698621 eV
minimum distance =  2.39522314752044 Angstroms
sigma value = 1


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

Energy: 1.5650099288928325
Energy: 1.9064275365790173
Energy: 1.7536329414570426
Energy: 1.8879279009216208
Energy: 1.9704328321375955
Energy: 1.4913128210847943
Energy: 1.4689194891218071
Energy: 1.4913128210829767
Energy: 1.4303433525799654
Energy: 1.6607465695163597
Energy: 1.3319884874491357
Energy: 1.6607465695163597
Energy: 1.0864476846396134
Energy: 1.7340869645506023
Energy: 1.6239722219718289
Energy: 1.7340869645496937
Energy: 1.8384528698743088
Energy: 1.7445394871072846
Energy: 1.9365034710805016
Energy: 1.7445394871072846
Energy: 1.4565235306885211
Energy: 1.7392145289405796
Energy: 1.918799047059704
Energy: 1.739214528938762
Energy: 1.0995981971448847
Energy: 1.0758496181414872
Energy: 1.6680616389566174
Energy: 1.0758496181405781
Energy: 1.1033149157020317
Energy: 1.8178268226057361
Energy: 1.5709769443415074
Energy: 1.8178268226048273
Energy: 1.9236307647260606
Energy: 1.8544469824597087
Energy: 1.7582379125798133
Energy: 1.8544469824588004
Energy: 1.3251095058275166
Energy: 1.8562993419009484
Energy: 1.4079027738685521
Energy: 1.8562993419009484
Energy: 1.8569363591888914
Energy: 1.636541621441831
Energy: 1.099539066084969
Energy: 1.636541621440922
Energy: 1.767844292496369
Energy: 1.6225854193083238
Energy: 1.4765872109355382
Energy: 1.6225854193092324
Energy: 1.5699056584060473
Energy: 1.7308381652011042
Energy: 1.829108685653695
Energy: 1.7308381652001954
Energy: 1.8711873246962578
Energy: 1.4431675847967789
Energy: 1.3325056740156322
Energy: 1.443167584797688
Energy: 1.0852880516679295
Energy: 1.599214833405522
Energy: 1.3892559822796753
Energy: 1.599214833405522
Energy: 1.2515368311619655
Energy: 1.4564883653704885
Energy: 1.7432071033332959
Energy: 1.4564883653704885
Energy: 1.7561615565032604
Energy: 1.9719346159872333
Energy: 1.8540284650549272
Energy: 1.9719346159881421
Energy: 1.2883912737256076
Energy: 1.2399096993116028
Energy: 1.8991639150499107
Energy: 1.2399096992988805
Energy: 1.1033256754837408
Energy: 1.3492043485826515
Energy: 1.833677546264107
Energy: 1.3492043485790164
Energy: 1.6045506676545205
Energy: 1.8607095128796074
Energy: 1.5703260783648572
Energy: 1.86070951287779
Energy: 1.6039809431317271
Energy: 1.8083312432125092
Energy: 1.7570545148603878
Energy: 1.8083312432125092
Energy: 1.326042368523556
Energy: 1.5978120692640878
Energy: 1.387761221475916
Energy: 1.5978120692649966
Energy: 1.8904504817175578
Energy: 1.396013620901649
Energy: 1.073607952726755
Energy: 1.396013620901649
Energy: 1.5694775868344126
Energy: 1.5748689043355308
Energy: 1.7577348614966894
Energy: 1.5748689043364394

minimum gb energy = 1.073607952726755 eV
minimum distance =  2.41377149019798 Angstroms
sigma value = 17


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

Energy: 1.6614013289737795
Energy: 1.9301990235929682
Energy: 1.7928897086154483
Energy: 1.813059957959136
Energy: 2.0644408017848317
Energy: 1.3385361083869896
Energy: 1.449838732191246
Energy: 1.338536108387551
Energy: 1.5671955845332126
Energy: 1.6116840833255603
Energy: 1.213937142537423
Energy: 1.6116840833255603
Energy: 1.3597790514681902
Energy: 1.7945297544619043
Energy: 1.6023173259969739
Energy: 1.7945297544613428
Energy: 1.8033351722315536
Energy: 1.835558028044802
Energy: 1.6336907950099007
Energy: 1.8355580280436787
Energy: 1.1800621423709876
Energy: 1.609384421369101
Energy: 1.8575228383783795
Energy: 1.6093844213707864
Energy: 1.0853004741781707
Energy: 1.5401807975295279
Energy: 1.9376744169750428
Energy: 1.5401807975300896
Energy: 1.2329749588180852
Energy: 1.9058914282676418
Energy: 1.6657982396137196
Energy: 1.90589142826708
Energy: 1.7334544348969332
Energy: 1.619138248101392
Energy: 1.9369844015798692
Energy: 1.6191382481019536
Energy: 1.208617406199432
Energy: 1.7766351104282239
Energy: 1.561306013185635
Energy: 1.7766351104282239
Energy: 1.717319402055061
Energy: 1.4538658784935952
Energy: 1.061420155881815
Energy: 1.4538658784935952
Energy: 1.9405507719425874
Energy: 1.664811776166729
Energy: 1.5735812977049641
Energy: 1.6648117760044565
Energy: 1.8794615891942044
Energy: 1.5041852738434411
Energy: 1.4421544913907318
Energy: 1.5041852738361392
Energy: 1.855870703241332
Energy: 1.2637396271657217
Energy: 1.0578867609905747
Energy: 1.26373962716516
Energy: 1.3618999380827754
Energy: 1.6270158950213687
Energy: 1.082871884475304
Energy: 1.6270158950213687
Energy: 1.7654699332724935
Energy: 1.753483558398363
Energy: 1.9452139541972964
Energy: 1.753483558398363
Energy: 1.5373663533657707
Energy: 1.9055786184597572
Energy: 1.5099226224533562
Energy: 1.9055786184597572
Energy: 1.0745575435327999
Energy: 1.2836009278487885
Energy: 1.8499566612802392
Energy: 1.2836009278504734
Energy: 1.2730606076583963
Energy: 1.0565707375171827
Energy: 2.0147153424248683
Energy: 1.0565707375008941
Energy: 1.8125350830900082
Energy: 2.0027222955160533
Energy: 1.6624521867818474
Energy: 2.00272229551493
Energy: 1.4466005122068897
Energy: 1.3410892282278304
Energy: 1.9296876501850477
Energy: 1.3410892281845814
Energy: 1.219169581047009
Energy: 1.6577355332864336
Energy: 1.4907155138830293
Energy: 1.6577355332853103
Energy: 1.9136699135342954
Energy: 1.725878784299421
Energy: 1.3635137722283437
Energy: 1.7258787842988594
Energy: 1.512926595600363
Energy: 2.020923396883949
Energy: 1.7675341795766186
Energy: 2.020923396883949
Energy: 1.8784298336445042
Energy: 1.4178812625498276
Energy: 1.176704143165684
Energy: 1.4178812625487043
Energy: 1.9319505271129693
Energy: 1.541193683499848
Energy: 1.0874540648490887
Energy: 1.5411936835004096
Energy: 1.662572196101098
Energy: 1.9076967485640461
Energy: 1.741261415746955
Energy: 1.9076967485651695
Energy: 1.9888571548128966
Energy: 1.6485070831225819
Energy: 1.7343429994408501
Energy: 1.6485070831237052
Energy: 1.5582887454806593
Energy: 1.702786289848627
Energy: 1.2110116530481874
Energy: 1.702786289848627
Energy: 1.0629530777170115
Energy: 1.3280671295371607
Energy: 1.7210277433037549
Energy: 1.3280671295365991
Energy: 1.7088331058749098
Energy: 1.6650208076109423
Energy: 1.9668989375586678
Energy: 1.6650208076109423
Energy: 1.4346724751846733
Energy: 1.5038925532392458
Energy: 1.9170185710155243
Energy: 1.5038925532398075
Energy: 1.0723443833702921
Energy: 1.0635180590467932
Energy: 1.7450162052580775
Energy: 1.0635180590462314
Energy: 1.0861921193097115
Energy: 1.6477523449313378
Energy: 1.3587250885260471
Energy: 1.6477523449330227
Energy: 1.9616810273213952
Energy: 1.7796575725587536
Energy: 1.825376436967151
Energy: 1.7796575725587536
Energy: 1.5090276323462435
Energy: 1.7866032454366914
Energy: 1.537734292584506
Energy: 1.7866032454687066
Energy: 1.8508537600967958
Energy: 1.573644955043844
Energy: 1.0723681850363642
Energy: 1.573644955043844
Energy: 1.9652994181773555
Energy: 1.2671646962387935
Energy: 1.273668816941284
Energy: 1.2671646962387935

minimum gb energy = 1.0565707375008941 eV
minimum distance =  2.4803489335619 Angstroms
sigma value = 89


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

Energy: 1.9849325175365022
Energy: 1.9141323643035524
Energy: 1.7784307012248084
Energy: 1.747611264540448
Energy: 1.9894360976259493
Energy: 1.703520668600323
Energy: 1.5453000907398835
Energy: 1.703520668600323
Energy: 1.2670327589691397
Energy: 1.485105526610383
Energy: 1.4699533899182193
Energy: 1.485105526610383
Energy: 1.149721454602556
Energy: 1.4207501828210607
Energy: 1.8205319843930665
Energy: 1.420750182819591
Energy: 1.7900589754888019
Energy: 1.643835780187251
Energy: 1.5439084522298536
Energy: 1.643835780187251
Energy: 1.5958853182637955
Energy: 1.6030252937262461
Energy: 1.5931231471320026
Energy: 1.6030252937262461
Energy: 1.1515141838386633
Energy: 1.249528068989119
Energy: 1.8071693632716
Energy: 1.249528068989119
Energy: 1.2817458744110275
Energy: 1.8330884692896428
Energy: 1.8398576389425974
Energy: 1.8330884692896428
Energy: 1.660181837981941
Energy: 1.6517234479887293
Energy: 1.7492226079610353
Energy: 1.6517234479872593
Energy: 1.5791916316380779
Energy: 1.7739410669227431
Energy: 1.4417043998615933
Energy: 1.7739410669227431
Energy: 1.8008802429857227
Energy: 1.6703697698523687
Energy: 1.147418303575689
Energy: 1.6703697698538384
Energy: 1.8474008988533457
Energy: 1.6290584433728057
Energy: 1.690479110019431
Energy: 1.6290584433728057
Energy: 1.592991465761901
Energy: 1.579933135268379
Energy: 1.6317266046229826
Energy: 1.579933135269849
Energy: 1.8261138701051147
Energy: 1.026282211273379
Energy: 1.0249044753046526
Energy: 1.026282211273379
Energy: 2.050987030000556
Energy: 1.3438251409828739
Energy: 1.1428283200542324
Energy: 1.3438251409814042

minimum gb energy = 1.0249044753046526 eV
minimum distance =  2.47332320529432 Angstroms
sigma value = 13


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

Energy: 1.5326119388677442
Energy: 1.8315490917347006
Energy: 1.7692104752099291
Energy: 1.7183347772162785
Energy: 1.9552221140616683
Energy: 1.1597310633981872
Energy: 1.2851882054019526
Energy: 1.1597310653246762
Energy: 1.5961322588444407
Energy: 1.447903750775362
Energy: 1.0664180114128123
Energy: 1.4479037507741301
Energy: 1.2001261791103288
Energy: 1.877356144223435
Energy: 1.797078953685967
Energy: 1.877356144222819
Energy: 1.777222915170112
Energy: 1.708609327382136
Energy: 1.373601882935828
Energy: 1.7086093273802878
Energy: 1.110861307948858
Energy: 1.5165073769848416
Energy: 1.5067536360387717
Energy: 1.5165073769860735
Energy: 1.1075469026523383
Energy: 1.1588414188359106
Energy: 1.8936167322168695
Energy: 1.158841418850078
Energy: 1.429713577288144
Energy: 1.789067429811141
Energy: 1.7354654400135001
Energy: 1.7890674298154527
Energy: 1.033208990342894
Energy: 1.0252777029224742
Energy: 1.9126713298817575
Energy: 1.0252777029224742
Energy: 0.9273589476429676
Energy: 0.9279384373060418
Energy: 1.7941911992469597
Energy: 0.9279384373103535
Energy: 1.6721794637310665
Energy: 1.2745352196108577
Energy: 1.5329454416229567
Energy: 1.2745352197598676
Energy: 1.4445830734220373
Energy: 1.542692600956395
Energy: 1.8649391611232575
Energy: 1.542692600956395
Energy: 1.372527224262319
Energy: 1.5598529178989493
Energy: 1.5072782409101024
Energy: 1.5598529178983334
Energy: 1.760960221965849
Energy: 1.6159619664185843
Energy: 1.2006094417365902
Energy: 1.6159619664204323
Energy: 1.818355315118542
Energy: 1.5654062823256973
Energy: 1.6531687435625693
Energy: 1.5654062823256973
Energy: 1.7391434777333479
Energy: 1.2683171806181008
Energy: 1.0215504728557518
Energy: 1.2683171806205649
Energy: 1.9118018963534613
Energy: 0.9237733124206581
Energy: 0.927852672185892
Energy: 0.923773312420042
Energy: 1.5345001415029456
Energy: 1.349375307278807
Energy: 1.21286280552847
Energy: 1.349375310406559
Energy: 1.86038069671011
Energy: 1.3321045830602884
Energy: 1.2861772451484128
Energy: 1.3321045830578246
Energy: 1.7926161544671684
Energy: 1.4938396769272948
Energy: 1.0615674639199588
Energy: 1.493839676927911
Energy: 1.1974417126022983
Energy: 1.855455866255197
Energy: 1.6223918258497056
Energy: 1.8554558662570448
Energy: 1.7783678717736182
Energy: 1.6986577076944056
Energy: 1.5567742092311356
Energy: 1.6986577076944056
Energy: 1.3236185025038623
Energy: 1.5792137307280267
Energy: 1.4212028573899
Energy: 1.5792137307298744
Energy: 0.9222778960641089
Energy: 1.1523461793719798
Energy: 1.8379373102514953
Energy: 1.1523461793725958
Energy: 1.4250161480318728
Energy: 1.4291491240124325
Energy: 1.8072436073073987
Energy: 1.4291491240105845
Energy: 1.220861929735099
Energy: 1.4096792741155586
Energy: 1.8415651275099316
Energy: 1.4096792742633368
Energy: 0.9232940740960267
Energy: 0.9225515250732761
Energy: 1.794536194156357
Energy: 0.922551525074508
Energy: 1.2889587761914314
Energy: 1.4296019555007642
Energy: 1.535329199719463
Energy: 1.4296019555093877
Energy: 1.6455595922172945
Energy: 1.5453845432695505
Energy: 1.8412287494971937
Energy: 1.5453845432689344
Energy: 1.0606363725895334
Energy: 1.5122519976499855
Energy: 1.5602305382776227
Energy: 1.5122519976524493
Energy: 1.6381080794908929
Energy: 1.5578598030639754
Energy: 1.1980109992443633
Energy: 1.5578598030633592
Energy: 1.7091722132142768
Energy: 1.623996285110692
Energy: 1.6075131232457285
Energy: 1.6239962851094603
Energy: 1.7735458514368019
Energy: 1.269499540380285
Energy: 1.0276394563083426
Energy: 1.269499540379053
Energy: 1.9033205066330972
Energy: 0.9237604406856893
Energy: 0.9239927018068691
Energy: 0.9237604406850732
Energy: 2.002375208661647
Energy: 1.1199696970849398
Energy: 1.1159240373817838
Energy: 1.1199696970855557

minimum gb energy = 0.9222778960641089 eV
minimum distance =  2.48701869361079 Angstroms
sigma value = 37


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

Energy: 1.3253366356155742
Energy: 1.3649366895831483
Energy: 1.4217928589023252
Energy: 0.8991394061679789
Energy: 1.8138584946094116
Energy: 1.2309922364546457
Energy: 1.1436624037668137
Energy: 1.2309922364535861
Energy: 1.427960696278473
Energy: 1.4682984457998591
Energy: 1.1461226150324686
Energy: 1.4682984457998591
Energy: 1.3303425376478764
Energy: 1.6376151866720459
Energy: 1.7604700725678446
Energy: 1.6376151866720459
Energy: 1.732840797385569
Energy: 1.7252744641294955
Energy: 1.0841255041897104
Energy: 1.7252744641294955
Energy: 1.0121858454112826
Energy: 1.2355391689056452
Energy: 1.6315736187966676
Energy: 1.2355391689045854
Energy: 0.8418542065381167
Energy: 1.229613501434255
Energy: 1.817959034769764
Energy: 1.229613501434255
Energy: 1.4813438958798688
Energy: 1.494942220327522
Energy: 1.6738788983233297
Energy: 1.494942220327522
Energy: 1.012235546894464
Energy: 1.342098457583288
Energy: 1.686804725661181
Energy: 1.3420984575822281
Energy: 0.84706139515695
Energy: 0.8463281516914868
Energy: 1.8973777003999481
Energy: 0.8463281516904271
Energy: 1.4219141253805334
Energy: 0.8991394061690388
Energy: 1.3253366356145146
Energy: 1.3649366895831483
Energy: 1.1436624037668137
Energy: 1.2309922364535861
Energy: 1.8138584946094116
Energy: 1.2309922364535861
Energy: 1.1461226150324686
Energy: 1.4682984457998591
Energy: 1.427960696278473
Energy: 1.4682984457998591
Energy: 1.7604700725678446
Energy: 1.6376151866720459
Energy: 1.3303425376468165
Energy: 1.6376151866720459
Energy: 1.0841255041897104
Energy: 1.7252744641284357
Energy: 1.732840797385569
Energy: 1.7252744641294955
Energy: 1.6315736187966676
Energy: 1.2355391689045854
Energy: 1.012185845410223
Energy: 1.2355391689045854
Energy: 1.817959034769764
Energy: 1.229613501434255
Energy: 0.8418542065391523
Energy: 1.229613501434255
Energy: 1.6738788983233297
Energy: 1.494942220327522
Energy: 1.481343895888347
Energy: 1.494942220327522
Energy: 1.686804725661181
Energy: 1.342098457583288
Energy: 1.012235546894464
Energy: 1.342098457583288
Energy: 1.897377700401008
Energy: 0.8463281516904271
Energy: 0.84706139515695
Energy: 0.8463281516914868

minimum gb energy = 0.8418542065381167 eV
minimum distance =  2.48974507954595 Angstroms
sigma value = 25


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

Energy: 1.5933163173202338
Energy: 1.3736581874017801
Energy: 1.6603784017452619
Energy: 0.8034533961328763
Energy: 1.7269450489626772
Energy: 1.074042704872848
Energy: 0.9944976804321204
Energy: 1.074042704872848
Energy: 1.5677891818140586
Energy: 1.0794888472720239
Energy: 0.9431673844739358
Energy: 1.0794888472711963
Energy: 1.1191096122344764
Energy: 1.6551614431236108
Energy: 1.6826970960362004
Energy: 1.6551614431236108
Energy: 1.7691165847129477
Energy: 1.4826074799042808
Energy: 1.4376089519515547
Energy: 1.482607479905108
Energy: 1.2197032878113572
Energy: 1.3896456485145912
Energy: 1.3965843258423811
Energy: 1.3896456485145912
Energy: 1.1233310513790382
Energy: 1.4312283731773117
Energy: 1.7970648008798897
Energy: 1.431228373176484
Energy: 1.560827404851824
Energy: 1.5482260784974184
Energy: 1.3582963988144603
Energy: 1.5482260784974184
Energy: 0.9922405073666488
Energy: 1.079414620708085
Energy: 1.7106740333661936
Energy: 1.079414620708085
Energy: 1.1148113710984462
Energy: 1.070325693180503
Energy: 1.901935441791273
Energy: 1.070325693180503
Energy: 0.8816047315246739
Energy: 0.8811965003876618
Energy: 1.3551638796606789
Energy: 0.8811965003884894
Energy: 0.8831190596886582
Energy: 0.7579776286216556
Energy: 1.902444563433416
Energy: 0.7579776286208282
Energy: 0.8886456200785328
Energy: 0.7593892261490093
Energy: 1.8700398292295808
Energy: 0.7593892261481816
Energy: 1.2006361968144108
Energy: 1.5081310515926316
Energy: 1.6359145479299737
Energy: 1.508131054860759
Energy: 0.94199206946205
Energy: 1.1030468549700954
Energy: 1.8798092637913195
Energy: 1.1030468549692678
Energy: 0.9959470552563676
Energy: 1.080593420694309
Energy: 1.5703978954716622
Energy: 1.080593420694309
Energy: 1.5645016553947981
Energy: 1.6277866430285246
Energy: 1.649692477318964
Energy: 1.6277866430285246
Energy: 0.9382634420507938
Energy: 1.5127907594497794
Energy: 1.766421748927904
Energy: 1.5127907594497794
Energy: 1.397637188131142
Energy: 1.3912700585430504
Energy: 1.124403165538786
Energy: 1.3912700585430504
Energy: 1.7988118340860837
Energy: 1.403759450697432
Energy: 1.2193490812749508
Energy: 1.403759450697432
Energy: 1.3558444643894005
Energy: 1.1566036289410697
Energy: 1.083635041974877
Energy: 1.156603628942725
Energy: 1.7091977905358111
Energy: 1.078948766712102
Energy: 0.759004263923204
Energy: 1.0789487667112745
Energy: 1.7995929799195978
Energy: 1.193806105894103
Energy: 1.1185522741681295
Energy: 1.193806105894103
Energy: 1.357291406407911
Energy: 0.8853682195706656
Energy: 0.8817059341138782
Energy: 0.8853682195706656
Energy: 1.9050332910939132
Energy: 0.75776630914485
Energy: 0.7580398932832019
Energy: 0.75776630914485
Energy: 1.6659703400273245
Energy: 0.8847583502315687
Energy: 0.9737596489121315
Energy: 0.8847583502307412

minimum gb energy = 0.75776630914485 eV
minimum distance =  2.48846735030081 Angstroms
sigma value = 41


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

Energy: 1.7604389917542762
Energy: 1.2997223824347661
Energy: 1.4833808987012334
Energy: 0.7273065877778895
Energy: 1.7683116831349106
Energy: 0.9555029856081925
Energy: 0.8837763566378125
Energy: 0.9555029856081925
Energy: 1.6315268875461182
Energy: 0.966389111217931
Energy: 0.838630433486404
Energy: 0.966389111217931
Energy: 1.3566737608683364
Energy: 1.3344526324562551
Energy: 1.4288781641446082
Energy: 1.334452632450828
Energy: 1.7875033784623129
Energy: 1.3235960537816829
Energy: 1.198808932774004
Energy: 1.3235960537823612
Energy: 1.3594436669243797
Energy: 1.2685229144756358
Energy: 1.217341040732365
Energy: 1.2685229144742787
Energy: 1.4154693446526583
Energy: 1.4513057956016204
Energy: 1.6645457943042814
Energy: 1.4513057956016204
Energy: 1.6467466360630194
Energy: 1.458635827014868
Energy: 1.1667254106396372
Energy: 1.458635827014868
Energy: 1.0286927200488967
Energy: 1.2677355398327574
Energy: 1.5044447250649733
Energy: 1.2677355398327574
Energy: 1.0718343507640338
Energy: 1.2520684109542903
Energy: 1.811032001130831
Energy: 1.2520684109542903
Energy: 1.053017703461709
Energy: 1.0565144760452667
Energy: 1.5580987680826845
Energy: 1.0565144760445881
Energy: 0.8336009958778741
Energy: 0.9668648919405612
Energy: 1.7431190913276517
Energy: 0.9668648919419182
Energy: 0.983887914149689
Energy: 1.0542203956935092
Energy: 1.835859744092335
Energy: 1.0542203956935092
Energy: 0.8574803175059943
Energy: 0.7917881919705201
Energy: 1.5913316384339924
Energy: 0.7917881919711985
Energy: 0.6895381743966553
Energy: 0.6880034837944006
Energy: 1.9183763890785175
Energy: 0.6880034837944006
Energy: 0.8698391417613484
Energy: 0.7899023902566528
Energy: 1.7173956220883246
Energy: 0.7899023902566528
Energy: 1.0643153610623328
Energy: 1.0572366578700763
Energy: 1.7962242577240972
Energy: 1.0572366578707546
Energy: 0.8323350270310514
Energy: 1.0158876716535492
Energy: 1.8599102708155026
Energy: 1.0158876716535492
Energy: 1.0248921925927756
Energy: 1.076555194421051
Energy: 1.3894022134892674
Energy: 1.076555194421051
Energy: 1.284621817057315
Energy: 1.3199827161639675
Energy: 1.4837390420373544
Energy: 1.3199827161639675
Energy: 1.1661156554809955
Energy: 1.3097384509651002
Energy: 1.6400970575686824
Energy: 1.3097384509657788
Energy: 1.2229488815243383
Energy: 1.3945413728060567
Energy: 1.4255585757244829
Energy: 1.3945413728046998
Energy: 1.5543290542169588
Energy: 1.2933841531264518
Energy: 1.3590463930872485
Energy: 1.2933841531264518
Energy: 1.1681122054389004
Energy: 1.3388264670899297
Energy: 1.2864433012955043
Energy: 1.3388264670899297
Energy: 1.7307706157999354
Energy: 1.2516007618243676
Energy: 0.9759583954809488
Energy: 1.2516007618243676
Energy: 1.5387902937983622
Energy: 1.2521654862508487
Energy: 1.4051263266327763
Energy: 1.2521654862508487
Energy: 1.6055458163065537
Energy: 0.9690753560365125
Energy: 1.0603651526462166
Energy: 0.969075356037191
Energy: 1.7561520136888502
Energy: 0.9767555354978653
Energy: 0.8309489592291147
Energy: 0.9767555373749651
Energy: 1.5983598125312515
Energy: 1.0531079518460826
Energy: 1.0633275083390752
Energy: 1.053107954212803
Energy: 1.5824986276069768
Energy: 0.7904105273851736
Energy: 0.7994681968928955
Energy: 0.7904105273865304
Energy: 1.8796919793598093
Energy: 0.6876185662825967
Energy: 0.6888514531773939
Energy: 0.6876185662819181
Energy: 1.8273567302075742
Energy: 0.7915361805853154
Energy: 0.9580819886500334
Energy: 0.7915361805948136

minimum gb energy = 0.6876185662819181 eV
minimum distance =  2.48026653260832 Angstroms
sigma value = 15


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

Energy: 1.5221254468133658
Energy: 1.6993302439006446
Energy: 0.8589255844339586
Energy: 1.567175553023974
Energy: 1.7923625631595375
Energy: 0.8657855365815179
Energy: 0.801659345213395
Energy: 0.8657855365826673
Energy: 1.6764116528077582
Energy: 1.0687165283498208
Energy: 0.8007522848430659
Energy: 1.0687165283509703
Energy: 1.5520436778325926
Energy: 1.1888603101439057
Energy: 1.2127873583878572
Energy: 1.188860310142181
Energy: 1.8054409872323438
Energy: 1.1884328340957095
Energy: 1.0351312760497666
Energy: 1.1884328340957095
Energy: 1.4517578318591722
Energy: 1.1443617602916287
Energy: 1.0850881813207565
Energy: 1.1443617602910543
Energy: 1.193314301089187
Energy: 1.3137073290870094
Energy: 1.4904201929400487
Energy: 1.313707329087584
Energy: 1.6801155280520834
Energy: 1.3110547293286625
Energy: 1.0310506318750763
Energy: 1.3110547293286625
Energy: 1.2463696943915679
Energy: 1.1775977156672806
Energy: 1.3299817647896421
Energy: 1.1775977156672806
Energy: 1.2067644805141626
Energy: 1.223960816014879
Energy: 1.6802002328904724
Energy: 1.223960816014879
Energy: 1.144926739679108
Energy: 1.2994656574020844
Energy: 1.3551271784481407
Energy: 1.299465657402659
Energy: 0.8755959497762161
Energy: 1.1433543042517142
Energy: 1.5728888039646083
Energy: 1.1433543042517142
Energy: 1.1461871175169356
Energy: 1.1244806465040156
Energy: 1.5709166748382417
Energy: 1.1244806465040156
Energy: 1.0008275245172726
Energy: 0.8539738885691625
Energy: 1.356731196287474
Energy: 0.8539738884071388
Energy: 0.7535753180089494
Energy: 0.8775373025413098
Energy: 1.7690769159145516
Energy: 0.8775373025413098
Energy: 0.947422529337479
Energy: 0.9468696900868248
Energy: 1.6044604372345392
Energy: 0.9468696900862499
Energy: 0.7906217496426152
Energy: 0.7189352260692962
Energy: 1.7313144888811218
Energy: 0.7189352260681466
Energy: 0.6318663484340368
Energy: 0.6318514548937276
Energy: 1.8874084577756307
Energy: 0.6318514548943025
Energy: 0.8701372006318879
Energy: 0.7183407926766758
Energy: 1.5463921717483213
Energy: 0.7183407926749517
Energy: 0.9492725887642488
Energy: 0.9502686166505032
Energy: 1.759666949690486
Energy: 0.9502686166539516
Energy: 0.7513518227451361
Energy: 0.8060802154679436
Energy: 1.8623117302224126
Energy: 0.8060802154673689
Energy: 1.058867095703617
Energy: 0.852295450353819
Energy: 1.5532400589263773
Energy: 0.852295450380257
Energy: 1.0871406062272646
Energy: 1.138113768986397
Energy: 1.4497950399556172
Energy: 1.1381137689846728
Energy: 1.03318551959097
Energy: 1.1810010594108702
Energy: 1.6686935829094116
Energy: 1.1810010594119675
Energy: 1.3598191185521888
Energy: 1.296933397360314
Energy: 1.1877917745355349
Energy: 1.296933397360314
Energy: 1.3305533092161783
Energy: 1.212835479323253
Energy: 1.6025963250025779
Energy: 1.212835479323253
Energy: 1.065577185280903
Energy: 1.2415271827189538
Energy: 1.393649353584471
Energy: 1.2415271827189538
Energy: 1.6645300517354606
Energy: 1.3261812416377259
Energy: 1.1883022844535358
Energy: 1.3261812416383005
Energy: 1.4051457920127495
Energy: 1.3081277053244944
Energy: 1.4678554721894537
Energy: 1.3081277053244944
Energy: 1.3556561573484849
Energy: 1.1963034620861845
Energy: 1.146104430614581
Energy: 1.1963034620861845
Energy: 1.8167208139387367
Energy: 1.2036574360701011
Energy: 0.8754842943112668
Energy: 1.2036574360689516
Energy: 1.3574723562914432
Energy: 1.191970965047016
Energy: 1.2110104881785961
Energy: 1.1919709650458663
Energy: 1.5718684791431248
Energy: 0.8772939993573434
Energy: 0.859259131792051
Energy: 0.8772939993590676
Energy: 1.917791643926596
Energy: 0.8640785993392811
Energy: 0.8004799978009186
Energy: 0.8640785993398558
Energy: 1.6967268471155543
Energy: 0.9504876990788306
Energy: 0.9420349491816326
Energy: 0.9504876990811294
Energy: 1.7932364827944418
Energy: 0.7172700635378755
Energy: 0.7195432337857262
Energy: 0.7172700635384502
Energy: 1.7221051174126378
Energy: 0.6330004146696008
Energy: 0.777062162632414
Energy: 0.6330004146724745

minimum gb energy = 0.6318514548937276 eV
minimum distance =  2.47760171372907 Angstroms
sigma value = 85


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

Energy: 1.7061994257914654
Energy: 1.111152245941865
Energy: 0.766920610928385
Energy: 1.1099515560363438
Energy: 1.8961759180179627
Energy: 0.8131865795513195
Energy: 0.7567610692645736
Energy: 0.8131865795508211
Energy: 1.7212707367646738
Energy: 0.8763384529793952
Energy: 0.8304026483397513
Energy: 0.8763384529793952
Energy: 1.409807122240285
Energy: 1.0096595874558894
Energy: 1.0731397878678692
Energy: 1.0096595874568863
Energy: 1.7703009031217394
Energy: 1.0369491387878655
Energy: 0.9214374000201706
Energy: 1.0369491387888625
Energy: 1.3987967871709173
Energy: 1.0495876394401404
Energy: 1.0168432736023387
Energy: 1.049587639440639
Energy: 1.4630769968445578
Energy: 1.1406465411152
Energy: 1.2862934940586805
Energy: 1.1406465411156985
Energy: 1.6872390342713806
Energy: 1.1723641184386397
Energy: 0.982397280083047
Energy: 1.172364118438141
Energy: 1.4026661506905957
Energy: 1.154386425866764
Energy: 1.186159054091951
Energy: 1.1543864258662653
Energy: 1.35746297526455
Energy: 1.1865928763043567
Energy: 1.498645613630167
Energy: 1.18659287630336
Energy: 1.3672107596937761
Energy: 1.194629744437507
Energy: 1.2640863959109103
Energy: 1.194629744438504
Energy: 1.1252802525935488
Energy: 1.1892910763697204
Energy: 1.4267113657439012
Energy: 1.1892910763707174
Energy: 1.2577432542276294
Energy: 1.0721069221354336
Energy: 1.4474928990867293
Energy: 1.0721069221354336
Energy: 1.027801177341006
Energy: 0.983828158990186
Energy: 1.265263407180662
Energy: 0.9838281589886907
Energy: 0.8467701486734263
Energy: 1.084214220671145
Energy: 1.678846400650924
Energy: 1.084214220671145
Energy: 1.0537608097021909
Energy: 1.0085249141068673
Energy: 1.5301984139233522
Energy: 1.0085249141068673
Energy: 0.8864162837432163
Energy: 0.7077092235214085
Energy: 1.5924339673002093
Energy: 0.7077092235214085
Energy: 0.6910478242680143
Energy: 0.7188270865407969
Energy: 1.8327217269230418
Energy: 0.7188270865398
Energy: 0.8353684444030852
Energy: 0.8165187809292279
Energy: 1.8278565900075323
Energy: 0.8165187809292279
Energy: 0.7693687574210961
Energy: 0.7958474254219355
Energy: 1.7634100799766985
Energy: 0.7958474254219355
Energy: 0.6231337305887956
Energy: 0.6830062970409385
Energy: 1.9346218375783288
Energy: 0.6830062970404401
Energy: 0.8537231020103304
Energy: 0.6775170491016969
Energy: 1.6585495304542712
Energy: 0.6775170491031923
Energy: 0.9327703053919617
Energy: 0.8745224225738069
Energy: 1.7309006089443546
Energy: 0.8745224225753022
Energy: 0.7305192966844452
Energy: 0.8983144680903506
Energy: 1.7546598401856468
Energy: 0.8983144680903506
Energy: 0.8790820085923785
Energy: 0.8977957360927821
Energy: 1.4082525173749056
Energy: 0.8977957362372933
Energy: 1.0657531218398504
Energy: 1.0328688217971147
Energy: 1.781561001617516
Energy: 1.0328688217971147
Energy: 1.0032834356388927
Energy: 1.0228212214687329
Energy: 1.566421257511643
Energy: 1.0228212214687329
Energy: 1.2812685537817263
Energy: 1.1175562976430673
Energy: 1.4099915605209596
Energy: 1.1175562976440643
Energy: 1.2022662603688157
Energy: 1.1732495807814838
Energy: 1.697179469209696
Energy: 1.1732495807819823
Energy: 1.2109806005781265
Energy: 1.0533937586537427
Energy: 1.3427769301974306
Energy: 1.0533937586547397
Energy: 1.5310430221889555
Energy: 1.1936684864657596
Energy: 1.1238167370679675
Energy: 1.1936684864667566
Energy: 1.2929788903013313
Energy: 1.193534992962769
Energy: 1.5426850365590248
Energy: 1.1935349929632677
Energy: 1.4243758381852392
Energy: 1.0974545661381019
Energy: 1.1392509210464459
Energy: 1.0974545661386004
Energy: 1.6971946887027565
Energy: 1.1854836535440854
Energy: 1.1749822604149713
Energy: 1.1854836535440854
Energy: 1.2628745463765059
Energy: 1.1369630507983282
Energy: 1.3397635053512635
Energy: 1.1369630507933433
Energy: 1.6588679540377504
Energy: 1.0417606998476987
Energy: 0.9374571928539599
Energy: 1.0417606998486957
Energy: 1.6842709642734115
Energy: 1.033881491388344
Energy: 1.0481016108022938
Energy: 1.0338814913878454
Energy: 1.5579427577837506
Energy: 0.7908069990596375
Energy: 0.8091238346653148
Energy: 0.7908069990606345
Energy: 1.8574638355360227
Energy: 0.7592751987366895
Energy: 0.6788371677925608
Energy: 0.7592751987371881
Energy: 1.7007588746325004
Energy: 0.8508633996274622
Energy: 0.8432648113450119
Energy: 0.8508633996269638
Energy: 1.5831420306498114
Energy: 0.6442027657937202
Energy: 0.7672846271228433
Energy: 0.6442027657977079
Energy: 1.8855196767438054
Energy: 0.5724342538214184
Energy: 0.5732185965602304
Energy: 0.5724342538199231
Energy: 1.68021313940102
Energy: 0.6472996519202053
Energy: 0.7671687950028847
Energy: 0.6472996519207038

minimum gb energy = 0.5724342538199231 eV
minimum distance =  2.48335039454693 Angstroms
sigma value = 113


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

Energy: 0.014742925725987212
Energy: 0.705478049918031
Energy: 1.4529504090111716
Energy: 0.01547781181390536
Energy: 0.8439200535638952
Energy: 0.10769508668982115
Energy: 0.8450882856102933
Energy: 0.10769508669020435
Energy: 0.015328294299148315
Energy: 0.10651053763721395
Energy: 0.8438411014454954
Energy: 0.10651053763759714
Energy: 0.016570177984665528
Energy: 0.10886881457378518
Energy: 0.8449943899994002
Energy: 0.10886881457342328
Energy: 0.8458062687546081
Energy: 0.7343631179846267
Energy: 1.1254110866753284
Energy: 0.7343631179853718
Energy: 0.015154385523118187
Energy: 0.1060991094841128
Energy: 0.8433613746180624
Energy: 0.10609910948375088

minimum gb energy = 0.014742925725987212 eV
minimum distance =  2.71787436515079 Angstroms
sigma value = 1