Model name: model_name=MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657325506211
cohesive_energy=4.290337405585513
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013214710011154963
Energy: 0.013781140767607239
Energy: 0.5576783557117716
Energy: 0.013781140767607239
Energy: 0.013214710011154963
Energy: 0.013781140767607239
Energy: 0.013781140768079235
Energy: 3.2026290551783223
Energy: 0.013781140767607239
Energy: 3.202629055178795
Energy: 0.013781140768079235
Energy: 3.2026290551783223
Energy: 0.5576783557117716
Energy: 0.013781140767607239
Energy: 0.013214710011154963
Energy: 0.013781140767607239
Energy: 0.5576783557117716
Energy: 0.013781140767607239
Energy: 0.013781140767607239
Energy: 3.2026290551783223
Energy: 0.013781140767607239
Energy: 2.92562077770139
Energy: 0.013781140767607239
Energy: 3.2026290551783223
Energy: 0.013214710011154963
Energy: 0.013781140767607239
Energy: 0.5576783557117716
Energy: 0.013781140767607239
Energy: 0.013214710011154963
Energy: 0.013781140767607239
Energy: 0.013781140767607239
Energy: 3.2026290551783223
Energy: 0.013781140767607239
Energy: 3.202629055178795
Energy: 0.013781140767607239
Energy: 2.5539245253858245

minimum gb energy = 0.013214710011154963 eV
minimum distance =  2.40177646969725 Angstroms
sigma value = 1


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

Energy: 1.2990869567784857
Energy: 1.2741608492251797
Energy: 1.2719737612047528
Energy: 1.274160849226383
Energy: 1.2990869567784857
Energy: 1.274160849226383
Energy: 1.2696143609417208
Energy: 1.2529564640789852
Energy: 1.20481191116201
Energy: 1.2529564640789852
Energy: 1.2696143609417208
Energy: 1.2529564640789852
Energy: 1.2140239243465887
Energy: 1.2527286078095583
Energy: 1.291063201116965
Energy: 1.2527286078095583
Energy: 1.2140239243465887
Energy: 1.2527286078095583
Energy: 1.3613782486372608
Energy: 1.2332667263120887
Energy: 1.2121120431374872
Energy: 1.2332667263120887
Energy: 1.3613782486372608
Energy: 1.2332667263120887
Energy: 1.3230205915260242
Energy: 1.2748192183253089
Energy: 1.293546381155557
Energy: 1.2748192183253089
Energy: 1.3230205915248212
Energy: 1.2748192183253089
Energy: 1.2909150725019847
Energy: 1.2521983173598583
Energy: 1.2211695205933177
Energy: 1.2521983173598583
Energy: 1.290915072503188
Energy: 1.2521983173598583
Energy: 1.291987487595613
Energy: 1.2523976576489297
Energy: 1.2191384920994544
Energy: 1.2523976576489297
Energy: 1.291987487595613
Energy: 1.2523976576489297
Energy: 1.348877010752153
Energy: 1.2747391222832618
Energy: 1.2019081099936912
Energy: 1.2747391222832618
Energy: 1.348877010752153
Energy: 1.2747391222832618
Energy: 1.3578764945943136
Energy: 1.2335171953903712
Energy: 1.210678564483271
Energy: 1.2335171953903712
Energy: 1.3578764945955162
Energy: 1.2335171953903712
Energy: 1.2936701486385818
Energy: 1.2526565864626158
Energy: 1.2221013945088872
Energy: 1.2526565864638186
Energy: 1.2936701486385818
Energy: 1.2526565864638186
Energy: 1.2187208733438513
Energy: 1.2429881809245977
Energy: 1.2769818274206894
Energy: 1.2429881809245977
Energy: 1.2187208733426482
Energy: 1.2429881809245977
Energy: 1.20383147158172
Energy: 1.2744706322713144
Energy: 1.2043962170800653
Energy: 1.2744706322713144
Energy: 1.20383147158172
Energy: 1.2744706322713144
Energy: 1.2770639608433214
Energy: 1.2429881809233945
Energy: 1.2556115502395446
Energy: 1.2429881809233945
Energy: 1.2770639608421184
Energy: 1.2429881809233945
Energy: 1.2221011491476343
Energy: 1.2526600540584296
Energy: 1.2936462789694596
Energy: 1.2526600540584296
Energy: 1.2221011491464313
Energy: 1.2526600540584296
Energy: 1.2106017841928087
Energy: 1.2332638705652323
Energy: 1.3579007887152634
Energy: 1.2332638705652323
Energy: 1.2106017841928087
Energy: 1.2332638705652323
Energy: 1.2019012067006791
Energy: 1.2746020977682477
Energy: 1.3483127925945118
Energy: 1.2746020977682477
Energy: 1.2019012067006791
Energy: 1.2746020977682477
Energy: 1.2191567503295626
Energy: 1.2525999407422364
Energy: 1.2918762285044476
Energy: 1.2525999407422364
Energy: 1.2191567503295626
Energy: 1.2525999407422364
Energy: 1.2211515683640233
Energy: 1.2521954906593957
Energy: 1.2908761376790443
Energy: 1.2521954906593957
Energy: 1.2211515683640233
Energy: 1.2521954906593957
Energy: 1.3287022681338119
Energy: 1.2748613650116607
Energy: 1.3236397338121948
Energy: 1.2748613650104574
Energy: 1.3287022681338119
Energy: 1.2748613650116607
Energy: 1.2121246039882836
Energy: 1.2332747244075246
Energy: 1.3613749447887722
Energy: 1.2332747244075246
Energy: 1.2121246039870803
Energy: 1.2332747244075246
Energy: 1.2911347639129316
Energy: 1.2527213454262678
Energy: 1.2140351765054285
Energy: 1.2527213454262678
Energy: 1.2911347639117285
Energy: 1.2527213454262678
Energy: 1.2061954988055934
Energy: 1.252972099556315
Energy: 1.2697102836772114
Energy: 1.252972099556315
Energy: 1.2061954988067967
Energy: 1.252972099556315
Energy: 1.2980186319210036
Energy: 1.274160849226383
Energy: 1.2990869567784857
Energy: 1.2741608492251797
Energy: 1.2980186319210036
Energy: 1.274160849226383

minimum gb energy = 1.2019012067006791 eV
minimum distance =  2.28940091250227 Angstroms
sigma value = 33


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

Energy: 1.778723216456739
Energy: 1.3447376084287062
Energy: 1.3140066167977564
Energy: 1.3447376084287062
Energy: 1.778723216456739
Energy: 1.3447376084287062
Energy: 1.2803233857727747
Energy: 1.3123923923985832
Energy: 1.2947071453121026
Energy: 1.3123923923985832
Energy: 1.2803233857734586
Energy: 1.3123923923985832
Energy: 1.2552018054985024
Energy: 1.3423425261916073
Energy: 1.4200745711293579
Energy: 1.3423425261916073
Energy: 1.2552018054985024
Energy: 1.3423425261922914
Energy: 1.2952260439101506
Energy: 1.3001517012688992
Energy: 1.4479337725991623
Energy: 1.3001517012688992
Energy: 1.2952260439101506
Energy: 1.3001517012695836
Energy: 1.2954725662404034
Energy: 1.3206983853726861
Energy: 1.4323689759426268
Energy: 1.320698385372002
Energy: 1.2954725662397195
Energy: 1.320698385372002
Energy: 1.287797937716366
Energy: 1.3218309130048056
Energy: 1.270787497989939
Energy: 1.3218309130048056
Energy: 1.2877979377156816
Energy: 1.3218309130048056
Energy: 1.2881934481863728
Energy: 1.321716408012748
Energy: 1.3492890831884476
Energy: 1.321716408012748
Energy: 1.288193448187057
Energy: 1.321716408012748
Energy: 1.2711240286931742
Energy: 1.3210042483604953
Energy: 1.2870967995543048
Energy: 1.3210042483604953
Energy: 1.2711240286931742
Energy: 1.3210042483604953
Energy: 1.2947729066550724
Energy: 1.3001148167089633
Energy: 1.288100245878599
Energy: 1.3001148167096477
Energy: 1.294772906656441
Energy: 1.3001148167096477
Energy: 1.2874935905114433
Energy: 1.342364830520135
Energy: 1.29417798818057
Energy: 1.342364830520135
Energy: 1.2874935905114433
Energy: 1.342364830520135
Energy: 1.2799474965857203
Energy: 1.3147772268930922
Energy: 1.294907695418759
Energy: 1.3147772268930922
Energy: 1.2799474965857203
Energy: 1.3147772268930922
Energy: 1.416505182072675
Energy: 1.32134850033619
Energy: 1.3144092254749011
Energy: 1.32134850033619
Energy: 1.416505182072675
Energy: 1.32134850033619
Energy: 1.4623242749824916
Energy: 1.3102422359308346
Energy: 1.3077209694617007
Energy: 1.3102422359308346
Energy: 1.4623242749824916
Energy: 1.3102422359308346
Energy: 1.3488487690480038
Energy: 1.3418991784070018
Energy: 1.2937344161347606
Energy: 1.3418991784070018
Energy: 1.3488487690473197
Energy: 1.3418991784070018
Energy: 1.416770576638584
Energy: 1.3206558934221435
Energy: 1.391315972103403
Energy: 1.3206558934221435
Energy: 1.416770576638584
Energy: 1.3206558934221435
Energy: 1.4168329866323923
Energy: 1.3206231096054581
Energy: 1.3144992819268582
Energy: 1.3206231096054581
Energy: 1.4168329866323923
Energy: 1.3206231096054581
Energy: 1.4321795830203994
Energy: 1.321660028995302
Energy: 1.2941877339624246
Energy: 1.321660028995302
Energy: 1.4321795830210837
Energy: 1.321660028995302
Energy: 1.4671743207504786
Energy: 1.31171143193991
Energy: 1.3911215485919908
Energy: 1.31171143193991
Energy: 1.4671743207497943
Energy: 1.31171143193991
Energy: 1.2705515726661334
Energy: 1.3211102759676316
Energy: 1.2871513436976296
Energy: 1.3211102759669477
Energy: 1.2705515726661334
Energy: 1.3211102759669477
Energy: 1.2943692868238672
Energy: 1.300021644430678
Energy: 1.2887424245488779
Energy: 1.300021644430678
Energy: 1.2943692868231829
Energy: 1.300021644430678
Energy: 1.4167648450979657
Energy: 1.3424056583644122
Energy: 1.285121412986467
Energy: 1.3424056583637276
Energy: 1.4167648450972816
Energy: 1.3424056583637276
Energy: 1.2792040294822848
Energy: 1.3154826346436317
Energy: 1.2946369463259562
Energy: 1.3154826346436317
Energy: 1.2792040294829694
Energy: 1.3154826346436317
Energy: 1.2939496604834448
Energy: 1.3214885274278463
Energy: 1.433847347763348
Energy: 1.3214885274278463
Energy: 1.2939496604827605
Energy: 1.3214885274278463
Energy: 1.4561450874151072
Energy: 1.3118753540922772
Energy: 1.2942740028175104
Energy: 1.3118753540915928
Energy: 1.4561450874157913
Energy: 1.3118753540915928
Energy: 1.3155188527902313
Energy: 1.3232221472825814
Energy: 1.4177940088217869
Energy: 1.3232221472825814
Energy: 1.3155188527902313
Energy: 1.3232221472825814
Energy: 1.2945844141460847
Energy: 1.3423525325466583
Energy: 1.2997537276466826
Energy: 1.3423525325466583
Energy: 1.2945844141454004
Energy: 1.3423525325466583
Energy: 1.2945742226411034
Energy: 1.342341810210547
Energy: 1.2997537276459983
Energy: 1.342341810209863
Energy: 1.2945742226417873
Energy: 1.342341810209863
Energy: 1.3155303645362564
Energy: 1.3232042348566915
Energy: 1.418234838231944
Energy: 1.3232042348566915
Energy: 1.3155303645362564
Energy: 1.3232042348566915
Energy: 1.4561549126520668
Energy: 1.3118769766909824
Energy: 1.2941687600213898
Energy: 1.311876976690298
Energy: 1.4561549126507294
Energy: 1.311876976690298
Energy: 1.2941513043412032
Energy: 1.3214854388336543
Energy: 1.3949748576333032
Energy: 1.3214854388336543
Energy: 1.2941513043412032
Energy: 1.3214854388336543
Energy: 1.2808019104502635
Energy: 1.3154826346450004
Energy: 1.2946250929272738
Energy: 1.3154826346450004
Energy: 1.2808019104509476
Energy: 1.3154826346443163
Energy: 1.4167671691212658
Energy: 1.3424127500379253
Energy: 1.2850893962131298
Energy: 1.3424127500379253
Energy: 1.4167671691212658
Energy: 1.3424127500379253
Energy: 1.2943678511882393
Energy: 1.3002373868900212
Energy: 1.289075349745222
Energy: 1.3002373868900212
Energy: 1.294367851190292
Energy: 1.3002373868900212
Energy: 1.2705622421746752
Energy: 1.3211084530735437
Energy: 1.287157827990341
Energy: 1.3211084530728907
Energy: 1.2705622421746752
Energy: 1.3211084530728907
Energy: 1.467128026538487
Energy: 1.3117062516211428
Energy: 1.4671569716455024
Energy: 1.3117062516211428
Energy: 1.467128026538487
Energy: 1.3117062516204587
Energy: 1.431453850631536
Energy: 1.321478833235622
Energy: 1.294091626023142
Energy: 1.321478833235622
Energy: 1.431453850631536
Energy: 1.321478833235622
Energy: 1.4165187765404283
Energy: 1.3205398494359852
Energy: 1.3144128198348062
Energy: 1.3205398494359852
Energy: 1.4165187765404283
Energy: 1.3205398494359852
Energy: 1.4169053822404414
Energy: 1.3206851897378507
Energy: 1.3915457815931873
Energy: 1.3206851897385352
Energy: 1.4169053822404414
Energy: 1.3206851897385352
Energy: 1.3488113077605455
Energy: 1.3418664664686517
Energy: 1.293528395773457
Energy: 1.3418664664686517
Energy: 1.3488113077605455
Energy: 1.3418664664686517
Energy: 1.4623346145680667
Energy: 1.3102465919945163
Energy: 1.3080110492334336
Energy: 1.3102465919945163
Energy: 1.4623346145680667
Energy: 1.3102465919945163
Energy: 1.4164916550232
Energy: 1.3211329288163884
Energy: 1.3144152494339332
Energy: 1.3211329288163884
Energy: 1.4164916550232
Energy: 1.3211329288163884

minimum gb energy = 1.2552018054985024 eV
minimum distance =  2.25972322174565 Angstroms
sigma value = 51


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

Energy: 1.526846844716421
Energy: 1.3612368133112698
Energy: 1.4000929552639982
Energy: 1.3612368133112698
Energy: 1.526846844716421
Energy: 1.3612368133112698
Energy: 1.2673113996563232
Energy: 1.3596423175605898
Energy: 1.5952098130713732
Energy: 1.3596423175605898
Energy: 1.267311399654738
Energy: 1.3596423175605898
Energy: 1.2665298523730428
Energy: 1.3613213463771041
Energy: 1.5944298092301292
Energy: 1.3613213463786897
Energy: 1.2665298523730428
Energy: 1.3613213463786897
Energy: 1.2802139098705498
Energy: 1.312981645697658
Energy: 1.596439389536671
Energy: 1.312981645697658
Energy: 1.2802139098705498
Energy: 1.312981645697658
Energy: 1.2668612604857072
Energy: 1.3170489294219145
Energy: 1.5943481299656996
Energy: 1.3170489294235002
Energy: 1.2668612604857072
Energy: 1.3170489294235002
Energy: 1.526720569085689
Energy: 1.3129552414836956
Energy: 1.6450976265324684
Energy: 1.3129552414852808
Energy: 1.5267205690841035
Energy: 1.3129552414852808
Energy: 1.5272482362831028
Energy: 1.315789583109614
Energy: 1.594204888061591
Energy: 1.315789583109614
Energy: 1.5272482362831028
Energy: 1.315789583109614
Energy: 1.2807734946020504
Energy: 1.313122711426573
Energy: 1.2486251423145676
Energy: 1.3131227114249875
Energy: 1.2807734946020504
Energy: 1.313122711426573
Energy: 1.5274617193881896
Energy: 1.3400793360085115
Energy: 1.25140911760856
Energy: 1.3400793360085115
Energy: 1.5274617193881896
Energy: 1.3400793360085115
Energy: 1.266596876633539
Energy: 1.362580923385461
Energy: 1.2485413060117938
Energy: 1.362580923385461
Energy: 1.266596876633539
Energy: 1.362580923385461
Energy: 1.598931184133372
Energy: 1.3143413786574714
Energy: 1.5947772812824463
Energy: 1.3143413786574714
Energy: 1.598931184133372
Energy: 1.314341378659057
Energy: 1.5264729700031174
Energy: 1.3622041398213407
Energy: 1.6398623335069793
Energy: 1.3622041398229263
Energy: 1.5264729700031174
Energy: 1.3622041398229263
Energy: 1.4089825832359064
Energy: 1.313072239791205
Energy: 1.5948310533054855
Energy: 1.3130722397927903
Energy: 1.4089825832359064
Energy: 1.3130722397927903
Energy: 1.2662243465582985
Energy: 1.3620916060944035
Energy: 1.5948284893649363
Energy: 1.3620916060959887
Energy: 1.2662243465567133
Energy: 1.3620916060959887
Energy: 1.2662902229118604
Energy: 1.3667345489979865
Energy: 1.5959711869643267
Energy: 1.3667345489979865
Energy: 1.2662902229118604
Energy: 1.3667345489979865
Energy: 1.2672130716974446
Energy: 1.31676340923252
Energy: 1.594549506087484
Energy: 1.31676340923252
Energy: 1.2672130716974446
Energy: 1.31676340923252
Energy: 1.5270784123330141
Energy: 1.3670422254336017
Energy: 1.638194953843699
Energy: 1.3670422254336017
Energy: 1.527078412331429
Energy: 1.3670422254336017
Energy: 1.5266156949221954
Energy: 1.3187463575147327
Energy: 1.59431601856088
Energy: 1.3187463575147327
Energy: 1.5266156949221954
Energy: 1.3187463575131473

minimum gb energy = 1.2485413060117938 eV
minimum distance =  2.25343585775678 Angstroms
sigma value = 19


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

Energy: 1.6530436302644917
Energy: 1.421570851542172
Energy: 1.4218798595250712
Energy: 1.421570851542172
Energy: 1.6530436302644917
Energy: 1.421570851542172
Energy: 1.317112938170605
Energy: 1.404937770468057
Energy: 1.3404969018744484
Energy: 1.404937770468057
Energy: 1.317112938170605
Energy: 1.404937770468057
Energy: 1.283979258880316
Energy: 1.415489769925159
Energy: 1.4426573522403225
Energy: 1.415489769925159
Energy: 1.283979258880316
Energy: 1.415489769925159
Energy: 1.3163280752349757
Energy: 1.3892045797997323
Energy: 1.3402214736261824
Energy: 1.3892045797997323
Energy: 1.3163280752349757
Energy: 1.3892045797997323
Energy: 1.3165261925700977
Energy: 1.4217961818769245
Energy: 1.340200705856745
Energy: 1.4217961818778646
Energy: 1.3165261925700977
Energy: 1.4217961818778646
Energy: 1.3401048841115295
Energy: 1.4217826538068647
Energy: 1.3168203808968173
Energy: 1.4217826538068647
Energy: 1.3401048841115295
Energy: 1.4217826538068647
Energy: 1.3404608242219425
Energy: 1.389205474409821
Energy: 1.3163654368310087
Energy: 1.3892054744088806
Energy: 1.3404608242219425
Energy: 1.3892054744088806
Energy: 1.4427246945414354
Energy: 1.4154918412681416
Energy: 1.283967359048116
Energy: 1.4154918412681416
Energy: 1.4427246945414354
Energy: 1.4154918412681416
Energy: 1.3403957948303908
Energy: 1.4048274492109298
Energy: 1.2840338889852656
Energy: 1.4048274492109298
Energy: 1.3403957948294503
Energy: 1.4048274492109298
Energy: 1.4218798595250712
Energy: 1.421570851542172
Energy: 1.653043630265432
Energy: 1.421570851542172
Energy: 1.4218798595250712
Energy: 1.421570851542172
Energy: 1.3404969018735078
Energy: 1.404937770468057
Energy: 1.301356170650931
Energy: 1.404937770468057
Energy: 1.3404969018735078
Energy: 1.404937770468057
Energy: 1.4426573522403225
Energy: 1.415489769925159
Energy: 1.283979258880316
Energy: 1.415489769925159
Energy: 1.4426573522403225
Energy: 1.415489769925159
Energy: 1.340221473625242
Energy: 1.3892045797987917
Energy: 1.3163280752349757
Energy: 1.3892045797987917
Energy: 1.340221473625242
Energy: 1.3892045797987917
Energy: 1.3402007058576855
Energy: 1.4217961818769245
Energy: 1.3165261925700977
Energy: 1.4217961818778646
Energy: 1.340200705856745
Energy: 1.4217961818778646
Energy: 1.3168203808968173
Energy: 1.4217826538068647
Energy: 1.3401048841115295
Energy: 1.4217826538068647
Energy: 1.3168203808968173
Energy: 1.4217826538068647
Energy: 1.3492886031186357
Energy: 1.3892054744088806
Energy: 1.3404608242219425
Energy: 1.3892054744088806
Energy: 1.349288603119576
Energy: 1.3892054744088806
Energy: 1.283967359048116
Energy: 1.4154918412681416
Energy: 1.4427246945414354
Energy: 1.4154918412681416
Energy: 1.283967359048116
Energy: 1.4154918412681416
Energy: 1.2840338889862062
Energy: 1.4048274492109298
Energy: 1.3403957948303908
Energy: 1.4048274492109298
Energy: 1.2840338889852656
Energy: 1.4048274492109298
Energy: 1.6530436302644917
Energy: 1.421570851542172
Energy: 1.4079362111928442
Energy: 1.421570851542172
Energy: 1.6530436302644917
Energy: 1.421570851542172
Energy: 1.301356170650931
Energy: 1.404937770468057
Energy: 1.3404969018735078
Energy: 1.404937770468057
Energy: 1.301356170650931
Energy: 1.404937770468057
Energy: 1.283979258880316
Energy: 1.415489769925159
Energy: 1.4426573522403225
Energy: 1.415489769925159
Energy: 1.283979258880316
Energy: 1.415489769925159
Energy: 1.3163280752349757
Energy: 1.3892045797997323
Energy: 1.3402214736261824
Energy: 1.3892045797987917
Energy: 1.3163280752349757
Energy: 1.3892045797987917
Energy: 1.3165261925700977
Energy: 1.4217961818778646
Energy: 1.340200705856745
Energy: 1.4217961818769245
Energy: 1.3165261925700977
Energy: 1.4217961818769245
Energy: 1.3401048841115295
Energy: 1.421782653807805
Energy: 1.3168203808968173
Energy: 1.4217826538068647
Energy: 1.3401048841115295
Energy: 1.4217826538068647
Energy: 1.3404608242228828
Energy: 1.3892054744088806
Energy: 1.3792723905574402
Energy: 1.3892054744088806
Energy: 1.3404608242219425
Energy: 1.389205474409821
Energy: 1.4427246945414354
Energy: 1.4154918412681416
Energy: 1.283967359048116
Energy: 1.4154918412672013
Energy: 1.4427246945414354
Energy: 1.4154918412681416
Energy: 1.3403957948303908
Energy: 1.4048274492099893
Energy: 1.2840338889852656
Energy: 1.4048274492109298
Energy: 1.3403957948303908
Energy: 1.4048274492109298
Energy: 1.3887490977886183
Energy: 1.421570851542172
Energy: 1.653043630265432
Energy: 1.421570851542172
Energy: 1.3887490977886183
Energy: 1.421570851542172
Energy: 1.3404969018744484
Energy: 1.404937770468057
Energy: 1.301356170650931
Energy: 1.404937770468057
Energy: 1.3404969018735078
Energy: 1.404937770468057
Energy: 1.4426573522403225
Energy: 1.415489769925159
Energy: 1.283979258880316
Energy: 1.415489769925159
Energy: 1.4426573522403225
Energy: 1.415489769925159

minimum gb energy = 1.283967359048116 eV
minimum distance =  2.2475862384916 Angstroms
sigma value = 27


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

Energy: 1.1923055037341301
Energy: 1.3333858246329573
Energy: 1.4838737554188224
Energy: 1.3333858246327217
Energy: 1.1923055037341301
Energy: 1.3333858246329573
Energy: 1.1828068218819832
Energy: 1.3078656695798956
Energy: 1.2121089991263025
Energy: 1.3078656695798956
Energy: 1.1828068218817738
Energy: 1.3078656695798956
Energy: 1.212965344003601
Energy: 1.4956345416983208
Energy: 1.2137620903367803
Energy: 1.4956345416985564
Energy: 1.212965344003601
Energy: 1.495634541698792
Energy: 1.1887216705300365
Energy: 1.3350624015024353
Energy: 1.212453666968064
Energy: 1.3350624015024353
Energy: 1.1887216705300365
Energy: 1.3350624015024353
Energy: 1.2402032603648454
Energy: 1.3340130616572652
Energy: 1.2135207086891322
Energy: 1.3340130616570296
Energy: 1.2402032603648454
Energy: 1.3340130616570296
Energy: 1.2122704013498473
Energy: 1.4976117819266752
Energy: 1.2124421589032488
Energy: 1.4976117819269108
Energy: 1.2122704013496117
Energy: 1.4976117819269108
Energy: 1.2130821635807134
Energy: 1.3105369454812146
Energy: 1.2129859308244626
Energy: 1.3105369454812146
Energy: 1.2130821635807134
Energy: 1.3105369454812146
Energy: 1.188696649720347
Energy: 1.3341870580517003
Energy: 1.212627042933908
Energy: 1.3341870580514648
Energy: 1.1886966497205826
Energy: 1.3341870580517003
Energy: 1.2127557850158817
Energy: 1.334532395149883
Energy: 1.2134584994524689
Energy: 1.334532395149883
Energy: 1.2127557850161175
Energy: 1.334532395149883
Energy: 1.2125849128979422
Energy: 1.4960062326823924
Energy: 1.212569430068363
Energy: 1.4960062326823924
Energy: 1.212584912898178
Energy: 1.4960062326826282
Energy: 1.213462029815928
Energy: 1.3345028885983792
Energy: 1.2128554351418603
Energy: 1.3345028885983792
Energy: 1.2134620298156922
Energy: 1.3345028885983792
Energy: 1.2127353310099835
Energy: 1.3341833679360957
Energy: 1.188737442966623
Energy: 1.3341833679356505
Energy: 1.2127353310099835
Energy: 1.3341833679358601

minimum gb energy = 1.1828068218817738 eV
minimum distance =  2.26538981771743 Angstroms
sigma value = 9


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

Energy: 1.661427418338822
Energy: 1.50731209197598
Energy: 1.37777714369829
Energy: 1.507312091976627
Energy: 1.661427418338822
Energy: 1.50731209197598
Energy: 1.3643685847614229
Energy: 1.4504199794246464
Energy: 1.3250786900682283
Energy: 1.4504199794246464
Energy: 1.3643685847607756
Energy: 1.4504199794246464
Energy: 1.3261871842186952
Energy: 1.4896656757176618
Energy: 1.3252146073769397
Energy: 1.4896656757176618
Energy: 1.326187184218048
Energy: 1.4896656757176618
Energy: 1.286372660106059
Energy: 1.462082458110715
Energy: 1.251818825168116
Energy: 1.462082458110715
Energy: 1.286372660106059
Energy: 1.4620824581100678
Energy: 1.2850334757868365
Energy: 1.4608483114940778
Energy: 1.2524598007053005
Energy: 1.4608483114947253
Energy: 1.2850334757868365
Energy: 1.4608483114940778
Energy: 1.262666610820283
Energy: 1.4079249431088963
Energy: 1.3255763278852717
Energy: 1.4079249431088963
Energy: 1.262666610820283
Energy: 1.4079249431088963
Energy: 1.416090936209465
Energy: 1.4750320877959746
Energy: 1.3231592476324827
Energy: 1.4750320877959746
Energy: 1.416090936209465
Energy: 1.4750320877959746
Energy: 1.4741119579913633
Energy: 1.4619860474572346
Energy: 1.342513269964426
Energy: 1.4619860474578819
Energy: 1.4741119579913633
Energy: 1.4619860474578819
Energy: 1.3233403298791673
Energy: 1.417847886881463
Energy: 1.3251317222526675
Energy: 1.4178478868821098
Energy: 1.3233403298804618
Energy: 1.4178478868821098
Energy: 1.4695586054246554
Energy: 1.4906469329485734
Energy: 1.2842839204009482
Energy: 1.4906469329485734
Energy: 1.4695586054246554
Energy: 1.4906469329485734
Energy: 1.3272384613468529
Energy: 1.4549070843846315
Energy: 1.3251200468924436
Energy: 1.4549070843852785
Energy: 1.3272384613455586
Energy: 1.4549070843846315
Energy: 1.3397233164024864
Energy: 1.4620093889398174
Energy: 1.3347410497585386
Energy: 1.4620093889398174
Energy: 1.3397233164018392
Energy: 1.4620093889398174
Energy: 1.2615962150400153
Energy: 1.4095024473583624
Energy: 1.257127968114519
Energy: 1.4095024473583624
Energy: 1.2615962150400153
Energy: 1.4095024473577151
Energy: 1.4155080182085444
Energy: 1.491126475127725
Energy: 1.255904562895496
Energy: 1.491126475128372
Energy: 1.4155080182091917
Energy: 1.491126475128372
Energy: 1.342102319079893
Energy: 1.4644911606436728
Energy: 1.3262718768488722
Energy: 1.4644911606436728
Energy: 1.342102319079246
Energy: 1.4644911606436728
Energy: 1.3525611922040508
Energy: 1.447213791549023
Energy: 1.3344319887412144
Energy: 1.447213791549023
Energy: 1.352561192204698
Energy: 1.447213791549023
Energy: 1.3335457704858809
Energy: 1.4931943658781313
Energy: 1.2852833105142352
Energy: 1.4931943658781313
Energy: 1.3335457704852334
Energy: 1.4931943658781313
Energy: 1.2531936101567782
Energy: 1.407767149686374
Energy: 1.3376653021089995
Energy: 1.4077671496857267
Energy: 1.2531936101574257
Energy: 1.4077671496857267
Energy: 1.3254604223603574
Energy: 1.494715464111943
Energy: 1.2615216408494283
Energy: 1.494715464111943
Energy: 1.3254604223603574
Energy: 1.494715464111943
Energy: 1.2616581526400328
Energy: 1.5445383702949398
Energy: 1.2613756755950407
Energy: 1.544006518599859
Energy: 1.2616581526400328
Energy: 1.5445383702942925
Energy: 1.261445942865134
Energy: 1.4947486085707002
Energy: 1.3250047249183803
Energy: 1.4947486085707002
Energy: 1.261445942865134
Energy: 1.4947486085707002
Energy: 1.3389592522361213
Energy: 1.4077853905559503
Energy: 1.2527331673759368
Energy: 1.4077853905565976
Energy: 1.3389592522361213
Energy: 1.4077853905559503
Energy: 1.2849432338925526
Energy: 1.493011664273494
Energy: 1.333383449738641
Energy: 1.493011664273494
Energy: 1.2849432338925526
Energy: 1.493011664273494
Energy: 1.3342719971400583
Energy: 1.4472855915095657
Energy: 1.3525334997713967
Energy: 1.4472855915095657
Energy: 1.334271997139411
Energy: 1.4472855915095657
Energy: 1.3262437602935027
Energy: 1.4640957367225487
Energy: 1.3420788368038024
Energy: 1.4640957367225487
Energy: 1.3262437602935027
Energy: 1.4640957367219014
Energy: 1.2557883857337169
Energy: 1.4911117477726805
Energy: 1.4154805049478147
Energy: 1.4911117477733278
Energy: 1.2557883857337169
Energy: 1.4911117477733278
Energy: 1.2572911967438454
Energy: 1.409527647036075
Energy: 1.2616231073041784
Energy: 1.409527647036722
Energy: 1.2572911967431983
Energy: 1.409527647036075
Energy: 1.3347474120947276
Energy: 1.4619656860083563
Energy: 1.3398598576377858
Energy: 1.4619656860083563
Energy: 1.3347474120953748
Energy: 1.4619656860083563
Energy: 1.3251557457412961
Energy: 1.4549770760345748
Energy: 1.3271207214178717
Energy: 1.4549770760345748
Energy: 1.3251557457412961
Energy: 1.4549770760345748
Energy: 1.2842738335767165
Energy: 1.490648753635352
Energy: 1.4695777314741476
Energy: 1.490648753635352
Energy: 1.2842738335773638
Energy: 1.490648753635352
Energy: 1.3251278231141939
Energy: 1.4178478868821098
Energy: 1.323600468330399
Energy: 1.4178478868821098
Energy: 1.3251278231141939
Energy: 1.417847886881463
Energy: 1.3425654040648876
Energy: 1.4619812620351558
Energy: 1.4741033992240855
Energy: 1.4619812620345087
Energy: 1.3425654040648876
Energy: 1.4619812620351558
Energy: 1.3233532909340107
Energy: 1.4750320680995517
Energy: 1.4907118542983293
Energy: 1.4750320680995517
Energy: 1.3233532909333634
Energy: 1.4750320680995517
Energy: 1.325327793138527
Energy: 1.407977089861791
Energy: 1.2626675354842756
Energy: 1.407977089861791
Energy: 1.3253277931378797
Energy: 1.407977089861791
Energy: 1.2531471058259174
Energy: 1.4608130643222563
Energy: 1.2850298543904854
Energy: 1.4608130643222563
Energy: 1.2531471058265646
Energy: 1.4608130643222563
Energy: 1.2518796945404203
Energy: 1.4621535326547765
Energy: 1.2863512224118243
Energy: 1.4621535326547765
Energy: 1.2518796945404203
Energy: 1.4621535326547765
Energy: 1.3254143069122277
Energy: 1.4896279846745324
Energy: 1.3261863366512772
Energy: 1.4896279846751799
Energy: 1.325414306912875
Energy: 1.4896279846751799
Energy: 1.3251408649810867
Energy: 1.4504199794239991
Energy: 1.3646561021604149
Energy: 1.4504199794239991
Energy: 1.325140864981734
Energy: 1.4504199794239991
Energy: 1.37777714369829
Energy: 1.50731209197598
Energy: 1.661427418338822
Energy: 1.50731209197598
Energy: 1.37777714369829
Energy: 1.50731209197598
Energy: 1.3250786900682283
Energy: 1.471242459541664
Energy: 1.364368584758834
Energy: 1.4504199794239991
Energy: 1.3250786900688756
Energy: 1.471242459541664
Energy: 1.3252146073769397
Energy: 1.4896656757176618
Energy: 1.326187184218048
Energy: 1.4896656757176618
Energy: 1.3252146073769397
Energy: 1.4896656757176618
Energy: 1.2518188251687632
Energy: 1.462082458110715
Energy: 1.286372660106059
Energy: 1.462082458110715
Energy: 1.2518188251687632
Energy: 1.462082458110715
Energy: 1.2524598007040062
Energy: 1.4608483114940778
Energy: 1.2850334757868365
Energy: 1.4608483114940778
Energy: 1.2524598007046532
Energy: 1.4608483114940778

minimum gb energy = 1.251818825168116 eV
minimum distance =  2.24735571574072 Angstroms
sigma value = 57


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

Energy: 1.3843492556734074
Energy: 1.4172704579376154
Energy: 1.282833132832634
Energy: 1.4172704579376154
Energy: 1.3843492556734074
Energy: 1.4172704579376154
Energy: 1.1333574356051828
Energy: 1.4169417173034402
Energy: 1.162236934833801
Energy: 1.4169417173019667
Energy: 1.1333574356051828
Energy: 1.4169417173034402
Energy: 1.1270816908160386
Energy: 1.37603667769531
Energy: 1.162777647084736
Energy: 1.37603667769531
Energy: 1.1270816908160386
Energy: 1.37603667769531
Energy: 1.1620143222509949
Energy: 1.393869322873516
Energy: 1.2318532580547934
Energy: 1.393869322873516
Energy: 1.1620143222509949
Energy: 1.393869322873516
Energy: 1.1625203503411092
Energy: 1.4176808331816986
Energy: 1.1616434997700567
Energy: 1.4176808331816986
Energy: 1.1625203503411092
Energy: 1.4176808331816986
Energy: 1.1622290119264413
Energy: 1.3759513715581941
Energy: 1.1253076908132649
Energy: 1.3759513715581941
Energy: 1.1622290119279146
Energy: 1.3759513715581941
Energy: 1.162219753873618
Energy: 1.3759752913169316
Energy: 1.1254135397026368
Energy: 1.3759752913169316
Energy: 1.162219753873618
Energy: 1.3759752913169316
Energy: 1.1625203283714276
Energy: 1.4176713949372124
Energy: 1.2349020721049166
Energy: 1.4176713949372124
Energy: 1.1625203283714276
Energy: 1.4176713949372124
Energy: 1.162002482921321
Energy: 1.3938823670784855
Energy: 1.161558326985489
Energy: 1.3938823670784855
Energy: 1.162002482921321
Energy: 1.3938823670784855
Energy: 1.127084946104275
Energy: 1.3760572043303967
Energy: 1.1624234177140984
Energy: 1.3760572043303967
Energy: 1.127084946104275
Energy: 1.3760572043303967
Energy: 1.1334265691954175
Energy: 1.4169417173034402
Energy: 1.2344116771649711
Energy: 1.4169417173034402
Energy: 1.1334265691954175
Energy: 1.4169417173034402
Energy: 1.3843492556719341
Energy: 1.4172704579376154
Energy: 1.2145608682070983
Energy: 1.4172704579376154
Energy: 1.3843492556734074
Energy: 1.4172704579376154
Energy: 1.1333574356051828
Energy: 1.4169417173034402
Energy: 1.162236934833801
Energy: 1.4169417173034402
Energy: 1.1333574356051828
Energy: 1.4169417173034402
Energy: 1.1270816908160386
Energy: 1.37603667769531
Energy: 1.1627776470832625
Energy: 1.37603667769531
Energy: 1.1270816908160386
Energy: 1.37603667769531
Energy: 1.1620143222509949
Energy: 1.393869322873516
Energy: 1.164441590196706
Energy: 1.393869322873516
Energy: 1.1620143222509949
Energy: 1.393869322873516
Energy: 1.1625203503411092
Energy: 1.4176808331816986
Energy: 1.1616434997700567
Energy: 1.4176808331816986
Energy: 1.1625203503411092
Energy: 1.4176808331816986
Energy: 1.1622290119279146
Energy: 1.3759513715581941
Energy: 1.1253076908147381
Energy: 1.3759513715581941
Energy: 1.1622290119279146
Energy: 1.3759513715581941
Energy: 1.162219753873618
Energy: 1.3759752913169316
Energy: 1.1254135397026368
Energy: 1.3759752913169316
Energy: 1.162219753873618
Energy: 1.3759752913169316
Energy: 1.1625203283714276
Energy: 1.4176713949372124
Energy: 1.1643894492442788
Energy: 1.4176713949372124
Energy: 1.1625203283714276
Energy: 1.4176713949372124

minimum gb energy = 1.1253076908132649 eV
minimum distance =  2.23055576464666 Angstroms
sigma value = 11


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

Energy: 1.2077230229975608
Energy: 1.3606230246141704
Energy: 1.2201004134543891
Energy: 1.3606230246141704
Energy: 1.2077230229986404
Energy: 1.3606230246130915
Energy: 1.0468612121718817
Energy: 1.3052414075384249
Energy: 1.044605778004654
Energy: 1.305241407539504
Energy: 1.0468612121686438
Energy: 1.305241407539504
Energy: 1.206074141352584
Energy: 1.2825654707725278
Energy: 1.1291460557651236
Energy: 1.2825654707736072
Energy: 1.206074141352584
Energy: 1.2825654707736072
Energy: 1.0547997244215648
Energy: 1.278539098493952
Energy: 1.0448457351460108
Energy: 1.278539098493952
Energy: 1.0547997244237233
Energy: 1.2785390984928726
Energy: 1.0451930298823444
Energy: 1.3605902757464
Energy: 1.1078126793755922
Energy: 1.3605902757464
Energy: 1.0451930298823444
Energy: 1.3605902757464
Energy: 1.0702854975112401
Energy: 1.3366477989529688
Energy: 1.0445406963529218
Energy: 1.3366477989529688
Energy: 1.0702854975112401
Energy: 1.3366477989529688
Energy: 1.0694370853464716
Energy: 1.2830308383212765
Energy: 1.0449961757530646
Energy: 1.2830308383201972
Energy: 1.0694370853464716
Energy: 1.2830308383212765
Energy: 1.0725593570364154
Energy: 1.3617263163581823
Energy: 1.0563620665574072
Energy: 1.3617263163581823
Energy: 1.0725593570374947
Energy: 1.3617263163581823
Energy: 1.0728807877266617
Energy: 1.3603352090271617
Energy: 1.1309657424681527
Energy: 1.3603352090260825
Energy: 1.0728807877266617
Energy: 1.3603352090260825
Energy: 1.070491242905004
Energy: 1.2825260800197094
Energy: 1.0445121428903965
Energy: 1.2825260800186302
Energy: 1.070491242905004
Energy: 1.2825260800197094
Energy: 1.0692990095995014
Energy: 1.3352664577110733
Energy: 1.0446691047804562
Energy: 1.3352664577110733
Energy: 1.0692990095995014
Energy: 1.3352664577110733
Energy: 1.0463901928776806
Energy: 1.361814515402899
Energy: 1.0457385575466402
Energy: 1.361814515402899
Energy: 1.04639019287876
Energy: 1.361814515402899
Energy: 1.0731872730214933
Energy: 1.2799222213838928
Energy: 1.107542200121766
Energy: 1.2799222213838928
Energy: 1.0731872730225724
Energy: 1.2799222213838928
Energy: 1.045389249761075
Energy: 1.2829919654425537
Energy: 1.0700486020824884
Energy: 1.2829919654425537
Energy: 1.0453892497599957
Energy: 1.2829919654425537
Energy: 1.0461977590088403
Energy: 1.3060435224830014
Energy: 1.0453336132014297
Energy: 1.3060435224830014
Energy: 1.0461977590099196
Energy: 1.306043522481922
Energy: 1.0567904966121535
Energy: 1.361860531408178
Energy: 1.0760998735887028
Energy: 1.3618605314070986
Energy: 1.0567904966121535
Energy: 1.3618605314070986
Energy: 1.0538733819591404
Energy: 1.3037491481374366
Energy: 1.071811783932899
Energy: 1.3037491481385155
Energy: 1.053873381958061
Energy: 1.3037491481374366
Energy: 1.0460874378242084
Energy: 1.2830143668523635
Energy: 1.0964104058469928
Energy: 1.2830143668523635
Energy: 1.0460874378252873
Energy: 1.2830143668523635
Energy: 1.055628040911313
Energy: 1.2779284314265509
Energy: 1.0454716217393938
Energy: 1.277928431425472
Energy: 1.0556280409102337
Energy: 1.2779284314265509
Energy: 1.0465837581769883
Energy: 1.3615275306964452
Energy: 1.0767852984247424
Energy: 1.3615275306964452
Energy: 1.0465837581769883
Energy: 1.3615275306964452
Energy: 1.1323026366133184
Energy: 1.3392843341289746
Energy: 1.0445491786254972
Energy: 1.3392843341278955
Energy: 1.132302636612239
Energy: 1.3392843341289746
Energy: 1.0704146469732856
Energy: 1.2830995579184097
Energy: 1.0522088039947535
Energy: 1.2830995579184097
Energy: 1.0704146469743652
Energy: 1.2830995579184097
Energy: 1.0743166054874482
Energy: 1.3641434849014147
Energy: 1.0564932443895814
Energy: 1.3641434849024943
Energy: 1.0743166054885274
Energy: 1.3641434849024943
Energy: 1.0471489261282851
Energy: 1.3607037141672744
Energy: 1.0459208284059929
Energy: 1.3607037141672744
Energy: 1.0471489261282851
Energy: 1.3607037141683538
Energy: 1.073596915309106
Energy: 1.2834915589452616
Energy: 1.0444269871812735
Energy: 1.2834915589452616
Energy: 1.0735969153101854
Energy: 1.2834915589452616
Energy: 1.0705125572944263
Energy: 1.3360213012596045
Energy: 1.0516010770810065
Energy: 1.3360213012596045
Energy: 1.0705125572944263
Energy: 1.3360213012596045

minimum gb energy = 1.0444269871812735 eV
minimum distance =  2.26021627885584 Angstroms
sigma value = 41


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

Energy: 1.416486139658182
Energy: 1.2988357563250559
Energy: 1.1493526425427438
Energy: 1.2988357563250559
Energy: 1.4164861396573316
Energy: 1.2988357563259068
Energy: 1.190720682027216
Energy: 1.1999677273475664
Energy: 0.9555500192871723
Energy: 1.1999677273475664
Energy: 1.190720682027216
Energy: 1.1999677273475664
Energy: 1.063976231146052
Energy: 1.2451828405071883
Energy: 0.9908409103246645
Energy: 1.2451828405071883
Energy: 1.063976231146052
Energy: 1.2451828405071883
Energy: 1.1971621576190723
Energy: 1.1677874634613212
Energy: 0.9558058586526671
Energy: 1.1677874634613212
Energy: 1.1971621576182216
Energy: 1.1677874634613212
Energy: 1.0714279845086019
Energy: 1.1620636199670842
Energy: 1.0097062627680944
Energy: 1.1620636199670842
Energy: 1.0714279845086019
Energy: 1.1620636199670842
Energy: 1.2115641677899878
Energy: 1.2405884100374298
Energy: 0.9554947481987739
Energy: 1.2405884100374298
Energy: 1.2115641677899878
Energy: 1.2405884100374298
Energy: 0.9563914101238028
Energy: 1.2447035768843788
Energy: 0.9563487061503647
Energy: 1.2447035768843788
Energy: 0.9563914101238028
Energy: 1.2447035768843788
Energy: 1.0592544947526814
Energy: 1.2584275596880263
Energy: 0.959026025690249
Energy: 1.2584275596880263
Energy: 1.0592544947518308
Energy: 1.2584275596880263
Energy: 0.987886336780865
Energy: 1.1621787427420727
Energy: 1.1388934851475359
Energy: 1.1621787427412218
Energy: 0.987886336780865
Energy: 1.1621787427412218
Energy: 1.2209299811995626
Energy: 1.2463877120609064
Energy: 1.206812925363637
Energy: 1.2463877120600555
Energy: 1.2209299811995626
Energy: 1.2463877120600555
Energy: 1.2195939470962103
Energy: 1.2446173022035392
Energy: 1.261134933663873
Energy: 1.2446173022035392
Energy: 1.2195939470953598
Energy: 1.2446173022035392
Energy: 0.9901374937938584
Energy: 1.2715101381754224
Energy: 0.9588258309328339
Energy: 1.25795144918153
Energy: 0.9901374937938584
Energy: 1.2715101381754224
Energy: 0.9876568119783645
Energy: 1.2243588225353381
Energy: 1.1389661940938458
Energy: 1.2243588225353381
Energy: 0.9876568119783645
Energy: 1.2243588225353381
Energy: 0.9591117994570576
Energy: 1.2464865010010755
Energy: 0.9556841160602494
Energy: 1.2464865010019264
Energy: 0.9591117994570576
Energy: 1.2464865010019264
Energy: 1.2081970533999442
Energy: 1.2452964520608396
Energy: 0.955970351215957
Energy: 1.2452964520608396
Energy: 1.2081970533999442
Energy: 1.2452964520608396
Energy: 0.9557088747612801
Energy: 1.278926539775649
Energy: 0.956307960940133
Energy: 1.2715834022239585
Energy: 0.9557088747604294
Energy: 1.278926539775649
Energy: 1.1922250348095986
Energy: 1.259845050003641
Energy: 1.0091107421944225
Energy: 1.259845050003641
Energy: 1.1922250348095986
Energy: 1.259845050003641
Energy: 0.9584010893439745
Energy: 1.2466323219352553
Energy: 0.988052967608509
Energy: 1.2466323219352553
Energy: 0.9584010893439745
Energy: 1.2466323219352553
Energy: 1.1906791275623754
Energy: 1.1930070668282144
Energy: 0.9557194689297945
Energy: 1.1930070668282144
Energy: 1.1906791275623754
Energy: 1.1930070668282144
Energy: 1.205921333800775
Energy: 1.2789277655731157
Energy: 1.1082893292487936
Energy: 1.2575436670946374
Energy: 1.205921333808431
Energy: 1.2789277655731157
Energy: 1.2245903061645336
Energy: 1.1966314103855096
Energy: 0.9912651231590565
Energy: 1.1966314103855096
Energy: 1.2245903061653844
Energy: 1.1966314103855096
Energy: 0.9583122796491244
Energy: 1.2465434194709535
Energy: 1.029439480260518
Energy: 1.246543419471804
Energy: 0.9583122796491244
Energy: 1.2465434194709535
Energy: 1.1985222406689375
Energy: 1.1648844135231389
Energy: 0.9558756938826597
Energy: 1.1648844135231389
Energy: 1.1985222406680869
Energy: 1.1648844135231389
Energy: 0.9554921211287268
Energy: 1.2004838427562288
Energy: 0.9910098835838954
Energy: 1.2246927831434256
Energy: 0.9554921211278762
Energy: 1.2004838427562288
Energy: 1.098404048795909
Energy: 1.2244364274705493
Energy: 0.9551511824219463
Energy: 1.2244364274705493
Energy: 1.098404048795909
Energy: 1.2244364274705493
Energy: 0.9589209668127353
Energy: 1.2008868390250325
Energy: 0.9585759754152269
Energy: 1.2008868390241818
Energy: 0.9589209668127353
Energy: 1.2008868390241818
Energy: 1.0580677217751298
Energy: 1.2448189131624747
Energy: 0.9582724225186278
Energy: 1.244818913161624
Energy: 1.0580677217751298
Energy: 1.2448189131624747
Energy: 0.990224074520176
Energy: 1.200582832959937
Energy: 1.1898497847640308
Energy: 1.200582832959937
Energy: 0.990224074520176
Energy: 1.200582832959937
Energy: 1.2187795102783427
Energy: 1.2448927979142956
Energy: 1.2605488113257801
Energy: 1.2448927979142956
Energy: 1.2187795102774917
Energy: 1.2448927979142956
Energy: 0.9592670329069897
Energy: 1.0722548057628765
Energy: 1.2606441343046177
Energy: 1.0722548057603243
Energy: 0.9592670329069897
Energy: 1.0722548057586232
Energy: 0.9879808492602996
Energy: 1.2447073798424488
Energy: 0.9586379303769287
Energy: 1.2447073798424488
Energy: 0.9879808492611503
Energy: 1.2447073798424488
Energy: 0.9905253416599933
Energy: 1.2439664465969127
Energy: 1.1897183143144492
Energy: 1.2439664465969127
Energy: 0.9905253416599933
Energy: 1.2439664465969127
Energy: 0.9559791217446723
Energy: 1.2446807078381965
Energy: 0.9553061946356534
Energy: 1.2446807078373845
Energy: 0.9559791217446723
Energy: 1.2446807078381965

minimum gb energy = 0.9551511824219463 eV
minimum distance =  2.248675816995 Angstroms
sigma value = 33


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

Energy: 1.1974151405194335
Energy: 1.1143641833944347
Energy: 1.0191243084098098
Energy: 1.1143641833944347
Energy: 1.1974151405188365
Energy: 1.1143641833944347
Energy: 1.6442119216248487
Energy: 0.895065854853415
Energy: 0.848613990826471
Energy: 0.895065854852818
Energy: 1.6442119216248487
Energy: 0.8950658548546091
Energy: 1.164682699701292
Energy: 1.124628441841152
Energy: 0.9434860381358425
Energy: 1.124628441841152
Energy: 1.164682699701292
Energy: 1.124628441841152
Energy: 1.4899498360983807
Energy: 0.865305343076501
Energy: 0.8484445369468289
Energy: 0.8653053430770979
Energy: 1.4899498360983807
Energy: 0.8653053430753069
Energy: 0.9238171060652385
Energy: 1.1120262596989878
Energy: 0.8787461595969326
Energy: 1.1120262596995845
Energy: 0.9238171060652385
Energy: 1.1120262596995845
Energy: 1.3400990217983468
Energy: 1.0772590421995245
Energy: 0.8485155761916477
Energy: 1.0772590421989277
Energy: 1.3400990217977502
Energy: 1.0772590421995245
Energy: 0.9160057811967235
Energy: 1.0759053425288592
Energy: 0.8532600410308091
Energy: 1.0759053425288592
Energy: 0.9160057811967235
Energy: 1.075905342528262
Energy: 1.1856815384746158
Energy: 1.0797063266580573
Energy: 0.8456346227594493
Energy: 1.0797063266586542
Energy: 1.1856815384746158
Energy: 1.0797063266586542
Energy: 0.8470662479289528
Energy: 1.106204994033203
Energy: 0.9786102905774936
Energy: 1.1062049940337997
Energy: 0.8470662479295498
Energy: 1.1062049940337997
Energy: 1.0316037409206946
Energy: 1.098008415857548
Energy: 1.0208229050274376
Energy: 1.098008415858742
Energy: 1.0316037409218886
Energy: 1.0980084158581447
Energy: 0.8490582896185629
Energy: 1.0761026835339558
Energy: 1.03149423697756
Energy: 1.07610268353515
Energy: 0.8490582896179659
Energy: 1.076102683534553
Energy: 1.3485532949573638
Energy: 1.112164857365893
Energy: 1.0742482011731018
Energy: 1.1121648573652958
Energy: 1.3485532949573638
Energy: 1.1121648573652958
Energy: 1.0236126569325936
Energy: 1.1058744288338627
Energy: 1.2750594645221511
Energy: 1.1058744288338627
Energy: 1.0236126569313995
Energy: 1.1058744288332654
Energy: 1.0409008737660912
Energy: 1.1140578275051667
Energy: 1.3496288471972067
Energy: 1.1140578275051667
Energy: 1.040900873766688
Energy: 1.1140578275057635
Energy: 1.0372280659362592
Energy: 1.0760526913484587
Energy: 1.3496464631540528
Energy: 1.0760526913484587
Energy: 1.0372280659362592
Energy: 1.0760526913484587
Energy: 1.0263643805848168
Energy: 1.1153776128199913
Energy: 1.0740571329969948
Energy: 1.1153776128199913
Energy: 1.0263643805848168
Energy: 1.1153776128199913
Energy: 1.0237143278562226
Energy: 1.1005971413686342
Energy: 1.26624388155257
Energy: 1.100597141369231
Energy: 1.0237143278556253
Energy: 1.100597141369231
Energy: 0.8529788881866589
Energy: 1.11350689169331
Energy: 1.0212300628213526
Energy: 1.11350689169331
Energy: 0.8529788881866589
Energy: 1.11350689169331
Energy: 1.0371524473567928
Energy: 1.0984487456969092
Energy: 1.0308292597457
Energy: 1.0984487456969092
Energy: 1.0371524473561962
Energy: 1.0984487456969092
Energy: 0.8516421731328891
Energy: 1.1154530518238415
Energy: 0.845813903005968
Energy: 1.1154530518238415
Energy: 0.8516421731328891
Energy: 1.1154530518238415
Energy: 1.023502640489323
Energy: 1.0947200260819856
Energy: 0.9786024410779522
Energy: 1.0947200260825825
Energy: 1.0235026404887257
Energy: 1.0947200260819856
Energy: 0.8451118656204166
Energy: 1.1134730235816894
Energy: 0.848800616759312
Energy: 1.1134730235822865
Energy: 0.8451118656198198
Energy: 1.1134730235822865
Energy: 1.3545104558778285
Energy: 1.1037385304040588
Energy: 0.8535183066805148
Energy: 1.1037385304040588
Energy: 1.3545104558778285
Energy: 1.1037385304040588
Energy: 0.8553179462229932
Energy: 1.1155186267873707
Energy: 0.8487919140104101
Energy: 1.1155186267873707
Energy: 0.8553179462229932
Energy: 1.1155186267873707
Energy: 1.3417729646135177
Energy: 1.095630181256059
Energy: 0.982887776764098
Energy: 1.095630181256059
Energy: 1.3417729646129208
Energy: 1.095630181256059
Energy: 1.0749958332895964
Energy: 1.1134394628437743
Energy: 0.8654391972220493
Energy: 1.113439462843177
Energy: 1.0749958332889995
Energy: 1.113439462843177
Energy: 1.6488729232422492
Energy: 0.8682684596892306
Energy: 0.8533923797431848
Energy: 0.8682684596898276
Energy: 1.6488729232422492
Energy: 0.8682684596898276
Energy: 1.1053291921546182
Energy: 1.111539366271106
Energy: 1.0367209306045142
Energy: 1.111539366271106
Energy: 1.1053291921528274
Energy: 1.1115393662717028
Energy: 1.343807543753722
Energy: 1.0855457033151088
Energy: 0.9344106565186766
Energy: 1.0855457033139149
Energy: 1.3438075437525279
Energy: 1.0855457033139149
Energy: 1.0747312683838726
Energy: 1.1131017691833467
Energy: 1.0623139283112326
Energy: 1.113101769183944
Energy: 1.0747312683838726
Energy: 1.113101769183944
Energy: 1.3462548860718284
Energy: 0.8682130273562835
Energy: 0.8529447655254874
Energy: 0.8682130273544926
Energy: 1.3462548860730226
Energy: 0.8682130273568804
Energy: 0.8551387277150511
Energy: 1.0962148307168722
Energy: 0.9513494434526887
Energy: 1.0962148307168722
Energy: 0.8551387277150511
Energy: 1.0962148307168722
Energy: 1.1828833948688786
Energy: 1.0735587086749825
Energy: 0.8514215479290326
Energy: 1.0735587086755796
Energy: 1.182883394868282
Energy: 1.0735587086755796
Energy: 0.8450617205035809
Energy: 1.0780299223270717
Energy: 1.1971082049072075
Energy: 1.0780299223276686
Energy: 0.845061720504178
Energy: 1.0780299223276686
Energy: 1.1970078397329778
Energy: 1.0780256693215973
Energy: 0.845057280626336
Energy: 1.0780256693210004
Energy: 1.1970078397329778
Energy: 1.0780256693204033
Energy: 0.8516704810306547
Energy: 1.0735784210445618
Energy: 1.1845973392144733
Energy: 1.073578421043965
Energy: 0.8516704810306547
Energy: 1.073578421043965
Energy: 0.9512450349974074
Energy: 1.096222869440475
Energy: 0.855061846945105
Energy: 1.096222869440475
Energy: 0.9512450349974074
Energy: 1.0962228694398777
Energy: 0.8529035138399449
Energy: 0.865441938961861
Energy: 1.348999173432728
Energy: 0.8654419389636518
Energy: 0.8529035138399449
Energy: 0.8654419389630549
Energy: 1.0623139283112326
Energy: 1.1132724197245147
Energy: 1.0746343991286502
Energy: 1.1132724197245147
Energy: 1.0623139283118297
Energy: 1.1132724197245147
Energy: 1.026336936898771
Energy: 1.0854428659426922
Energy: 1.343940025234171
Energy: 1.085442865943289
Energy: 1.026336936898771
Energy: 1.085442865943289
Energy: 1.0367676890555269
Energy: 1.1147196907383796
Energy: 1.1015413614778673
Energy: 1.1147196907371857
Energy: 1.03676768905493
Energy: 1.1147196907371857
Energy: 0.8532405054262864
Energy: 0.8663454323428466
Energy: 1.638871079862823
Energy: 0.8663454323452344
Energy: 0.8532405054256894
Energy: 0.8663454323452344
Energy: 0.8652412347761278
Energy: 1.1134289369657304
Energy: 1.0747372322351625
Energy: 1.1134289369651331
Energy: 0.8652412347761278
Energy: 1.1134289369657304
Energy: 1.0273997650032571
Energy: 1.0956666456655135
Energy: 1.3416982175269465
Energy: 1.0956666456655135
Energy: 1.0273997650032571
Energy: 1.0956666456661106
Energy: 0.8488695866634428
Energy: 1.1155059237069764
Energy: 0.8552529600012091
Energy: 1.1155059237075733
Energy: 0.8488695866634428
Energy: 1.1155059237075733
Energy: 0.8535608644567703
Energy: 1.1037385304082377
Energy: 1.3500544246183404
Energy: 1.1037385304088347
Energy: 0.8535608644567703
Energy: 1.1037385304088347
Energy: 0.8487661672755307
Energy: 1.1134937421833089
Energy: 0.8453312191966816
Energy: 1.113493742182115
Energy: 0.8487661672755307
Energy: 1.1134937421827122

minimum gb energy = 0.845057280626336 eV
minimum distance =  2.2843258789694 Angstroms
sigma value = 67


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

Energy: 0.2571822438874715
Energy: 0.2580979133028019
Energy: 0.8772665430559854
Energy: 0.2580979133028019
Energy: 0.2571822438874715
Energy: 0.2580979133028019
Energy: 0.26361192815263623
Energy: 0.7997161121964571
Energy: 0.629121433500517
Energy: 0.7997161121972279
Energy: 0.26361192815299894
Energy: 0.7997161121972279
Energy: 0.2571822438874715
Energy: 0.2580979133028019
Energy: 0.8772665430559854
Energy: 0.2580979133028019
Energy: 0.2571822438874715
Energy: 0.2580979133028019
Energy: 0.26361192815263623
Energy: 0.7997161121964571
Energy: 0.6291213687094286
Energy: 0.7997161121972279
Energy: 0.26361192815222817
Energy: 0.7997161121972279
Energy: 0.2571822438874715
Energy: 0.25809791330243914
Energy: 0.8772665430559854
Energy: 0.2580979133032099
Energy: 0.2571822438874715
Energy: 0.2580979133032099
Energy: 0.26361192815263623
Energy: 0.7997161121968653
Energy: 0.6291214064864742
Energy: 0.7997161121972279
Energy: 0.26361192815263623
Energy: 0.7997161121972279
Energy: 0.25718224388710875
Energy: 0.2580979133028019
Energy: 0.8772665430563935
Energy: 0.2580979133032099
Energy: 0.25718224388710875
Energy: 0.2580979133032099

minimum gb energy = 0.25718224388710875 eV
minimum distance =  2.43404413891317 Angstroms
sigma value = 3


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

Energy: 1.474066688575917
Energy: 1.1036822638556558
Energy: 0.9675101828364687
Energy: 1.1036822638594563
Energy: 1.47406668857646
Energy: 1.1036822638594563
Energy: 1.599578010628911
Energy: 0.849139589701792
Energy: 0.838610371386516
Energy: 0.8491395897045068
Energy: 1.5995780106310826
Energy: 0.8491395897045068
Energy: 1.619555254255725
Energy: 1.1078199846553405
Energy: 1.0314566462521684
Energy: 1.1078199846569694
Energy: 1.6195552541412122
Energy: 1.1078199846569694
Energy: 1.3818708795208705
Energy: 0.8577937694484664
Energy: 0.8409997805214655
Energy: 0.8577937694490094
Energy: 1.3818708795371588
Energy: 0.8577937694517241
Energy: 1.1803788156081776
Energy: 0.9096417633734818
Energy: 0.958909891179235
Energy: 0.9096417633751107
Energy: 1.1803788156070918
Energy: 0.9096417633761965
Energy: 1.3766055047412487
Energy: 0.9472920278183825
Energy: 0.8945752734256017
Energy: 0.9472920278167536
Energy: 1.3766055047401626
Energy: 0.9472920278172965
Energy: 1.2513555109919543
Energy: 0.8992916852251985
Energy: 1.0230716153821633
Energy: 0.8992916852246556
Energy: 1.2513555109914114
Energy: 0.8992916852213979
Energy: 1.2499291833085973
Energy: 1.0752697585205329
Energy: 0.9118084016378479
Energy: 1.0752697585232476
Energy: 1.2499291833102262
Energy: 1.0752697585227047
Energy: 0.9339692994172484
Energy: 0.8797175915865797
Energy: 1.1857413867880802
Energy: 0.8797175915860367
Energy: 0.9339692994172484
Energy: 0.8797175915865797
Energy: 1.1061976885998588
Energy: 1.0722559903713167
Energy: 1.1184540144365807
Energy: 1.072255990374574
Energy: 1.1061976886004017
Energy: 1.072255990374574
Energy: 0.9254762785982698
Energy: 0.972874395650199
Energy: 1.2643561679692719
Energy: 0.9728743956518278
Energy: 0.9254762785988127
Energy: 0.9728743956512849
Energy: 1.071377524677568
Energy: 1.0903285228784156
Energy: 1.1376416738142399
Energy: 1.0903285228789585
Energy: 1.071377524677568
Energy: 1.0903285228789585
Energy: 0.83859243542621
Energy: 0.8338413518588187
Energy: 1.4701255513043536
Energy: 0.8338413518571899
Energy: 0.8385924354256669
Energy: 0.833841351856647
Energy: 0.9927336954695113
Energy: 1.1000150574815362
Energy: 1.3923680832195349
Energy: 1.1000150574826217
Energy: 0.9927336954705973
Energy: 1.1000150574826217
Energy: 0.8397043919197518
Energy: 0.8476067153780412
Energy: 1.468776810029239
Energy: 0.8476067153791274
Energy: 0.8397043919197518
Energy: 0.8476067153807559
Energy: 0.8430037553197401
Energy: 1.0937699521246982
Energy: 1.348002978947864
Energy: 1.0937699521236122
Energy: 0.8430037553191971
Energy: 1.0937699521230693
Energy: 0.8322330640115286
Energy: 0.8465779743337973
Energy: 1.3992943929511323
Energy: 0.8465779743359692
Energy: 0.8322330640120716
Energy: 0.8465779743359692
Energy: 0.8434373870394402
Energy: 1.0999322413999988
Energy: 1.4870472262386751
Energy: 1.099932241397284
Energy: 0.8434373870394402
Energy: 1.0999322413978267
Energy: 0.8863924314844492
Energy: 1.0737910198277842
Energy: 1.3752050328690695
Energy: 1.0737910198277842
Energy: 0.8863924314844492
Energy: 1.0737910198277842
Energy: 0.8887613217656055
Energy: 1.0941732511738498
Energy: 1.1405432101390869
Energy: 1.0941732511738498
Energy: 0.8887613217656055
Energy: 1.0941732511738498
Energy: 0.8865160296484789
Energy: 1.0764346263678701
Energy: 1.3055565736134278
Energy: 1.0764346263667843
Energy: 0.8865160296484789
Energy: 1.0764346263667843
Energy: 0.9046121735286909
Energy: 1.0952489571712267
Energy: 1.12380592682385
Energy: 1.0952489571712267
Energy: 0.9046121735286909
Energy: 1.0952489571712267
Energy: 1.1040212576600625
Energy: 1.0766616161492997
Energy: 1.1028780630534183
Energy: 1.0766616161514713
Energy: 1.1040212576600625
Energy: 1.0766616161514713
Energy: 1.1214753496831116
Energy: 1.0943870953310213
Energy: 0.9118971846382633
Energy: 1.0943870953331931
Energy: 1.1214753496831116
Energy: 1.0943870953331931
Energy: 1.1175019014557248
Energy: 1.0952640120370594
Energy: 1.0369638652678907
Energy: 1.0952640120370594
Energy: 1.1175019014557248
Energy: 1.0952640120376025
Energy: 1.1425519488556999
Energy: 1.0949854780320594
Energy: 0.900057250989932
Energy: 1.0949854780320594
Energy: 1.142551948855157
Energy: 1.0949854780326025
Energy: 1.3819827703352394
Energy: 1.094500897578507
Energy: 0.8874637422590346
Energy: 1.0945008975763355
Energy: 1.3819827703352394
Energy: 1.0945008975768782
Energy: 1.398637655519645
Energy: 1.1000332130420294
Energy: 0.8413234136195048
Energy: 1.1000332130393145
Energy: 1.3986376555191022
Energy: 1.1000332130387718
Energy: 1.4071763211213963
Energy: 1.086508015377457
Energy: 0.9939529775836458
Energy: 1.0865080153779998
Energy: 1.4071763211208537
Energy: 1.0865080153785427
Energy: 1.4231657478692785
Energy: 1.0939293500781315
Energy: 0.8410698037786505
Energy: 1.0939293500781315
Energy: 1.4231657478692785
Energy: 1.0939293500786744
Energy: 1.5379846640850996
Energy: 1.0934475602709437
Energy: 0.8418725958007475
Energy: 1.093447560271487
Energy: 1.5379846640845567
Energy: 1.0934475602725726
Energy: 1.3985605052356709
Energy: 1.1010184912270322
Energy: 1.0050147817033843
Energy: 1.1010184912275751
Energy: 1.3985605052372996
Energy: 1.101018491228118
Energy: 1.4074152011034216
Energy: 1.0705241680573214
Energy: 0.8406673624814273
Energy: 1.0705241680584072
Energy: 1.4074152011034216
Energy: 1.0705241680584072
Energy: 1.1424023439724214
Energy: 1.0898916867942825
Energy: 0.8898377703762154
Energy: 1.0898916867942825
Energy: 1.1424023439729643
Energy: 1.0898916867942825
Energy: 1.3817362554129575
Energy: 1.094971528503449
Energy: 0.9040431152538048
Energy: 1.0949715285039916
Energy: 1.3817362554118713
Energy: 1.0949715285039916
Energy: 1.1207459794608798
Energy: 1.0721388146995814
Energy: 1.1012450363597357
Energy: 1.0721388146984954
Energy: 1.1207459794619656
Energy: 1.0721388146984954
Energy: 1.1173791110048399
Energy: 1.0698521201776023
Energy: 0.9156014982485169
Energy: 1.0698521201754305
Energy: 1.1173791110048399
Energy: 1.0698521201754305
Energy: 0.9053412584614768
Energy: 1.0746598863217234
Energy: 1.0985923737119545
Energy: 1.0746598863249812
Energy: 0.9053412584614768
Energy: 1.0746598863244383
Energy: 1.105437631984109
Energy: 1.0974058519627057
Energy: 1.2135678982060334
Energy: 1.0974058519610768
Energy: 1.105437631985195
Energy: 1.0974058519610768
Energy: 0.8880975068731544
Energy: 1.0270748059255979
Energy: 1.3156919142908396
Energy: 1.02707480592777
Energy: 0.8880975068726112
Energy: 1.0270748059272268
Energy: 0.8869341878916599
Energy: 1.082297383326161
Energy: 1.1385131579497045
Energy: 1.082297383325075
Energy: 0.8869341878922028
Energy: 1.0822973833256182
Energy: 0.8443372100464281
Energy: 0.9961189601234085
Energy: 1.32266017352884
Energy: 0.9961189601234085
Energy: 0.8443372100464281
Energy: 0.9961189601234085
Energy: 0.8865932253871129
Energy: 1.102027423690659
Energy: 1.4710013099285717
Energy: 1.102027423692288
Energy: 0.88659322538657
Energy: 1.102027423692831
Energy: 0.8326641586402347
Energy: 0.892374786001472
Energy: 1.5287722580584977
Energy: 0.8923747860020149
Energy: 0.8326641586402347
Energy: 0.892374786001472
Energy: 0.843239853124527
Energy: 1.1138999081718017
Energy: 1.3481117773739124
Energy: 1.1138999081734307
Energy: 0.84323985312507
Energy: 1.1138999081739736
Energy: 0.846873197368013
Energy: 0.851119364919622
Energy: 1.466505093926027
Energy: 0.851119364920165
Energy: 0.8468731973674701
Energy: 0.851119364920165
Energy: 0.9036469300360379
Energy: 1.1023816265003594
Energy: 1.3904381407276962
Energy: 1.1023816265019881
Energy: 0.9036469300365808
Energy: 1.1023816265019881
Energy: 0.839112552513014
Energy: 0.8461600180227277
Energy: 1.5258895718091936
Energy: 0.8461600180210989
Energy: 0.8391125525140998
Energy: 0.8461600180216419
Energy: 0.898143739580364
Energy: 1.0821091802990057
Energy: 1.140197207862727
Energy: 1.082109180296291
Energy: 0.898143739580364
Energy: 1.082109180296291
Energy: 0.9024031633816326
Energy: 0.8844932681387625
Energy: 1.2511382429757416
Energy: 0.8844932681403913
Energy: 0.9024031633810896
Energy: 0.8844932681403913
Energy: 1.1098864093332366
Energy: 1.0734736594789405
Energy: 1.158490543454942
Energy: 1.0734736594789405
Energy: 1.1098864093337797
Energy: 1.0734736594789405

minimum gb energy = 0.8322330640115286 eV
minimum distance =  2.28090597554546 Angstroms
sigma value = 81


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

Energy: 1.4744045288022463
Energy: 1.0432678500158772
Energy: 1.2361759570131807
Energy: 1.0432678500166221
Energy: 1.4744045288015013
Energy: 1.043267850015132
Energy: 1.3316617557064006
Energy: 0.9518220063861269
Energy: 0.927267219127938
Energy: 0.9518220063868722
Energy: 1.331661755707146
Energy: 0.9518220063861269
Energy: 1.4061334989937349
Energy: 1.2452115695925825
Energy: 1.1647660275980607
Energy: 1.2452115695918713
Energy: 1.4061334989944803
Energy: 1.2452115695918713
Energy: 1.3171254603227798
Energy: 0.9308815034722316
Energy: 0.9351695405820908
Energy: 0.9308815034722316
Energy: 1.3171254603220346
Energy: 0.9308815034722316
Energy: 1.0797094143021086
Energy: 0.9326935778340398
Energy: 1.0017510069864874
Energy: 0.9326935778355303
Energy: 1.0797094143013637
Energy: 0.9326935778355303
Energy: 1.1710109932840926
Energy: 0.9328483353474156
Energy: 1.0193764845173208
Energy: 0.9328483353467043
Energy: 1.1710109932833472
Energy: 0.9328483353474156
Energy: 1.0516676944130763
Energy: 0.9292448904039826
Energy: 1.1816340036332071
Energy: 0.9292448904032375
Energy: 1.0516676944130763
Energy: 0.9292448904039826
Energy: 1.0140846267192558
Energy: 0.9357349171839423
Energy: 1.0505061801573037
Energy: 0.9357349171831972
Energy: 1.014084626720001
Energy: 0.9357349171831972
Energy: 0.9338381258356268
Energy: 0.9232454118313816
Energy: 1.2536725668117343
Energy: 0.9232454118321268
Energy: 0.9338381258356268
Energy: 0.9232454118321268
Energy: 1.0297268329225877
Energy: 1.2365557835878416
Energy: 1.3459403393576423
Energy: 1.2365557835863514
Energy: 1.0297268329225877
Energy: 1.2365557835870964
Energy: 0.9301787888931492
Energy: 0.9277153185151543
Energy: 1.2408474971065189
Energy: 0.9277153185158996
Energy: 0.9301787888931492
Energy: 0.9277153185158996
Energy: 0.935904969888722
Energy: 1.2435750348750132
Energy: 1.323134867837377
Energy: 1.2435750348750132
Energy: 0.935904969888722
Energy: 1.2435750348750132
Energy: 0.9222581027343252
Energy: 0.9363877166065104
Energy: 1.25491880691495
Energy: 0.9363877166065104
Energy: 0.92225810273358
Energy: 0.9363877166057653
Energy: 1.0024556562776208
Energy: 1.2364351306366308
Energy: 1.3452468435902496
Energy: 1.2364351306358854
Energy: 1.0024556562776208
Energy: 1.2364351306358854
Energy: 1.0005487468585714
Energy: 0.9442834533718873
Energy: 1.314242674067676
Energy: 0.944283453370397
Energy: 1.0005487468585714
Energy: 0.944283453370397
Energy: 1.0125103009894114
Energy: 1.2437855240569238
Energy: 1.0504567706045356
Energy: 1.2437855240576687
Energy: 1.0125103009894114
Energy: 1.2437855240576687
Energy: 1.0046509992221655
Energy: 1.1883707308599822
Energy: 1.3120190583428062
Energy: 1.1883707308614726
Energy: 1.0046509992221655
Energy: 1.1883707308614726
Energy: 1.3316022124059341
Energy: 1.2231016321806207
Energy: 1.01950402382604
Energy: 1.2231016321806207
Energy: 1.331602212406679
Energy: 1.2231016321806207
Energy: 1.346634589625055
Energy: 1.2386795145846532
Energy: 1.004081283018765
Energy: 1.2386795145846532
Energy: 1.346634589625055
Energy: 1.2386795145846532
Energy: 1.3420036893844935
Energy: 1.2442538491237978
Energy: 0.9357161896042409
Energy: 1.2442538491237978
Energy: 1.3420036893837481
Energy: 1.2442538491230526
Energy: 1.3417757917233177
Energy: 1.236703966245039
Energy: 1.1596016312810236
Energy: 1.2367039662457844
Energy: 1.3417757917225726
Energy: 1.2367039662457844
Energy: 1.3414819356409038
Energy: 0.9419514436119196
Energy: 0.9311895828149401
Energy: 0.9419514436141214
Energy: 1.341481935641649
Energy: 0.9419514436148665
Energy: 1.3414119605269728
Energy: 1.2170040497892436
Energy: 0.9310863455495038
Energy: 1.2170040497884984
Energy: 1.341411960527718
Energy: 1.2170040497884984
Energy: 1.3418898184662944
Energy: 1.2365076834784048
Energy: 1.0951726151183727
Energy: 1.23650768347915
Energy: 1.3418898184662944
Energy: 1.23650768347915
Energy: 1.3418014016881492
Energy: 1.244394290480706
Energy: 0.9348764003054967
Energy: 1.2443942904792158
Energy: 1.3418014016888944
Energy: 1.2443942904792158
Energy: 1.3132025316952494
Energy: 1.2384920262744548
Energy: 1.0038548026388252
Energy: 1.2384920262752
Energy: 1.3132025316945042
Energy: 1.2384920262752
Energy: 1.3123725240851867
Energy: 1.2232260857181636
Energy: 1.0187343638392858
Energy: 1.2232260857181636
Energy: 1.3123725240851867
Energy: 1.2232260857181636
Energy: 1.01195386995012
Energy: 1.1878285603478391
Energy: 1.1442929538949456
Energy: 1.1878285603478391
Energy: 1.01195386995012
Energy: 1.1878285603485845
Energy: 1.0050632422632677
Energy: 1.2440941903840064
Energy: 1.0434122456022115
Energy: 1.2440941903832614
Energy: 1.0050632422632677
Energy: 1.2440941903832614
Energy: 1.0004819650215695
Energy: 0.9442834533718873
Energy: 1.2554479440454864
Energy: 0.9442834533696518
Energy: 1.0004819650215695
Energy: 0.944283453370397
Energy: 1.0022602601088553
Energy: 1.23652757151142
Energy: 1.346272544765865
Energy: 1.2365275715106745
Energy: 1.0022602601096005
Energy: 1.2365275715106745
Energy: 0.9222075874434836
Energy: 0.9348361779772781
Energy: 1.2634119347615058
Energy: 0.9348361779772781
Energy: 0.9222075874442288
Energy: 0.9348361779780233
Energy: 0.9358761016154264
Energy: 1.2437172657840354
Energy: 1.289119195091976
Energy: 1.2437172657840354
Energy: 0.9358761016154264
Energy: 1.2437172657840354
Energy: 0.9300487645641928
Energy: 0.9261574252784543
Energy: 1.240531224052386
Energy: 0.9261574252791995
Energy: 0.9300487645641928
Energy: 0.9261574252799448
Energy: 1.0297268329225877
Energy: 1.2366735845878438
Energy: 1.3453671115081294
Energy: 1.2366735845878438
Energy: 1.0297268329225877
Energy: 1.2366735845878438
Energy: 0.9338089195445838
Energy: 0.9229686348933881
Energy: 1.1620316793313934
Energy: 0.9229686348948786
Energy: 0.9338089195445838
Energy: 0.9229686348948786
Energy: 1.0145838160898912
Energy: 0.9367194646865539
Energy: 1.0488025376446888
Energy: 0.9367194646858086
Energy: 1.0145838160906362
Energy: 0.9367194646858086
Energy: 1.0515664541747316
Energy: 0.9296986215188126
Energy: 1.1649027960971572
Energy: 0.9296986215203029
Energy: 1.0515664541739864
Energy: 0.9296986215188126

minimum gb energy = 0.9222075874434836 eV
minimum distance =  2.29661564387289 Angstroms
sigma value = 43


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

Energy: 1.560473539921224
Energy: 1.3452448629270075
Energy: 1.186309827651606
Energy: 1.3452448629260922
Energy: 1.560473539921224
Energy: 1.3452448629260922
Energy: 1.365744327608664
Energy: 1.0488171599943648
Energy: 0.9869067730435211
Energy: 1.0488171599943648
Energy: 1.3657443276095795
Energy: 1.0488171599943648
Energy: 1.0544321401469743
Energy: 0.984799533658771
Energy: 1.1458514812253502
Energy: 0.984799533658771
Energy: 1.0544321401469743
Energy: 0.984799533658771
Energy: 1.3698996604434617
Energy: 0.9890411033222714
Energy: 0.9878351150499908
Energy: 0.9890411033222714
Energy: 1.3698996604434617
Energy: 0.9890411033222714
Energy: 1.0059454437744388
Energy: 0.9869092099189322
Energy: 1.1040499137728668
Energy: 0.9869092099189322
Energy: 1.0059454437744388
Energy: 0.9869092099180167
Energy: 1.0059584004815643
Energy: 0.992550390493297
Energy: 0.9868732342816288
Energy: 0.992550390493297
Energy: 1.0059584004815643
Energy: 0.992550390493297
Energy: 0.9844999148813318
Energy: 0.9855556132794515
Energy: 1.1899447047895502
Energy: 0.9855556132794515
Energy: 0.9844999148813318
Energy: 0.9855556132794515
Energy: 1.0665220735316259
Energy: 0.9896512581487042
Energy: 1.037247394282355
Energy: 0.9896512581496196
Energy: 1.0665220735316259
Energy: 0.9896512581487042
Energy: 0.9863092172385199
Energy: 0.9877966011144083
Energy: 1.289075081363224
Energy: 0.9877966011144083
Energy: 0.9863092172385199
Energy: 0.9877966011144083
Energy: 1.010261646327849
Energy: 1.3318044687936936
Energy: 1.4516175246891059
Energy: 1.3318044687936936
Energy: 1.010261646327849
Energy: 1.3318044687936936
Energy: 0.9845812553315083
Energy: 1.3247443344471446
Energy: 1.1769440062137364
Energy: 1.3247443344471446
Energy: 0.9845812553315083
Energy: 1.3247443344471446
Energy: 0.9865534436243065
Energy: 0.9849400685998777
Energy: 1.0371831330653092
Energy: 0.9849400685998777
Energy: 0.9865534436243065
Energy: 0.9849400685998777
Energy: 0.9862040014455451
Energy: 0.986867706750525
Energy: 1.2779634136814786
Energy: 0.986867706750525
Energy: 0.9862040014455451
Energy: 0.986867706750525
Energy: 0.985919412570904
Energy: 1.3305068971279663
Energy: 0.9869911302235748
Energy: 1.3305068971279663
Energy: 0.985919412570904
Energy: 1.3305068971288816
Energy: 0.9847521792155491
Energy: 0.9870308956205366
Energy: 0.9944642494799318
Energy: 0.9870308956214519
Energy: 0.9847521792155491
Energy: 0.9870308956205366
Energy: 1.365480801668761
Energy: 0.9870219721856861
Energy: 0.9876946562876073
Energy: 0.9870219721866015
Energy: 1.365480801668761
Energy: 0.9870219721866015
Energy: 1.365874450212918
Energy: 0.9936943833923076
Energy: 1.290651518562197
Energy: 0.9936943833923076
Energy: 1.365874450212918
Energy: 0.9936943833923076
Energy: 1.4334499876308617
Energy: 1.331913988625363
Energy: 0.9909290105394515
Energy: 1.3319139886262783
Energy: 1.4334499876299462
Energy: 1.3319139886262783
Energy: 1.4519416673046524
Energy: 1.329864281962952
Energy: 0.9940439595587582
Energy: 1.329864281962952
Energy: 1.4519416673046524
Energy: 1.329864281962952
Energy: 1.365558725066063
Energy: 1.3468369555485775
Energy: 0.9875934285776737
Energy: 1.3468369555494928
Energy: 1.3655587250669785
Energy: 1.3468369555494928
Energy: 1.365941947814794
Energy: 1.3739288917901238
Energy: 0.9869525512995823
Energy: 1.3739288917901238
Energy: 1.3659419478157093
Energy: 1.3739288917901238
Energy: 0.9852697559080026
Energy: 0.9865513102223662
Energy: 0.9912686546107832
Energy: 0.9865513102232816
Energy: 0.9852697559080026
Energy: 0.9865513102232816
Energy: 0.985150188669399
Energy: 1.3301378143713463
Energy: 0.9863099279130368
Energy: 1.3301378143713463
Energy: 0.9851501886703142
Energy: 1.3301378143713463
Energy: 0.9867405761831592
Energy: 1.3235366397232189
Energy: 0.9889178215373047
Energy: 1.3235366397232189
Energy: 0.9867405761831592
Energy: 1.3235366397232189
Energy: 0.9862064611994616
Energy: 1.3738254019222986
Energy: 1.0382917930851572
Energy: 1.3738254019222986
Energy: 0.9862064611985464
Energy: 1.3738254019222986
Energy: 0.9849881898650847
Energy: 1.3244727924429933
Energy: 1.371472897594601
Energy: 1.3244727924429933
Energy: 0.9849881898650847
Energy: 1.3244727924429933
Energy: 0.9864872043307793
Energy: 1.3300262781231365
Energy: 1.451107783399285
Energy: 1.3300262781231365
Energy: 0.9864872043307793
Energy: 1.3300262781231365
Energy: 0.9868937226984855
Energy: 1.3137468955440221
Energy: 1.2245535305919006
Energy: 1.3137468955440221
Energy: 0.9868937226984855
Energy: 1.3137468955440221
Energy: 1.0633503918869394
Energy: 0.9924275449641616
Energy: 1.0383385293720895
Energy: 0.9924275449641616
Energy: 1.0633503918869394
Energy: 0.992427544965077
Energy: 0.9850688335895414
Energy: 0.9859170317249247
Energy: 1.1762075870148174
Energy: 0.9859170317249247
Energy: 0.9850688335895414
Energy: 0.9859170317249247
Energy: 0.9969110526784783
Energy: 0.9866763590006741
Energy: 0.9860655158527242
Energy: 0.9866763589997588
Energy: 0.9969110526784783
Energy: 0.9866763589988433

minimum gb energy = 0.9844999148813318 eV
minimum distance =  2.30116628518909 Angstroms
sigma value = 57


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

Energy: 1.1597592438114583
Energy: 1.4514258985389594
Energy: 1.4923948562689344
Energy: 1.4514258985377742
Energy: 1.1597592438114583
Energy: 1.4514258985377742
Energy: 1.0798177969695253
Energy: 1.1493975466023698
Energy: 1.0724885819029366
Energy: 1.1493975466011843
Energy: 1.0798177969695253
Energy: 1.1493975466011843
Energy: 1.0808832153014356
Energy: 1.454310975151457
Energy: 1.2401705866189616
Energy: 1.454310975151457
Energy: 1.0808832153014356
Energy: 1.454310975151457
Energy: 1.076868821921748
Energy: 1.0654062750208861
Energy: 1.0719170858744906
Energy: 1.0654062750208861
Energy: 1.076868821921748
Energy: 1.0654062750208861
Energy: 1.06774849649181
Energy: 1.0875249865545467
Energy: 1.0791385551034278
Energy: 1.0875249865545467
Energy: 1.067748496490625
Energy: 1.0875249865545467
Energy: 1.0766915419449408
Energy: 1.4396929663609548
Energy: 1.0759969499465238
Energy: 1.43969296636214
Energy: 1.0766915419449408
Energy: 1.43969296636214
Energy: 1.0648244032826757
Energy: 1.065359359629387
Energy: 1.0818701835587887
Energy: 1.065359359629387
Energy: 1.0648244032826757
Energy: 1.065359359629387
Energy: 1.0755492827130575
Energy: 1.0708028403163332
Energy: 1.157451455722307
Energy: 1.0708028403175183
Energy: 1.0755492827142428
Energy: 1.0708028403175183
Energy: 1.0681536349079281
Energy: 1.1479182501736058
Energy: 1.0838462554823762
Energy: 1.1479182501736058
Energy: 1.0681536349079281
Energy: 1.1479182501736058
Energy: 1.066712305040452
Energy: 1.0642320407248176
Energy: 1.076216066274171
Energy: 1.0642320407236323
Energy: 1.066712305040452
Energy: 1.0642320407248176
Energy: 1.0640093367592314
Energy: 1.064377776689674
Energy: 1.0747475350636098
Energy: 1.0643777766884888
Energy: 1.0640093367592314
Energy: 1.064377776689674
Energy: 1.0702340796445151
Energy: 1.068275222041719
Energy: 1.0722351780812152
Energy: 1.068275222041719
Energy: 1.0702340796445151
Energy: 1.0682752220429044
Energy: 1.0684112962055616
Energy: 1.437954399484889
Energy: 1.148188256016859
Energy: 1.437954399484889
Energy: 1.0684112962055616
Energy: 1.437954399484889
Energy: 1.0689932579180448
Energy: 1.065905005812143
Energy: 1.066417540327381
Energy: 1.0659050058109578
Energy: 1.0689932579192303
Energy: 1.065905005812143
Energy: 1.0700622065989271
Energy: 1.4339600412072733
Energy: 1.0646055369036431
Energy: 1.4339600412084585
Energy: 1.0700622065989271
Energy: 1.4339600412072733
Energy: 1.069637585049447
Energy: 1.4597124278601101
Energy: 1.0725218946339226
Energy: 1.4597124278601101
Energy: 1.069637585049447
Energy: 1.4597124278601101
Energy: 1.068925070678827
Energy: 1.0680715954421738
Energy: 1.063852881847095
Energy: 1.0680715954409887
Energy: 1.068925070678827
Energy: 1.0680715954409887
Energy: 1.0669359504536646
Energy: 1.100011911601917
Energy: 1.0669446558960478
Energy: 1.100011911601917
Energy: 1.0669359504536646
Energy: 1.100011911601917
Energy: 1.063847316115383
Energy: 1.0691491498179189
Energy: 1.0689604916725108
Energy: 1.0691491498179189
Energy: 1.0638473161165682
Energy: 1.0691491498179189
Energy: 1.0724601922839254
Energy: 1.4594015649107406
Energy: 1.069637738133986
Energy: 1.4594015649107406
Energy: 1.0724601922827406
Energy: 1.4594015649107406
Energy: 1.0647116753972197
Energy: 1.4339187850732578
Energy: 1.0704967198646549
Energy: 1.4339187850732578
Energy: 1.0647116753972197
Energy: 1.4339187850744426
Energy: 1.0665429714625212
Energy: 1.2922086681513247
Energy: 1.0692447913827159
Energy: 1.2922086681513247
Energy: 1.0665429714625212
Energy: 1.2922086681513247
Energy: 1.0994528924547338
Energy: 1.4379799685553962
Energy: 1.0684150528282228
Energy: 1.4379799685553962
Energy: 1.0994528924547338
Energy: 1.4379799685553962
Energy: 1.0722426964571568
Energy: 1.067767624978428
Energy: 1.0702411910389371
Energy: 1.0677676249796133
Energy: 1.0722426964571568
Energy: 1.0677676249796133

minimum gb energy = 1.063847316115383 eV
minimum distance =  2.29756672162396 Angstroms
sigma value = 17


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

Energy: 1.160290181657242
Energy: 1.1590713743742833
Energy: 1.6906882582284473
Energy: 1.1590713743759595
Energy: 1.160290181657242
Energy: 1.1590713743759595
Energy: 1.1771064063266634
Energy: 1.1484152416775808
Energy: 1.1489616008664922
Energy: 1.1484152416775808
Energy: 1.1771064063283394
Energy: 1.1484152416775808
Energy: 1.1506023467161923
Energy: 1.1507379507853768
Energy: 1.1546825303522978
Energy: 1.1507379507853768
Energy: 1.1506023467161923
Energy: 1.1507379507853768
Energy: 1.1745423317121795
Energy: 1.1487922026558524
Energy: 1.1489531171429632
Energy: 1.1487922026558524
Energy: 1.1745423317121795
Energy: 1.1487922026558524
Energy: 1.1472495197413208
Energy: 1.1480259034305493
Energy: 1.14947206066208
Energy: 1.1480259034305493
Energy: 1.1472495197413208
Energy: 1.1480259034305493
Energy: 1.1486996313442135
Energy: 1.1592127364642464
Energy: 1.1605170549516446
Energy: 1.1592127364625704
Energy: 1.1486996313425373
Energy: 1.1592127364625704
Energy: 1.1531156121915114
Energy: 1.3242882172152148
Energy: 1.1810608603601895
Energy: 1.3242882172152148
Energy: 1.1531156121915114
Energy: 1.3242882172152148
Energy: 1.1479848029205144
Energy: 1.4367786473253703
Energy: 1.1490483513896075
Energy: 1.4367786473270463
Energy: 1.1479848029205144
Energy: 1.4367786473270463
Energy: 1.1472934415165201
Energy: 1.1476115608261659
Energy: 1.3239017980456593
Energy: 1.1476115608261659
Energy: 1.1472934415165201
Energy: 1.1476115608261659
Energy: 1.1596255584725397
Energy: 1.1314745926750898
Energy: 1.1490679923496263
Energy: 1.1314745926750898
Energy: 1.1596255584725397
Energy: 1.1314745926750898
Energy: 1.162120375723948
Energy: 1.1480380918680715
Energy: 1.1570098928267558
Energy: 1.1480380918680715
Energy: 1.162120375723948
Energy: 1.1480380918680715
Energy: 1.1474648830656988
Energy: 1.1509293382327135
Energy: 1.1544077091553493
Energy: 1.1509293382327135
Energy: 1.1474648830640228
Energy: 1.1509293382327135
Energy: 1.1474946431136286
Energy: 1.2973947418427443
Energy: 1.147794529163988
Energy: 1.2973947418427443
Energy: 1.1474946431136286
Energy: 1.2973947418427443
Energy: 1.147966161432461
Energy: 1.1480304454984642
Energy: 1.149284501400412
Energy: 1.1480304454984642
Energy: 1.147966161432461
Energy: 1.1480304454984642
Energy: 1.1527820424105066
Energy: 1.4162182162623251
Energy: 1.1597826956721302
Energy: 1.4162182162623251
Energy: 1.1527820424121829
Energy: 1.4162182162623251
Energy: 1.1539496143273027
Energy: 1.1486320389818585
Energy: 1.1604119818692813
Energy: 1.1486320389818585
Energy: 1.1539496143273027
Energy: 1.1486320389818585
Energy: 1.1575899523169868
Energy: 1.1491991868643312
Energy: 1.147857486022035
Energy: 1.1491991868643312
Energy: 1.1575899523169868
Energy: 1.1491991868643312

minimum gb energy = 1.1314745926750898 eV
minimum distance =  2.27471988930907 Angstroms
sigma value = 17


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

Energy: 1.7127462864102212
Energy: 1.5594795128236982
Energy: 1.6469916871468115
Energy: 1.5594795128243453
Energy: 1.7127462864108685
Energy: 1.5594795128243453
Energy: 1.4172223740764582
Energy: 1.1486251945145824
Energy: 1.1353900413175781
Energy: 1.1486251945145824
Energy: 1.4172223740771053
Energy: 1.1486251945145824
Energy: 1.1414534224737758
Energy: 1.238417145124585
Energy: 1.1313714166560251
Energy: 1.238417145124585
Energy: 1.1414534224737758
Energy: 1.238417145124585
Energy: 1.1461472389045586
Energy: 1.131413345259962
Energy: 1.2495172298770756
Energy: 1.1314133452593147
Energy: 1.1461472389052059
Energy: 1.1314133452606092
Energy: 1.135042693819672
Energy: 1.1866445699121344
Energy: 1.453620205011272
Energy: 1.1866445699121344
Energy: 1.135042693819672
Energy: 1.1866445699121344
Energy: 1.261825985474562
Energy: 1.139199181248294
Energy: 1.2786760695112895
Energy: 1.139199181248294
Energy: 1.261825985474562
Energy: 1.139199181248294
Energy: 1.1362977260388596
Energy: 1.260076129291403
Energy: 1.4149909957287394
Energy: 1.260076129291403
Energy: 1.1362977260395069
Energy: 1.2600761292907556
Energy: 1.3984446619102147
Energy: 1.1333969969761977
Energy: 1.1341091872660833
Energy: 1.1333969969761977
Energy: 1.3984446619095674
Energy: 1.1333969969755502
Energy: 1.2803614569829616
Energy: 1.1388410759771574
Energy: 1.1528963749787264
Energy: 1.1388410759758927
Energy: 1.2803614569829616
Energy: 1.1388410759771574
Energy: 1.3941977766946279
Energy: 1.1876796606669493
Energy: 1.1364755433627278
Energy: 1.1876796606663023
Energy: 1.3941977766933333
Energy: 1.205587723529031
Energy: 1.25108313586098
Energy: 1.3786057893620318
Energy: 1.244835789472962
Energy: 1.3786057893620318
Energy: 1.25108313586098
Energy: 1.3786057893620318
Energy: 1.1466658081931542
Energy: 1.1469311501919521
Energy: 1.1484123104709087
Energy: 1.1469311501945412
Energy: 1.146665808192507
Energy: 1.1469311501932467
Energy: 1.137872838624078
Energy: 1.135377569343117
Energy: 1.4279457610429274
Energy: 1.135377569343117
Energy: 1.137872838624078
Energy: 1.135377569343117
Energy: 1.158842554469807
Energy: 1.413449682295782
Energy: 1.6297885673507395
Energy: 1.4134496822951348
Energy: 1.158842554469807
Energy: 1.4134496822951348
Energy: 1.154076988322965
Energy: 1.386586239292708
Energy: 1.2439910661888212
Energy: 1.386586239292708
Energy: 1.1540769883236122
Energy: 1.386586239292061
Energy: 1.2506940712288739
Energy: 1.3706400529180989
Energy: 1.148885817790453
Energy: 1.3706400529180989
Energy: 1.2506940712288739
Energy: 1.4703016731946639
Energy: 1.2590031081799726
Energy: 1.1329659073747755
Energy: 1.1545177458189961
Energy: 1.1329659073754228
Energy: 1.2590031081799726
Energy: 1.1329659073747755
Energy: 1.6092373760942535
Energy: 1.421250251480755
Energy: 1.1562812561479234
Energy: 1.421250251480755
Energy: 1.6092373760948715
Energy: 1.421250251480755
Energy: 1.6086713599471272
Energy: 1.3748874510841524
Energy: 1.1398091518171392
Energy: 1.3748874510841524
Energy: 1.6086713599477742
Energy: 1.3748874510841524
Energy: 1.1459908643702252
Energy: 1.6059487902358474
Energy: 1.1459570440708435
Energy: 1.6059487902358474
Energy: 1.145990864369578
Energy: 1.6059487902358474
Energy: 1.1397788316365611
Energy: 1.3756564648850633
Energy: 1.608639661453653
Energy: 1.3756564648857106
Energy: 1.1397788316365611
Energy: 1.3756564648850633
Energy: 1.1562925934079908
Energy: 1.4212349541419296
Energy: 1.6092135234441711
Energy: 1.4212349541419296
Energy: 1.1562925934079908
Energy: 1.4212349541419296
Energy: 1.1542276588815745
Energy: 1.1324724777383925
Energy: 1.2586244569869405
Energy: 1.1324724777383925
Energy: 1.1542276588809275
Energy: 1.1324724777383925
Energy: 1.1488870166008325
Energy: 1.37076648457198
Energy: 1.2509223666343716
Energy: 1.37076648457198
Energy: 1.1488870166008325
Energy: 1.37076648457198
Energy: 1.243973888056253
Energy: 1.3861815162011841
Energy: 1.154071679746727
Energy: 1.3861815162011841
Energy: 1.2439738880569002
Energy: 1.3861815162011841
Energy: 1.67125991069188
Energy: 1.41357328822614
Energy: 1.1588456733458297
Energy: 1.41357328822614
Energy: 1.67125991069188
Energy: 1.41357328822614
Energy: 1.4275210370874982
Energy: 1.1353715487202958
Energy: 1.1376732860509557
Energy: 1.1353715487215903
Energy: 1.4275210370862037
Energy: 1.1353715487215903
Energy: 1.1484321954586814
Energy: 1.1468165652809346
Energy: 1.1465591763856153
Energy: 1.146816565274462
Energy: 1.1484321954580343
Energy: 1.1468165652802873
Energy: 1.2446528153651895
Energy: 1.378400304563632
Energy: 1.250948569362628
Energy: 1.378400304563632
Energy: 1.244652815365837
Energy: 1.378400304563632
Energy: 1.1364947398607088
Energy: 1.1876796606669493
Energy: 1.394181417858963
Energy: 1.1876796606669493
Energy: 1.1364947398607088
Energy: 1.1876796606675966
Energy: 1.152903873182042
Energy: 1.1387772680924695
Energy: 1.2803706718212737
Energy: 1.1387772680931167
Energy: 1.152903873182042
Energy: 1.1387772680931167
Energy: 1.1341121186529548
Energy: 1.1330821603592747
Energy: 1.398417535657871
Energy: 1.1330821603586274
Energy: 1.1341121186529548
Energy: 1.1330821603592747
Energy: 1.4147700683165825
Energy: 1.2600379368640262
Energy: 1.136313108390992
Energy: 1.2600379368646735
Energy: 1.41477006831723
Energy: 1.2600379368640262
Energy: 1.278705524656117
Energy: 1.1386931796822193
Energy: 1.262354239147944
Energy: 1.1386931796828665
Energy: 1.278705524656117
Energy: 1.1386931796828665
Energy: 1.4537597489236072
Energy: 1.1866445699127817
Energy: 1.1350392296655833
Energy: 1.1866445699127817
Energy: 1.4537597489242544
Energy: 1.1866445699127817
Energy: 1.2496867663090903
Energy: 1.1313196299789319
Energy: 1.1462884959440907
Energy: 1.1313196299789319
Energy: 1.2496867663090903
Energy: 1.1313196299782848
Energy: 1.1314165274013863
Energy: 1.2384047344068192
Energy: 1.1414615995001338
Energy: 1.2384047344068192
Energy: 1.1314165274013863
Energy: 1.2384047344068192
Energy: 1.1353904584945955
Energy: 1.148624963312177
Energy: 1.4170926627441545
Energy: 1.1486249633128243
Energy: 1.1353904584945955
Energy: 1.1486249633134717
Energy: 1.2598961690391597
Energy: 1.5594795128243453
Energy: 1.7127462864108685
Energy: 1.5594795128243453
Energy: 1.2598961690320403
Energy: 1.5594795128243453
Energy: 1.1353900413175781
Energy: 1.1486251945152297
Energy: 1.4172223740764582
Energy: 1.1486251945152297
Energy: 1.1353900413175781
Energy: 1.1486251945152297
Energy: 1.1313714166566722
Energy: 1.238417145124585
Energy: 1.141453422474423
Energy: 1.2384171451239376
Energy: 1.131371416653436
Energy: 1.2384171451239376
Energy: 1.249517229875781
Energy: 1.1314133452606092
Energy: 1.1461472389032645
Energy: 1.1314133452593147
Energy: 1.249517229875781
Energy: 1.131413345259962
Energy: 1.4536202050099774
Energy: 1.1866445699121344
Energy: 1.1350426938203193
Energy: 1.1866445699121344
Energy: 1.4536202050106248
Energy: 1.1866445699121344

minimum gb energy = 1.1313196299782848 eV
minimum distance =  2.25883833136377 Angstroms
sigma value = 57


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

Energy: 1.30370987254085
Energy: 1.106050473798255
Energy: 1.6632921034006507
Energy: 1.106050473798255
Energy: 1.303709872539796
Energy: 1.1060504737950936
Energy: 1.2358444347575825
Energy: 1.1147877676838882
Energy: 1.1151763395589447
Energy: 1.1147877676828344
Energy: 1.2358444347565287
Energy: 1.1147877676828344
Energy: 1.105342521977368
Energy: 1.2713135689045472
Energy: 1.114925895061457
Energy: 1.271313568906655
Energy: 1.105342521977368
Energy: 1.271313568906655
Energy: 1.3191017627537889
Energy: 1.2666111608526112
Energy: 1.2667119301412677
Energy: 1.2666111608515573
Energy: 1.3191017627537889
Energy: 1.2666111608515573
Energy: 1.1082322376286016
Energy: 1.1747552913404835
Energy: 1.3188893714256456
Energy: 1.1747552913394295
Energy: 1.1082322376286016
Energy: 1.1747552913404835
Energy: 1.2812980695105887
Energy: 1.2666402444804512
Energy: 1.266829823059578
Energy: 1.2666402444804512
Energy: 1.2812980695095348
Energy: 1.2666402444804512
Energy: 1.108267179259572
Energy: 1.2803854970708326
Energy: 1.119464277391205
Energy: 1.2803854970739943
Energy: 1.1082671792606258
Energy: 1.2803854970739943
Energy: 1.1067850913132056
Energy: 1.1861622754731935
Energy: 1.1151394472483387
Energy: 1.1861622754731935
Energy: 1.1067850913153132
Energy: 1.1861622754731935
Energy: 1.305507799255855
Energy: 1.1055618364456758
Energy: 1.1202701956238816
Energy: 1.1055618364456758
Energy: 1.305507799255855
Energy: 1.1055618364456758
Energy: 1.2169588897366987
Energy: 1.1166728979819267
Energy: 1.1204533108692623
Energy: 1.1166728979840344
Energy: 1.2169588897366987
Energy: 1.1166728979829805
Energy: 1.1083869872086014
Energy: 1.1065936365418783
Energy: 1.2680048723725201
Energy: 1.1065936365429323
Energy: 1.1083869872086014
Energy: 1.106593636543986
Energy: 1.1908244215160368
Energy: 1.268147944723654
Energy: 1.2703460813069012
Energy: 1.268147944725762
Energy: 1.190824421514983
Energy: 1.268147944725762
Energy: 1.1141724288114576
Energy: 1.2708849830203441
Energy: 1.2679515680764948
Energy: 1.2708849830192903
Energy: 1.1141724288114576
Energy: 1.2708849830192903
Energy: 1.280724529675984
Energy: 1.3058975619094009
Energy: 1.2704026169185048
Energy: 1.3058975619115087
Energy: 1.280724529677038
Energy: 1.3058975619125623
Energy: 1.1168540131907696
Energy: 1.2822047197102908
Energy: 1.1219039910385786
Energy: 1.2822047197092368
Energy: 1.1168540131918236
Energy: 1.2822047197092368
Energy: 1.1076432682492787
Energy: 1.18756923651242
Energy: 1.1206100425031187
Energy: 1.18756923651242
Energy: 1.1076432682492787
Energy: 1.1875692365113661
Energy: 1.3123600975583503
Energy: 1.2566953834290537
Energy: 1.127251216444852
Energy: 1.2566953834311614
Energy: 1.3123600975572967
Energy: 1.2566953834332688
Energy: 1.2803911732058766
Energy: 1.262318330838792
Energy: 1.1231132474028183
Energy: 1.262318330836684
Energy: 1.2803911732048228
Energy: 1.262318330836684
Energy: 1.117284442053727
Energy: 1.1098560997637994
Energy: 1.279542277577437
Energy: 1.1098560997627456
Energy: 1.117284442053727
Energy: 1.1098560997637994
Energy: 1.2693773541096556
Energy: 1.2598883747229777
Energy: 1.2784348195625834
Energy: 1.2598883747240315
Energy: 1.2693773541096556
Energy: 1.2598883747229777
Energy: 1.114117767367398
Energy: 1.2607639017395167
Energy: 1.2673706032086975
Energy: 1.260763901737409
Energy: 1.1141177673684521
Energy: 1.2607639017405707
Energy: 1.1231337301252484
Energy: 1.1065297405985663
Energy: 1.278875818052762
Energy: 1.1065297405975125
Energy: 1.1231337301241944
Energy: 1.1065297405975125
Energy: 1.1179512706120893
Energy: 1.2729923501455858
Energy: 1.1278927861320178
Energy: 1.2729923501466394
Energy: 1.1179512706120893
Energy: 1.2729923501466394
Energy: 1.3178069167131732
Energy: 1.2639794701937708
Energy: 1.1216961306412057
Energy: 1.2639794701948246
Energy: 1.3178069167131732
Energy: 1.2639794701948246
Energy: 1.3041350976770936
Energy: 1.254938947368012
Energy: 1.1255535531776204
Energy: 1.2549389473690655
Energy: 1.3041350976770936
Energy: 1.2549389473690655
Energy: 1.1228833898545931
Energy: 1.2836250443136645
Energy: 1.1270379751824016
Energy: 1.2836250443147184
Energy: 1.1228833898545931
Energy: 1.2836250443147184
Energy: 1.1180327582081784
Energy: 1.1072423809478709
Energy: 1.2740783584405693
Energy: 1.1072423809478709
Energy: 1.1180327582092324
Energy: 1.1072423809478709

minimum gb energy = 1.105342521977368 eV
minimum distance =  2.30268884284269 Angstroms
sigma value = 43


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

Energy: 1.3628685825151339
Energy: 1.1789410071629578
Energy: 1.7195318411303686
Energy: 1.1789410071629578
Energy: 1.3628685825151339
Energy: 1.1789410071637256
Energy: 1.233044168827192
Energy: 1.175327009753811
Energy: 1.1580720937778928
Energy: 1.175327009753811
Energy: 1.233044168827192
Energy: 1.175327009753811
Energy: 1.157421878612982
Energy: 1.3105030292711641
Energy: 1.1580693477508786
Energy: 1.3105030292711641
Energy: 1.157421878612982
Energy: 1.3105030292711641
Energy: 1.3680981008338913
Energy: 1.1574468828314919
Energy: 1.3080594023465726
Energy: 1.157446882830724
Energy: 1.368098100834659
Energy: 1.157446882830724
Energy: 1.1568940324133101
Energy: 1.232931523421886
Energy: 1.2782574591418205
Energy: 1.2329315234211182
Energy: 1.1568940324133101
Energy: 1.2329315234211182
Energy: 1.2905006697810104
Energy: 1.2896487501865448
Energy: 1.178727828908237
Energy: 1.2896487501873124
Energy: 1.2905006697802424
Energy: 1.2896487501873124
Energy: 1.1803759771448321
Energy: 1.2901217612429172
Energy: 1.1759635925722536
Energy: 1.2901217612429172
Energy: 1.1803759771448321
Energy: 1.2901217612429172
Energy: 1.3006327073992399
Energy: 1.2330763491362244
Energy: 1.1563087417875177
Energy: 1.2330763491362244
Energy: 1.3006327073992399
Energy: 1.2330763491362244
Energy: 1.3091323020794512
Energy: 1.157333708958084
Energy: 1.3128082927784333
Energy: 1.157333708958084
Energy: 1.3091323020794512
Energy: 1.157333708958084
Energy: 1.3994703129247703
Energy: 1.3115862933849545
Energy: 1.1619171374862278
Energy: 1.3115862933849545
Energy: 1.3994703129247703
Energy: 1.3115862933849545
Energy: 1.1596602957141862
Energy: 1.2285103236999286
Energy: 1.531399515643172
Energy: 1.2285103236999286
Energy: 1.1596602957141862
Energy: 1.2285103236999286
Energy: 1.175720995458171
Energy: 1.1788411751611527
Energy: 1.3663809524311024
Energy: 1.1788411751611527
Energy: 1.175720995458171
Energy: 1.178841175160385
Energy: 1.1578868580373551
Energy: 1.1759838490669843
Energy: 1.306268269653263
Energy: 1.1759838490669843
Energy: 1.1578868580373551
Energy: 1.1759838490669843
Energy: 1.3082277538727483
Energy: 1.1574088118446504
Energy: 1.161508140221966
Energy: 1.1574088118446504
Energy: 1.3082277538727483
Energy: 1.1574088118446504
Energy: 1.3137422786879813
Energy: 1.1581032058472833
Energy: 1.1733232655609223
Energy: 1.1581032058472833
Energy: 1.313742278688749
Energy: 1.1581032058465153
Energy: 1.2910999954666393
Energy: 1.3069587089068904
Energy: 1.1551354317578284
Energy: 1.3069587089068904
Energy: 1.2910999954666393
Energy: 1.3069587089068904
Energy: 1.178020549508126
Energy: 1.178473000515086
Energy: 1.291393110241021
Energy: 1.178473000515086
Energy: 1.178020549508894
Energy: 1.178473000515086
Energy: 1.1780926790957116
Energy: 1.2922317761249795
Energy: 1.1778664698288752
Energy: 1.2922317761249795
Energy: 1.1780926790957116
Energy: 1.2922317761249795
Energy: 1.1731267395725844
Energy: 1.1765214792941392
Energy: 1.3079772902548037
Energy: 1.1765214792933711
Energy: 1.1731267395725844
Energy: 1.1765214792933711
Energy: 1.1573806918946186
Energy: 1.289446778145216
Energy: 1.3081609036513926
Energy: 1.289446778144448
Energy: 1.1573806918946186
Energy: 1.289446778144448
Energy: 1.1574032891709514
Energy: 1.3132295247855552
Energy: 1.175119220180804
Energy: 1.3132295247855552
Energy: 1.1574032891709514
Energy: 1.3132295247855552
Energy: 1.6903533508132094
Energy: 1.1637451516261077
Energy: 1.1578062384183043
Energy: 1.1637451516268758
Energy: 1.6903533508124418
Energy: 1.1637451516268758
Energy: 1.803095519858122
Energy: 1.156072521079983
Energy: 1.1748402280310517
Energy: 1.156072521079983
Energy: 1.803095519858122
Energy: 1.156072521079215
Energy: 1.1570751404627473
Energy: 1.3023028533192913
Energy: 1.174684347948826
Energy: 1.3023028533192913
Energy: 1.1570751404627473
Energy: 1.3023028533192913
Energy: 1.157616371186619
Energy: 1.3006524942885487
Energy: 1.3085228537849303
Energy: 1.3006524942885487
Energy: 1.1576163711881549
Energy: 1.3006524942885487
Energy: 1.1727995847722308
Energy: 1.332219190097802
Energy: 1.3079242221348883
Energy: 1.3322191900985698
Energy: 1.1727995847722308
Energy: 1.3322191900985698
Energy: 1.175340128535979
Energy: 1.4975883608893632
Energy: 1.29030767453229
Energy: 1.4975883608893632
Energy: 1.1753401285367466
Energy: 1.4975883608893632
Energy: 1.290530324574732
Energy: 1.277044754708035
Energy: 1.2904971494848425
Energy: 1.277044754708035
Energy: 1.290530324574732
Energy: 1.277044754708035
Energy: 1.2903009551434546
Energy: 1.4975909827308778
Energy: 1.1754007991346642
Energy: 1.49759098273011
Energy: 1.2903009551434546
Energy: 1.4975909827308778
Energy: 1.3079746430111379
Energy: 1.3321386586728643
Energy: 1.172757984825606
Energy: 1.3321386586728643
Energy: 1.30797464301037
Energy: 1.3321386586728643
Energy: 1.3082988706745866
Energy: 1.2943221860271612
Energy: 1.1574639092785104
Energy: 1.2943221860286969
Energy: 1.3082988706738188
Energy: 1.2943221860263934
Energy: 1.1746673190887793
Energy: 1.302276413436509
Energy: 1.1570722615090654
Energy: 1.302276413436509
Energy: 1.1746673190880117
Energy: 1.302276413436509
Energy: 1.1748350548818345
Energy: 1.1560567500431114
Energy: 1.8031462925697928
Energy: 1.1560567500431114
Energy: 1.1748350548826025
Energy: 1.1560567500431114
Energy: 1.1580648717517745
Energy: 1.1639054922698429
Energy: 1.6904302074837012
Energy: 1.1639054922683072
Energy: 1.1580648717517745
Energy: 1.1639054922698429
Energy: 1.1751270543773036
Energy: 1.3135564362328227
Energy: 1.157357765227026
Energy: 1.3135564362328227
Energy: 1.1751270543773036
Energy: 1.3135564362320549
Energy: 1.3081775209824924
Energy: 1.2892317977183663
Energy: 1.1573552301282544
Energy: 1.2892317977175984
Energy: 1.3081775209824924
Energy: 1.2892317977175984

minimum gb energy = 1.1551354317578284 eV
minimum distance =  2.28488230792703 Angstroms
sigma value = 81


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

Energy: 1.1970242016521195
Energy: 1.1980048939013768
Energy: 2.0715486883410428
Energy: 1.1980048939016654
Energy: 1.1970242016521195
Energy: 1.1980048939013768
Energy: 1.1984611404941528
Energy: 1.1979433246756972
Energy: 1.1970477092964837
Energy: 1.1979433246754407
Energy: 1.1984611404941528
Energy: 1.1979433246751523
Energy: 1.1970458154950239
Energy: 1.197946469900882
Energy: 1.1980578336440464
Energy: 1.197946469900882
Energy: 1.1970458154952806
Energy: 1.197946469900882
Energy: 2.0715486883413314
Energy: 1.198004893901088
Energy: 1.1970242016521195
Energy: 1.1980048939013768
Energy: 2.0715486883413314
Energy: 1.1980048939013768
Energy: 1.1970477092967404
Energy: 1.1979433246754407
Energy: 1.1984611404946979
Energy: 1.1979433246759856
Energy: 1.1970477092967404
Energy: 1.1979433246756972
Energy: 1.1980578336440464
Energy: 1.197946469900882
Energy: 1.1970458154950239
Energy: 1.197946469900882
Energy: 1.198057833643469
Energy: 1.197946469900882
Energy: 1.1970242016521195
Energy: 1.1980048939013768
Energy: 2.0715486883410428
Energy: 1.198004893901088
Energy: 1.1970242016521195
Energy: 1.1980048939013768
Energy: 1.1984611404941528
Energy: 1.1979433246754407
Energy: 1.1970477092964837
Energy: 1.1979433246754407
Energy: 1.1984611404944092
Energy: 1.1979433246754407
Energy: 1.1970458154950239
Energy: 1.197946469900882
Energy: 1.1980578336451684
Energy: 1.1979464699011706
Energy: 1.1970458154952806
Energy: 1.197946469900882
Energy: 2.0715486883413314
Energy: 1.1980048939013768
Energy: 1.1970242016521195
Energy: 1.1980048939013768
Energy: 2.071548688341588
Energy: 1.198004893901088

minimum gb energy = 1.1970242016521195 eV
minimum distance =  2.25712763771487 Angstroms
sigma value = 3


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

Energy: 1.6375624786027871
Energy: 1.184237808446433
Energy: 1.6381368473645634
Energy: 1.184237808446433
Energy: 1.637562478601943
Energy: 1.1842378084455887
Energy: 1.1542923708569133
Energy: 1.1657735808556098
Energy: 1.1406377034574193
Energy: 1.1657735808556098
Energy: 1.1542923708569133
Energy: 1.1657735808556098
Energy: 1.1492153526686573
Energy: 1.1494089370812033
Energy: 1.129790895475339
Energy: 1.1494089370828917
Energy: 1.1492153526686573
Energy: 1.1494089370828917
Energy: 1.147477358300127
Energy: 1.3859577629808886
Energy: 1.3127316124190767
Energy: 1.3859577629808886
Energy: 1.1474773582975941
Energy: 1.3859577629808886
Energy: 1.277541981438951
Energy: 1.1555278470931325
Energy: 1.1403615340953834
Energy: 1.155527847093977
Energy: 1.2775419814397955
Energy: 1.1555278470931325
Energy: 1.3714730732040918
Energy: 1.193860276933743
Energy: 1.129109492566135
Energy: 1.193860276933743
Energy: 1.3714730732040918
Energy: 1.193860276933743
Energy: 1.2775285034440151
Energy: 1.1565753330584654
Energy: 1.16603437652339
Energy: 1.1565753330576212
Energy: 1.2775285034431707
Energy: 1.1565753330584654
Energy: 1.1561488317342765
Energy: 1.5623939817329837
Energy: 1.3132285202415979
Energy: 1.5623939817321395
Energy: 1.1561488317334325
Energy: 1.5623939817321395
Energy: 1.148866344931249
Energy: 1.1479862334725857
Energy: 1.3358472883042891
Energy: 1.1479862334717414
Energy: 1.1488663449304048
Energy: 1.1479862334708972
Energy: 1.1494356451828514
Energy: 1.1666659849136696
Energy: 1.143708205605453
Energy: 1.1666659849136696
Energy: 1.1494356451828514
Energy: 1.1666659849136696
Energy: 1.6160163710569682
Energy: 1.126894394742332
Energy: 1.1669469678123008
Energy: 1.1268943947414878
Energy: 1.6160163710569682
Energy: 1.1268943947414878
Energy: 1.617857290003467
Energy: 1.1411410289385548
Energy: 1.1399692490043616
Energy: 1.1411410289368664
Energy: 1.617857290003467
Energy: 1.1411410289377109
Energy: 1.1490085239078092
Energy: 1.3412583423447981
Energy: 1.1402978415385245
Energy: 1.3412583423431097
Energy: 1.1490085239078092
Energy: 1.3412583423431097
Energy: 1.1514700760802483
Energy: 1.259273006439666
Energy: 1.3125873263474042
Energy: 1.259273006439666
Energy: 1.1514700760810923
Energy: 1.2592730064405102
Energy: 1.2774897688220728
Energy: 1.248997132953147
Energy: 1.3119713587212682
Energy: 1.248997132953147
Energy: 1.2774897688220728
Energy: 1.248997132953147
Energy: 1.2774861962723743
Energy: 1.167413168323537
Energy: 1.1269348401922445
Energy: 1.167413168323537
Energy: 1.2774861962723743
Energy: 1.167413168324381
Energy: 1.2775846012117458
Energy: 1.1672180489214072
Energy: 1.1273936920050944
Energy: 1.1672180489205628
Energy: 1.27758460121259
Energy: 1.1672180489205628
Energy: 1.2772569028899028
Energy: 1.2796703663294264
Energy: 1.311757770135736
Energy: 1.2796703663285822
Energy: 1.2772569028899028
Energy: 1.2796703663285822
Energy: 1.1494069475022632
Energy: 1.156637187377412
Energy: 1.31216341057971
Energy: 1.156637187377412
Energy: 1.1494069475022632
Energy: 1.156637187376568
Energy: 1.149423581175234
Energy: 1.3328255051461417
Energy: 1.1400833102000172
Energy: 1.332825505146986
Energy: 1.149423581175234
Energy: 1.332825505146986
Energy: 1.528228526707272
Energy: 1.2629315221479167
Energy: 1.1402512689288247
Energy: 1.2629315221479167
Energy: 1.528228526707272
Energy: 1.2629315221470723
Energy: 1.5299333332430156
Energy: 1.2891947582479628
Energy: 1.2913636229270193
Energy: 1.2891947582479628
Energy: 1.52993333324386
Energy: 1.2891947582479628
Energy: 1.1495587056526937
Energy: 1.3134979619661586
Energy: 1.1401101436964582
Energy: 1.3134979619653142
Energy: 1.149558705653538
Energy: 1.31349796196447
Energy: 1.1496235936110732
Energy: 1.1494317713815154
Energy: 1.3826988010534207
Energy: 1.1494317713815154
Energy: 1.1496235936110732
Energy: 1.1494317713815154
Energy: 1.1573626135689572
Energy: 1.281504811235145
Energy: 1.3152323073795422
Energy: 1.281504811235145
Energy: 1.1573626135681132
Energy: 1.281504811235145
Energy: 1.2781262153331885
Energy: 1.167763315966434
Energy: 1.194106778926001
Energy: 1.167763315966434
Energy: 1.2781262153331885
Energy: 1.1677633159655896
Energy: 1.2777813503792683
Energy: 1.1666640967975155
Energy: 1.1280324945172335
Energy: 1.1666640967983595
Energy: 1.2777813503792683
Energy: 1.1666640967983595
Energy: 1.2779696632362596
Energy: 1.252436012891738
Energy: 1.1415679325122834
Energy: 1.252436012890894
Energy: 1.2779696632362596
Energy: 1.252436012890894
Energy: 1.1953550933681072
Energy: 1.1405579239902268
Energy: 1.31238225397964
Energy: 1.1405579239910713
Energy: 1.1953550933689514
Energy: 1.1405579239910713
Energy: 1.1505650676351276
Energy: 1.149094557033384
Energy: 1.3563708120680393
Energy: 1.1490945570325397
Energy: 1.1505650676351276
Energy: 1.1490945570325397
Energy: 1.1606631415880009
Energy: 1.1668549724073949
Energy: 1.1425113159801663
Energy: 1.1668549724073949
Energy: 1.1606631415871567
Energy: 1.1668549724082393
Energy: 1.613450625490637
Energy: 1.27811633866578
Energy: 1.1650179365206148
Energy: 1.27811633866578
Energy: 1.613450625490637
Energy: 1.278116338664936
Energy: 1.1553756429353934
Energy: 1.1661414405075492
Energy: 1.1403932646576362
Energy: 1.1661414405083934
Energy: 1.1553756429362378
Energy: 1.1661414405092378

minimum gb energy = 1.1268943947414878 eV
minimum distance =  2.24752545915671 Angstroms
sigma value = 67


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

Energy: 1.3302597708712451
Energy: 1.181206179971494
Energy: 1.6079465825640602
Energy: 1.1812061799726972
Energy: 1.3302597708712451
Energy: 1.181206179971494
Energy: 1.146372369561979
Energy: 1.1007175629257748
Energy: 1.1073224556866428
Energy: 1.1007175629269779
Energy: 1.146372369561979
Energy: 1.1007175629257748
Energy: 1.101102247036546
Energy: 1.1711353183355153
Energy: 1.0909263934079982
Energy: 1.1711353183367181
Energy: 1.101102247036546
Energy: 1.1711353183367181
Energy: 1.3452590193383662
Energy: 1.1719512414758213
Energy: 1.2569286138239812
Energy: 1.1719512414722673
Energy: 1.3452590193335543
Energy: 1.1719512414722673
Energy: 1.2555837328863788
Energy: 1.1674442496703796
Energy: 1.1376032571843098
Energy: 1.1674442496715824
Energy: 1.2555837328863788
Energy: 1.1674442496703796
Energy: 1.255516471065036
Energy: 1.1002739929556153
Energy: 1.0912867666139956
Energy: 1.1002739929556153
Energy: 1.255516471065036
Energy: 1.1002739929556153
Energy: 1.2550222142414
Energy: 1.0999546847654913
Energy: 1.1008076437737988
Energy: 1.0999546847654913
Energy: 1.2550222142414
Energy: 1.099954684764288
Energy: 1.2526808106339968
Energy: 1.4408149087196698
Energy: 1.6646411098176055
Energy: 1.4408149087196698
Energy: 1.2526808106339968
Energy: 1.440814908718467
Energy: 1.2578606414298144
Energy: 1.100745521679732
Energy: 1.6552959043427018
Energy: 1.1007455216785287
Energy: 1.2578606414298144
Energy: 1.1007455216785287
Energy: 1.260770289847303
Energy: 1.100364563809494
Energy: 1.1043677291468281
Energy: 1.100364563809494
Energy: 1.260770289847303
Energy: 1.100364563809494
Energy: 1.2592275519982676
Energy: 1.1008446335570963
Energy: 1.1027468169476424
Energy: 1.1008446335570963
Energy: 1.2592275519982676
Energy: 1.1008446335570963
Energy: 1.2553427248794802
Energy: 1.1648600761536867
Energy: 1.2559936709129405
Energy: 1.1648600761548897
Energy: 1.2553427248782774
Energy: 1.1648600761548897
Energy: 1.101512302177004
Energy: 1.1016360887738152
Energy: 1.259033645367084
Energy: 1.1016360887750185
Energy: 1.101512302177004
Energy: 1.1016360887750185
Energy: 1.1064955636915434
Energy: 1.1048858106092438
Energy: 1.2563153371606577
Energy: 1.1048858106092438
Energy: 1.1064955636915434
Energy: 1.104885810608041
Energy: 1.5943093104079047
Energy: 1.3033839164200185
Energy: 1.257710301350661
Energy: 1.3033839164188157
Energy: 1.5943093104079047
Energy: 1.3033839164188157
Energy: 1.3374769628132763
Energy: 1.335550174750841
Energy: 1.2530973801973024
Energy: 1.3355501747496379
Energy: 1.3374769627880136
Energy: 1.335550174750841
Energy: 1.101519968659426
Energy: 1.0999609381159414
Energy: 1.0938167051204104
Energy: 1.0999609381135353
Energy: 1.101519968659426
Energy: 1.0999609381147384
Energy: 1.0936965770162441
Energy: 1.1001995835081222
Energy: 1.2557069694557808
Energy: 1.1001995835081222
Energy: 1.0936965770162441
Energy: 1.1001995835081222
Energy: 1.137539661119015
Energy: 1.1727095918961299
Energy: 1.2555108525159449
Energy: 1.172709591897333
Energy: 1.137539661119015
Energy: 1.1727095918949266
Energy: 1.2572037902345161
Energy: 1.1021147598789596
Energy: 1.3398478599780668
Energy: 1.1021147598789596
Energy: 1.2572037902345161
Energy: 1.1021147598789596
Energy: 1.0911671924241373
Energy: 1.1367951337795101
Energy: 1.0855290607929036
Energy: 1.1367951337807132
Energy: 1.0911671926273323
Energy: 1.1367951337807132
Energy: 1.109101362782389
Energy: 1.1008454842572457
Energy: 1.3204618850468768
Energy: 1.1008454842584487
Energy: 1.109101362782389
Energy: 1.1008454842584487
Energy: 1.3582700115604118
Energy: 1.0900579887363968
Energy: 1.1484888181154778
Energy: 1.0900579886847235
Energy: 1.3582700115604118
Energy: 1.0900579885825241

minimum gb energy = 1.0855290607929036 eV
minimum distance =  2.27128076165997 Angstroms
sigma value = 33


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

Energy: 1.4442297144770404
Energy: 1.0671169251436707
Energy: 1.6122398186170772
Energy: 1.0671169251429078
Energy: 1.444229714476277
Energy: 1.0671169251429078
Energy: 1.4921451603975808
Energy: 1.047660230443031
Energy: 1.0264812809019002
Energy: 1.047660230443031
Energy: 1.4921451603968174
Energy: 1.047660230443031
Energy: 1.0304435466638573
Energy: 1.1075848574757055
Energy: 1.4919311180185355
Energy: 1.1075848574757055
Energy: 1.0304435466638573
Energy: 1.1075848574757055
Energy: 1.107690714637697
Energy: 1.0265389762384365
Energy: 1.0429636624736738
Energy: 1.0265389762376733
Energy: 1.107690714636934
Energy: 1.0265389762384365
Energy: 1.3790114455436864
Energy: 1.0273245396256283
Energy: 1.3567920373804319
Energy: 1.0273245396256283
Energy: 1.3790114455436864
Energy: 1.0273245396256283
Energy: 1.378972419465841
Energy: 1.0486281125079613
Energy: 1.034161359685542
Energy: 1.0486281125079613
Energy: 1.378972419465841
Energy: 1.0486281125079613
Energy: 1.0311590295443431
Energy: 1.047738826050904
Energy: 1.0549513084259412
Energy: 1.0477388260516671
Energy: 1.0311590295443431
Energy: 1.047738826050904
Energy: 1.049470780135853
Energy: 1.0263587121670301
Energy: 1.3808466353717659
Energy: 1.0263587121685562
Energy: 1.049470780135853
Energy: 1.0263587121677933
Energy: 1.358085941778603
Energy: 1.287050737153394
Energy: 1.3809694015970266
Energy: 1.287050737153394
Energy: 1.358085941778603
Energy: 1.287050737153394
Energy: 1.0454377998247506
Energy: 1.045980555569335
Energy: 1.033538448366446
Energy: 1.0459805555685715
Energy: 1.0454377998247506
Energy: 1.0459805555685715
Energy: 1.029057009904414
Energy: 1.0490718058373647
Energy: 1.0521122783208645
Energy: 1.0490718058380935
Energy: 1.029057009904414
Energy: 1.0490718058373647
Energy: 1.0298603157090331
Energy: 1.1084193741331685
Energy: 1.4943381295928835
Energy: 1.1084193741331685
Energy: 1.02986031570827
Energy: 1.1084193741331685
Energy: 1.3787229225326751
Energy: 1.4905420570077692
Energy: 1.4265350096221434
Energy: 1.4905420570085324
Energy: 1.3787229225319122
Energy: 1.4905420570077692
Energy: 1.0268322775298946
Energy: 1.0486719933789872
Energy: 1.035056037826291
Energy: 1.048671993378224
Energy: 1.0268322775298946
Energy: 1.0486719933789872
Energy: 1.4026431908634933
Energy: 1.1073937959265432
Energy: 1.027351729527311
Energy: 1.1073937959265432
Energy: 1.4026431908634933
Energy: 1.1073937959265432
Energy: 1.0427375493285576
Energy: 1.0265032555300555
Energy: 1.4993404433727244
Energy: 1.0265032555300555
Energy: 1.0427375493285576
Energy: 1.0265032555292926
Energy: 1.5416716839948508
Energy: 1.0506203014268987
Energy: 1.3907263874951585
Energy: 1.0506203014268987
Energy: 1.5416716839956142
Energy: 1.0506203014268987
Energy: 1.0281611592315343
Energy: 1.04735317568582
Energy: 1.2888986463851657
Energy: 1.04735317568582
Energy: 1.028161159230771
Energy: 1.04735317568582
Energy: 1.1934256567443577
Energy: 1.047424365428927
Energy: 1.027480730149281
Energy: 1.047424365428927
Energy: 1.193425656745121
Energy: 1.047424365428927
Energy: 1.374306562624555
Energy: 1.0275804579979484
Energy: 1.0478326699576324
Energy: 1.0275804579979484
Energy: 1.374306562624555
Energy: 1.0275804579987116
Energy: 1.5143269162124111
Energy: 1.2806404177806174
Energy: 1.0436133894651876
Energy: 1.2806404177813806
Energy: 1.5143269162131743
Energy: 1.2806404177821438
Energy: 1.0285503474916684
Energy: 1.0480346196042234
Energy: 1.3566012728808077
Energy: 1.0480346196034604
Energy: 1.0285503474916684
Energy: 1.0480346196042234
Energy: 1.0557889790733446
Energy: 1.0491088348950293
Energy: 1.0280188127254901
Energy: 1.0491088348942663
Energy: 1.055788979074108
Energy: 1.0491088348942663
Energy: 1.4230708566522516
Energy: 1.1111510196437924
Energy: 1.027117015508193
Energy: 1.1111510196437924
Energy: 1.423070856651523
Energy: 1.1111510196460819
Energy: 1.6896128914319675
Energy: 1.1074626966203855
Energy: 1.0338936675189865
Energy: 1.1074626966211487
Energy: 1.6896128914312043
Energy: 1.1074626966211487
Energy: 1.0540423190043509
Energy: 1.3837013122413366
Energy: 1.0304125540883382
Energy: 1.3837013122420996
Energy: 1.0540423190043509
Energy: 1.3837013122420996
Energy: 1.0304170755534396
Energy: 1.0485227140276459
Energy: 1.358523299514429
Energy: 1.0485227140276459
Energy: 1.0304170755534396
Energy: 1.0485227140268827
Energy: 1.3790500821116367
Energy: 1.2707204954360276
Energy: 1.045402465466718
Energy: 1.270720495437554
Energy: 1.3790500821108735
Energy: 1.270720495437554
Energy: 1.384759064275473
Energy: 1.02690208687538
Energy: 1.048941279700488
Energy: 1.0269020868746166
Energy: 1.384759064275473
Energy: 1.02690208687538
Energy: 1.0496779460339138
Energy: 1.047349336155981
Energy: 1.028500435773357
Energy: 1.0473493361552175
Energy: 1.0496779460339138
Energy: 1.047349336155981
Energy: 1.030409019169019
Energy: 1.261410733870408
Energy: 1.4911057067650935
Energy: 1.2614107338696448
Energy: 1.0304090191697821
Energy: 1.2614107338696448
Energy: 1.3587182279890049
Energy: 1.050717015796743
Energy: 1.4121007820821834
Energy: 1.0507170157975059
Energy: 1.3587182279882415
Energy: 1.0507170157975059
Energy: 1.0424674624095702
Energy: 1.0280849189074446
Energy: 1.4535392868452859
Energy: 1.0280849189082077
Energy: 1.042467462408807
Energy: 1.0280849189082077
Energy: 1.2882955452117149
Energy: 1.1072981677104357
Energy: 1.0281257427690267
Energy: 1.1072981677104357
Energy: 1.2882955452117149
Energy: 1.1072981677104357
Energy: 1.0264392343547737
Energy: 1.0476306604607954
Energy: 1.2826999109688773
Energy: 1.0476306604600323
Energy: 1.0264392343547737
Energy: 1.0476306604607954
Energy: 1.3789842790003735
Energy: 1.0669419379527396
Energy: 1.4202517763758498
Energy: 1.0669419379519764
Energy: 1.3789842790003735
Energy: 1.0669419379519764
Energy: 1.0274077003596527
Energy: 1.109003914317744
Energy: 1.492639332839796
Energy: 1.109003914317744
Energy: 1.0274077003596527
Energy: 1.1090039143169808

minimum gb energy = 1.0263587121670301 eV
minimum distance =  2.26581032023295 Angstroms
sigma value = 41


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

Energy: 0.8889132695613384
Energy: 0.8626359148708219
Energy: 1.7681226077205225
Energy: 0.8626359148708219
Energy: 0.8889132695592549
Energy: 0.8626359148708219
Energy: 1.5223399163323361
Energy: 0.8612729627228227
Energy: 0.8627673696115089
Energy: 0.8612729627207392
Energy: 1.5223399163323361
Energy: 0.8612729627207392
Energy: 0.8891872056523821
Energy: 1.0948592279986484
Energy: 0.86544096081559
Energy: 1.0948592279986484
Energy: 0.8891872056523821
Energy: 1.0948592279986484
Energy: 1.5901720599601004
Energy: 0.8614622335362982
Energy: 0.8628608522043046
Energy: 0.8614622335383819
Energy: 1.5901720599601004
Energy: 0.8614622335383819
Energy: 0.8892540085454549
Energy: 0.861354371669481
Energy: 0.8642420454684892
Energy: 0.861354371669481
Energy: 0.8892540085454549
Energy: 0.861354371669481
Energy: 0.8884045863937132
Energy: 0.9051037994454344
Energy: 0.8632960694747528
Energy: 0.9051037994454344
Energy: 0.8884045863937132
Energy: 0.9051037994454344
Energy: 1.6037124055782221
Energy: 0.8616120234565445
Energy: 0.8635587167935789
Energy: 0.8616120234565445
Energy: 1.6037124055782221
Energy: 0.8616120234565445
Energy: 0.8875013162585614
Energy: 0.8618320749106526
Energy: 0.8640918109364144
Energy: 0.8618320749106526
Energy: 0.8875013162564777
Energy: 0.8618320749106526
Energy: 1.5083661552985397
Energy: 0.9048388568310225
Energy: 0.8631169281892558
Energy: 0.9048388568310225
Energy: 1.5083661552985397
Energy: 0.9048388568310225
Energy: 0.8891783873812891
Energy: 0.861584677049478
Energy: 0.8652006205520372
Energy: 0.861584677049478
Energy: 0.8891783873792054
Energy: 0.861584677049478
Energy: 1.5151002055958502
Energy: 0.861564054032452
Energy: 0.8630158311021439
Energy: 0.8615640540303682
Energy: 1.5151002055958502
Energy: 0.8615640540303682
Energy: 0.8893293378350682
Energy: 1.0946051747560481
Energy: 1.4908064632588878
Energy: 1.094605174758132
Energy: 0.8893293378350682
Energy: 1.094605174758132
Energy: 1.5152042139846233
Energy: 0.8615774270494038
Energy: 0.8630103275714309
Energy: 0.8615774270494038
Energy: 1.5152042139846233
Energy: 0.8615774270494038
Energy: 0.8891607321780121
Energy: 0.8616444069952957
Energy: 0.8651807372203809
Energy: 0.8616444069932122
Energy: 0.8891607321780121
Energy: 0.8616444069932122

minimum gb energy = 0.8612729627207392 eV
minimum distance =  2.35531486051878 Angstroms
sigma value = 11


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

Energy: 1.515139111737911
Energy: 1.1874230766686567
Energy: 1.5122807759087702
Energy: 1.1874230766686567
Energy: 1.515139111737911
Energy: 1.1874230766686567
Energy: 1.124807023522928
Energy: 1.149936607477017
Energy: 1.123801974560414
Energy: 1.1499366074761017
Energy: 1.124807023522928
Energy: 1.1499366074761017
Energy: 1.1243280757753962
Energy: 1.2268647497121938
Energy: 1.1239655277985785
Energy: 1.2268647497121938
Energy: 1.124328075774481
Energy: 1.2268647497121938
Energy: 1.149689710609323
Energy: 1.1501550774880573
Energy: 1.1236803713953603
Energy: 1.150155077487142
Energy: 1.149689710609323
Energy: 1.150155077487142
Energy: 1.1239271951731258
Energy: 1.2222799361768253
Energy: 1.1497681679282525
Energy: 1.2222799361768253
Energy: 1.1239271951722105
Energy: 1.2222799361768253
Energy: 1.158442847780543
Energy: 1.2114480541954236
Energy: 1.124044181400611
Energy: 1.2114480541954236
Energy: 1.158442847780543
Energy: 1.2114480541945085
Energy: 1.149848517551948
Energy: 1.3475600095215143
Energy: 1.1545820933214954
Energy: 1.3475600095215143
Energy: 1.149848517551948
Energy: 1.347560009520599
Energy: 1.1253623587557184
Energy: 1.1506018834182803
Energy: 1.1237657194787414
Energy: 1.1506018834182803
Energy: 1.1253623587557184
Energy: 1.1506018834182803
Energy: 1.1249739775117829
Energy: 1.235056266935774
Energy: 1.1235489168210155
Energy: 1.2350562669348586
Energy: 1.1249739775117829
Energy: 1.2350562669348586
Energy: 1.1235864901003703
Energy: 1.1501166864874839
Energy: 1.1501723231547674
Energy: 1.1501166864865686
Energy: 1.1235864901003703
Energy: 1.1501166864874839
Energy: 1.1528701766215028
Energy: 1.1238598485517215
Energy: 1.1556046480051916
Energy: 1.123859848550806
Energy: 1.1528701766215028
Energy: 1.123859848550806
Energy: 1.1253329560005392
Energy: 1.2120176079952265
Energy: 1.1553719057894958
Energy: 1.212017607993396
Energy: 1.1253329560014544
Energy: 1.2120176079952265
Energy: 1.1239961256707676
Energy: 1.1501325573425976
Energy: 1.1393147616854997
Energy: 1.1501325573425976
Energy: 1.1239961256698523
Energy: 1.1501325573425976
Energy: 1.1508928344970653
Energy: 1.236629331598461
Energy: 1.150835265695459
Energy: 1.236629331598461
Energy: 1.1508928344970653
Energy: 1.236629331598461
Energy: 1.1236411400583453
Energy: 1.4664637933170843
Energy: 1.1260637198793289
Energy: 1.4664637933179996
Energy: 1.1236411400583453
Energy: 1.4664637933170843
Energy: 1.152663410548945
Energy: 1.1281627458398371
Energy: 1.1544817484051937
Energy: 1.1281627458389218
Energy: 1.1526634105471145
Energy: 1.1281627458389218
Energy: 1.1546283855802866
Energy: 1.3473448930975547
Energy: 1.1244839382244192
Energy: 1.347344893065518
Energy: 1.1546283855802866
Energy: 1.3473448931615866
Energy: 1.1242169106429325
Energy: 1.4676906449880898
Energy: 1.1234888961238025
Energy: 1.4676906449880898
Energy: 1.1242169106429325
Energy: 1.4676906449880898
Energy: 1.1500492638904567
Energy: 1.1502726196320456
Energy: 1.1501414557467005
Energy: 1.1502726196320456
Energy: 1.1500492638904567
Energy: 1.1502726196320456
Energy: 1.123669324694293
Energy: 1.1503037345811147
Energy: 1.1264649199789298
Energy: 1.1503037345811147
Energy: 1.123669324694293
Energy: 1.1503037345811147
Energy: 1.1550612239310438
Energy: 1.212613200665598
Energy: 1.1244270625793742
Energy: 1.212613200665598
Energy: 1.1550612239310438
Energy: 1.212613200665598
Energy: 1.1556345156232433
Energy: 1.1242080037208555
Energy: 1.150823042227168
Energy: 1.12420800371994
Energy: 1.1556345156232433
Energy: 1.124208003722686
Energy: 1.1519056380814174
Energy: 1.1502090672726415
Energy: 1.1595365751233007
Energy: 1.1502090672726415
Energy: 1.1519056380814174
Energy: 1.1502090672726415
Energy: 1.1235619282497684
Energy: 1.234674076289559
Energy: 1.124406153821101
Energy: 1.234674076289559
Energy: 1.1235619282497684
Energy: 1.234674076289559
Energy: 1.1267243074372228
Energy: 1.1522559523656415
Energy: 1.1241949656292725
Energy: 1.1522559523656415
Energy: 1.1267243074372228
Energy: 1.1522559523656415
Energy: 1.1548021549774017
Energy: 1.3494780509017275
Energy: 1.1497687720010448
Energy: 1.3494780509017275
Energy: 1.1548021549774017
Energy: 1.349478050902643
Energy: 1.1242161267538981
Energy: 1.2125565683236206
Energy: 1.1239997422638783
Energy: 1.2125565683236206
Energy: 1.1242161267529827
Energy: 1.2125565683227053
Energy: 1.1498247215324613
Energy: 1.349957827834518
Energy: 1.158409842653009
Energy: 1.349957827834518
Energy: 1.1498247215324613
Energy: 1.349957827834518
Energy: 1.1242165558632373
Energy: 1.1509657430556306
Energy: 1.1497897669043449
Energy: 1.1509657430556306
Energy: 1.1242165558632373
Energy: 1.1509657430556306
Energy: 1.1237513809043123
Energy: 1.150894294180084
Energy: 1.1255674872741628
Energy: 1.1508942941809992
Energy: 1.1237513809043123
Energy: 1.1508942941809992
Energy: 1.1235833855868103
Energy: 1.1528561863307885
Energy: 1.1259013828664866
Energy: 1.1528561863326192
Energy: 1.1235833855868103
Energy: 1.1528561863307885

minimum gb energy = 1.1234888961238025 eV
minimum distance =  2.23981999792822 Angstroms
sigma value = 57


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

Energy: 1.2632546058783953
Energy: 1.2677187791548006
Energy: 1.4324995630599426
Energy: 1.2677187791548006
Energy: 1.2632546058783953
Energy: 1.2677187791548006
Energy: 1.209710915213469
Energy: 1.2095372509806621
Energy: 1.208475420505981
Energy: 1.2095372509806621
Energy: 1.2097109152150978
Energy: 1.2095372509806621
Energy: 1.2090387147716566
Energy: 1.3308695944563365
Energy: 1.208528530854456
Energy: 1.3308695944563365
Energy: 1.2090387147716566
Energy: 1.3308695944563365
Energy: 1.208765111523876
Energy: 1.6685511654753642
Energy: 1.208773392686327
Energy: 1.6685511654753642
Energy: 1.208765111523876
Energy: 1.6685511654753642
Energy: 1.208531244648739
Energy: 1.3308429525445202
Energy: 1.209049907088175
Energy: 1.3308429525445202
Energy: 1.208531244648739
Energy: 1.3308429525445202
Energy: 1.208442037567148
Energy: 1.20963366133866
Energy: 1.2097263432767895
Energy: 1.209633661340289
Energy: 1.208442037567148
Energy: 1.20963366133866
Energy: 1.3641491553667218
Energy: 1.2677187791548006
Energy: 1.2632546058767666
Energy: 1.2677187791548006
Energy: 1.3641491553667218
Energy: 1.2677187791548006
Energy: 1.208475420505981
Energy: 1.209537250982291
Energy: 1.209710915213469
Energy: 1.2095372509806621
Energy: 1.208475420505981
Energy: 1.2095372509806621
Energy: 1.208528530854456
Energy: 1.3308695944563365
Energy: 1.2090387147716566
Energy: 1.3308695944563365
Energy: 1.208528530854456
Energy: 1.3308695944563365
Energy: 1.208773392686327
Energy: 1.3632096176648119
Energy: 1.208765111523876
Energy: 1.3632096176648119
Energy: 1.208773392686327
Energy: 1.3632096176648119
Energy: 1.2090499070865464
Energy: 1.3308429525445202
Energy: 1.208531244648739
Energy: 1.3308429525445202
Energy: 1.2090499070865464
Energy: 1.3308429525445202
Energy: 1.2097263432767895
Energy: 1.20963366133866
Energy: 1.208442037567148
Energy: 1.20963366133866
Energy: 1.2097263432767895
Energy: 1.20963366133866
Energy: 1.2632546058783953
Energy: 1.2677187791548006
Energy: 1.3641491553683507
Energy: 1.2677187791548006
Energy: 1.2632546058783953
Energy: 1.2677187791548006
Energy: 1.209710915213469
Energy: 1.2095372509806621
Energy: 1.208475420505981
Energy: 1.2095372509806621
Energy: 1.209710915213469
Energy: 1.2095372509806621
Energy: 1.2090387147732853
Energy: 1.3308695944563365
Energy: 1.208528530854456
Energy: 1.3308695944563365
Energy: 1.2090387147732853
Energy: 1.3308695944563365
Energy: 1.208765111523876
Energy: 1.2841596150214827
Energy: 1.208773392686327
Energy: 1.2841596150214827
Energy: 1.208765111523876
Energy: 1.3632096176648119
Energy: 1.208531244650368
Energy: 1.3308429525445202
Energy: 1.2090499070865464
Energy: 1.3308429525445202
Energy: 1.208531244650368
Energy: 1.3308429525445202

minimum gb energy = 1.208442037567148 eV
minimum distance =  2.25876579331523 Angstroms
sigma value = 9


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

Energy: 1.3152730711386755
Energy: 1.3058855417591841
Energy: 1.4786286556046537
Energy: 1.305885541757854
Energy: 1.3152730711386755
Energy: 1.305885541757854
Energy: 1.2779242896969785
Energy: 1.349958221922209
Energy: 1.3039949667618747
Energy: 1.349958221922209
Energy: 1.2779242896969785
Energy: 1.349958221922209
Energy: 1.3165152359633374
Energy: 1.316699682322635
Energy: 1.3065276812624766
Energy: 1.3166996823239647
Energy: 1.3165152359633374
Energy: 1.316699682322635
Energy: 1.3163781930551373
Energy: 1.317531992109354
Energy: 1.2836933566181619
Energy: 1.317531992109354
Energy: 1.3163781930551373
Energy: 1.317531992109354
Energy: 1.277699252609072
Energy: 1.4184547699681924
Energy: 1.30696268679454
Energy: 1.4184547699668626
Energy: 1.277699252609072
Energy: 1.4184547699681924
Energy: 1.316414017890256
Energy: 1.317640503183801
Energy: 1.3311996203677308
Energy: 1.317640503183801
Energy: 1.316414017890256
Energy: 1.317640503183801
Energy: 1.3175578039240734
Energy: 1.483229019029739
Energy: 1.3065985313085071
Energy: 1.483229019029739
Energy: 1.3175578039240734
Energy: 1.483229019029739
Energy: 1.2943160151351918
Energy: 1.3482099580409492
Energy: 1.3038707162530219
Energy: 1.3482099580409492
Energy: 1.2943160151351918
Energy: 1.3482099580409492
Energy: 1.2917224763707924
Energy: 1.3508653364016012
Energy: 1.2841699357525393
Energy: 1.3508653364016012
Energy: 1.2917224763707924
Energy: 1.3508653364002712
Energy: 1.3523220223533674
Energy: 1.5718729843082795
Energy: 1.3041704431638266
Energy: 1.5718729843096095
Energy: 1.3523220223533674
Energy: 1.5718729843096095
Energy: 1.3183818486940055
Energy: 1.3639729159478922
Energy: 1.3013011168779236
Energy: 1.3639729159478922
Energy: 1.3183818486940055
Energy: 1.3639729159478922
Energy: 1.3156635662710467
Energy: 1.3178820261040736
Energy: 1.2967160906395647
Energy: 1.3178820261027433
Energy: 1.3156635662710467
Energy: 1.3178820261027433
Energy: 1.3181082773342838
Energy: 1.3171797603608972
Energy: 1.3128860913281195
Energy: 1.3171797603622273
Energy: 1.3181082773342838
Energy: 1.3171797603622273
Energy: 1.315874810027936
Energy: 1.316779676644867
Energy: 1.2836053178517428
Energy: 1.3167796766461968
Energy: 1.315874810027936
Energy: 1.3167796766461968
Energy: 1.3474516190587809
Energy: 1.4634398604010708
Energy: 1.3222615674217268
Energy: 1.4634398604024006
Energy: 1.3474516190574508
Energy: 1.4634398604024006
Energy: 1.2916430447795693
Energy: 1.3499405073218116
Energy: 1.2835471891149295
Energy: 1.3499405073218116
Energy: 1.2916430447795693
Energy: 1.3499405073231414
Energy: 1.291873124721043
Energy: 1.3481674534337824
Energy: 1.2938799662864469
Energy: 1.3481674534324526
Energy: 1.291873124721043
Energy: 1.3481674534324526
Energy: 1.3688732965181163
Energy: 1.4627852030363366
Energy: 1.304229569148682
Energy: 1.4627852030376665
Energy: 1.3688732965181163
Energy: 1.4627852030363366
Energy: 1.3188852662765624
Energy: 1.3179316980015952
Energy: 1.27350084876009
Energy: 1.3179316980015952
Energy: 1.3188852662765624
Energy: 1.3179316980015952
Energy: 1.3158105885362936
Energy: 1.4666895223961856
Energy: 1.3044775115749676
Energy: 1.4666895223948557
Energy: 1.3158105885362936
Energy: 1.4666895223948557
Energy: 1.3185292386839178
Energy: 1.3195266985036331
Energy: 1.2937263070626184
Energy: 1.319526698506293
Energy: 1.3185292386839178
Energy: 1.3195266985036331

minimum gb energy = 1.27350084876009 eV
minimum distance =  2.25137878598958 Angstroms
sigma value = 27


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

Energy: 1.4262248004768314
Energy: 1.28207858821697
Energy: 1.4526027766296936
Energy: 1.2820785882158487
Energy: 1.4262248004768314
Energy: 1.2820785882158487
Energy: 1.26724038454333
Energy: 1.265658062839554
Energy: 1.2668751868863963
Energy: 1.265658062839554
Energy: 1.26724038454333
Energy: 1.265658062839554
Energy: 1.2797125634724076
Energy: 1.2851987691347573
Energy: 1.2673612669940766
Energy: 1.2851987691347573
Energy: 1.2797125634724076
Energy: 1.2851987691347573
Energy: 1.2689935821820497
Energy: 1.4385430197042282
Energy: 1.3067989840399534
Energy: 1.4385430197042282
Energy: 1.2689935821820497
Energy: 1.4385430197042282
Energy: 1.2677750887419443
Energy: 1.512632337570482
Energy: 1.2667747177454078
Energy: 1.512632337570482
Energy: 1.2677750887419443
Energy: 1.512632337571603
Energy: 1.283012991524403
Energy: 1.2800281644331117
Energy: 1.2814615770736302
Energy: 1.2800281644331117
Energy: 1.283012991524403
Energy: 1.2800281644319909
Energy: 1.2689194932621446
Energy: 1.4468459380722591
Energy: 1.2667496922505486
Energy: 1.4468459380711378
Energy: 1.2689194932621446
Energy: 1.4468459380711378
Energy: 1.2663070468832078
Energy: 1.3849349775827329
Energy: 1.2664613330940568
Energy: 1.3849349775827329
Energy: 1.2663070468832078
Energy: 1.3849349775827329
Energy: 1.3730143506138923
Energy: 1.43100436739153
Energy: 1.3456947238098393
Energy: 1.43100436739153
Energy: 1.3730143506138923
Energy: 1.43100436739153
Energy: 1.266182713728587
Energy: 1.26830522885516
Energy: 1.314795877703825
Energy: 1.26830522885516
Energy: 1.266182713728587
Energy: 1.2683052288540388
Energy: 1.2661606944478294
Energy: 1.2671724933171649
Energy: 1.3145663455930674
Energy: 1.2671724933171649
Energy: 1.2661606944478294
Energy: 1.2671724933160438
Energy: 1.3730307679967386
Energy: 1.4310030660204682
Energy: 1.3456912830979413
Energy: 1.4310030660204682
Energy: 1.3730307679967386
Energy: 1.4310030660204682
Energy: 1.2662481109723618
Energy: 1.3850782601162501
Energy: 1.2664139987697804
Energy: 1.3850782601162501
Energy: 1.2662481109723618
Energy: 1.3850782601162501
Energy: 1.2689542906507418
Energy: 1.4466625788045508
Energy: 1.2667238142669572
Energy: 1.4466625788045508
Energy: 1.2689542906507418
Energy: 1.4466625788045508
Energy: 1.283025824751123
Energy: 1.2847713442942794
Energy: 1.2812339709279772
Energy: 1.2847713442931583
Energy: 1.283025824751123
Energy: 1.2847713442931583
Energy: 1.2677839481413324
Energy: 1.512632337571603
Energy: 1.267132391175556
Energy: 1.512632337571603
Energy: 1.2677839481413324
Energy: 1.512632337571603
Energy: 1.268962642579674
Energy: 1.4385500083279932
Energy: 1.2800561630196596
Energy: 1.4385500083279932
Energy: 1.2689626425785532
Energy: 1.4385500083279932
Energy: 1.279696219259423
Energy: 1.2845788700021314
Energy: 1.2674879451199252
Energy: 1.2845788700021314
Energy: 1.279696219259423
Energy: 1.2845788700021314
Energy: 1.2676394290786608
Energy: 1.2654716823076126
Energy: 1.267064529648497
Energy: 1.2654716823076126
Energy: 1.2676394290786608
Energy: 1.2654716823076126
Energy: 1.4262248004768314
Energy: 1.28207858821697
Energy: 1.4169918191148183
Energy: 1.2820785882158487
Energy: 1.4262248004768314
Energy: 1.2820785882158487
Energy: 1.26724038454333
Energy: 1.265658062839554
Energy: 1.2668751868863963
Energy: 1.265658062839554
Energy: 1.26724038454333
Energy: 1.265658062839554
Energy: 1.2797125634724076
Energy: 1.2851987691347573
Energy: 1.2673612669940766
Energy: 1.2851987691347573
Energy: 1.2797125634724076
Energy: 1.2851987691347573
Energy: 1.2689935821820497
Energy: 1.4385430197042282
Energy: 1.3136493282515735
Energy: 1.4385430197042282
Energy: 1.2689935821820497
Energy: 1.4385430197042282
Energy: 1.2677750887419443
Energy: 1.512632337571603
Energy: 1.2667747177454078
Energy: 1.512632337572724
Energy: 1.2677750887419443
Energy: 1.512632337571603
Energy: 1.283012991524403
Energy: 1.2800281644331117
Energy: 1.2814615770736302
Energy: 1.2800281644319909
Energy: 1.283012991524403
Energy: 1.2800281644331117

minimum gb energy = 1.2654716823076126 eV
minimum distance =  2.28171727478598 Angstroms
sigma value = 19


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

Energy: 1.44307666772246
Energy: 1.2661430809767986
Energy: 1.3323908929791302
Energy: 1.2661430809777665
Energy: 1.44307666772246
Energy: 1.2661430809777665
Energy: 1.2764810547323848
Energy: 1.2610334501305387
Energy: 1.2572893066775626
Energy: 1.2610334501305387
Energy: 1.2764810547323848
Energy: 1.2610334501305387
Energy: 1.2478140327427252
Energy: 1.2723203727225472
Energy: 1.257205985595419
Energy: 1.2723203727225472
Energy: 1.2478140327427252
Energy: 1.2723203727225472
Energy: 1.2773843791330073
Energy: 1.3345421169671747
Energy: 1.2831232316542938
Energy: 1.334542116966207
Energy: 1.2773843791330073
Energy: 1.334542116966207
Energy: 1.2589101998482566
Energy: 1.3784602126128167
Energy: 1.275030437319177
Energy: 1.3784602126128167
Energy: 1.2589101998472887
Energy: 1.378460212611849
Energy: 1.2630559071520973
Energy: 1.4079888026052247
Energy: 1.274944540457633
Energy: 1.4079888026052247
Energy: 1.2630559071511294
Energy: 1.4079888026052247
Energy: 1.2516925082741157
Energy: 1.4411635176671502
Energy: 1.2747161382187042
Energy: 1.441163517668118
Energy: 1.2516925082741157
Energy: 1.4411635176671502
Energy: 1.2625107989204825
Energy: 1.4083024683014778
Energy: 1.2749172380530318
Energy: 1.4083024683014778
Energy: 1.2625107989214501
Energy: 1.4083024683014778
Energy: 1.2719991241122073
Energy: 1.2603359262078395
Energy: 1.294537393060282
Energy: 1.260335926206872
Energy: 1.2719991241122073
Energy: 1.260335926206872
Energy: 1.2722458323234789
Energy: 1.3462714996382683
Energy: 1.2455887151812897
Energy: 1.3462714996382683
Energy: 1.2722458323234789
Energy: 1.3462714996382683
Energy: 1.2626440192959614
Energy: 1.258989567930853
Energy: 1.2569164281734726
Energy: 1.258989567930853
Energy: 1.2626440192959614
Energy: 1.258989567930853
Energy: 1.2665426387286545
Energy: 1.2260850236973393
Energy: 1.2461004043298185
Energy: 1.2260850236973393
Energy: 1.2665426387286545
Energy: 1.2260850236983072
Energy: 1.2663498016523242
Energy: 1.2261967605875421
Energy: 1.245654328879134
Energy: 1.2261967605875421
Energy: 1.2663498016523242
Energy: 1.2261967605875421
Energy: 1.2599928002795897
Energy: 1.2831181195330474
Energy: 1.331802598586973
Energy: 1.2831181195330474
Energy: 1.2599928002795897
Energy: 1.2831181195330474
Energy: 1.2794445787664372
Energy: 1.3333776372941184
Energy: 1.2458462706419426
Energy: 1.333377637295086
Energy: 1.2794445787664372
Energy: 1.333377637295086
Energy: 1.2806184460831378
Energy: 1.3466120612326888
Energy: 1.2279716308286324
Energy: 1.3466120612326888
Energy: 1.2806184460831378
Energy: 1.3466120612326888
Energy: 1.2478190219000849
Energy: 1.4082932794162626
Energy: 1.2494038204958111
Energy: 1.408293279415295
Energy: 1.2478190219000849
Energy: 1.4082932794162626
Energy: 1.2717858849549986
Energy: 1.2924808073875516
Energy: 1.2261068062411054
Energy: 1.2924808073875516
Energy: 1.2717858849549986
Energy: 1.2924808073875516
Energy: 1.247784888641192
Energy: 1.4083757937038313
Energy: 1.249392864203397
Energy: 1.4083757937038313
Energy: 1.2477848886402245
Energy: 1.4083757937038313
Energy: 1.2805656949734485
Energy: 1.3352873029355918
Energy: 1.2407802485247257
Energy: 1.3352873029355918
Energy: 1.2805656949734485
Energy: 1.3352873029355918
Energy: 1.2793867411417132
Energy: 1.3357255090498472
Energy: 1.2458886408931957
Energy: 1.3357255090498472
Energy: 1.2793867411417132
Energy: 1.335725509050815
Energy: 1.2620868509368333
Energy: 1.2594965233642714
Energy: 1.3315402379245829
Energy: 1.2594965233642714
Energy: 1.2620868509368333
Energy: 1.2594965233633038
Energy: 1.2997977599149975
Energy: 1.257761591016104
Energy: 1.245766408526277
Energy: 1.257761591016104
Energy: 1.2997977599149975
Energy: 1.2577615910151363
Energy: 1.3096315837396049
Energy: 1.249663737826418
Energy: 1.246539383891741
Energy: 1.2496637378254503
Energy: 1.3096315837386372
Energy: 1.2496637378254503
Energy: 1.2880241261792797
Energy: 1.2591300200029376
Energy: 1.25703273049167
Energy: 1.2591300200029376
Energy: 1.2880241261792797
Energy: 1.25913002000197
Energy: 1.2794583247970501
Energy: 1.2529658562093318
Energy: 1.2457066464031263
Energy: 1.2529658562102992
Energy: 1.2794583247970501
Energy: 1.2529658562093318
Energy: 1.2722542723504926
Energy: 1.335006613780339
Energy: 1.2935190234271097
Energy: 1.335006613780339
Energy: 1.2722542723504926
Energy: 1.335006613780339
Energy: 1.2625549587618883
Energy: 1.4081893054368335
Energy: 1.274855525187981
Energy: 1.4081893054368335
Energy: 1.2625549587618883
Energy: 1.4081893054368335
Energy: 1.2518631313547626
Energy: 1.4456152944600424
Energy: 1.2747476189458922
Energy: 1.4456152944600424
Energy: 1.251863131353795
Energy: 1.4456152944600424

minimum gb energy = 1.2260850236973393 eV
minimum distance =  2.24000869656724 Angstroms
sigma value = 101


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

Energy: 1.374380901882672
Energy: 1.2833268347436815
Energy: 1.3707279034655118
Energy: 1.2833268347436815
Energy: 1.374380901882672
Energy: 1.2833268347436815
Energy: 1.2187772162236967
Energy: 1.2065757324690347
Energy: 1.2185986335231223
Energy: 1.2065757324690347
Energy: 1.2187772162245472
Energy: 1.2065757324690347
Energy: 1.2062666277852965
Energy: 1.1934499831158483
Energy: 1.219070198539527
Energy: 1.1934499831158483
Energy: 1.2062666277852965
Energy: 1.1934499831158483
Energy: 1.2291910620176552
Energy: 1.2064667596778476
Energy: 1.22690596072953
Energy: 1.2064667596786984
Energy: 1.2291910620176552
Energy: 1.2064667596786984
Energy: 1.1934793013133547
Energy: 1.29101914543709
Energy: 1.2064533673327817
Energy: 1.29101914543709
Energy: 1.1934793013133547
Energy: 1.29101914543709
Energy: 1.2082794862777206
Energy: 1.3849847674206222
Energy: 1.1940994482662286
Energy: 1.3849847674197717
Energy: 1.2082794862777206
Energy: 1.3849847674206222
Energy: 1.2064915466194628
Energy: 1.4288303327581162
Energy: 1.1932672584284836
Energy: 1.4288303327572656
Energy: 1.2064915466194628
Energy: 1.4288303327572656
Energy: 1.2055441491421859
Energy: 1.428717732857945
Energy: 1.2062549417414274
Energy: 1.4287177328570946
Energy: 1.2055441491421859
Energy: 1.4287177328570946
Energy: 1.1932746655271733
Energy: 1.3845300399643121
Energy: 1.2065880530799358
Energy: 1.3845300399643121
Energy: 1.1932746655271733
Energy: 1.3845300399643121
Energy: 1.192645520987627
Energy: 1.3250131430818364
Energy: 1.1944662487618172
Energy: 1.3250131430818364
Energy: 1.192645520987627
Energy: 1.3250131430818364
Energy: 1.256570591970746
Energy: 1.3720622384358445
Energy: 1.2759297531676952
Energy: 1.3720622384358445
Energy: 1.256570591970746
Energy: 1.3720622384358445
Energy: 1.218596689751726
Energy: 1.1933042248816244
Energy: 1.1940059529140563
Energy: 1.1933042248816244
Energy: 1.218596689751726
Energy: 1.1933042248816244
Energy: 1.2189952597438092
Energy: 1.1939610603212014
Energy: 1.212466826677819
Energy: 1.1939610603212014
Energy: 1.2189952597429585
Energy: 1.1939610603229027
Energy: 1.2249829634692526
Energy: 1.2131535809375091
Energy: 1.2190405624081717
Energy: 1.2131535809375091
Energy: 1.2249829634692526
Energy: 1.2131535809375091
Energy: 1.1926841107241957
Energy: 1.2946532816650322
Energy: 1.218360418117295
Energy: 1.2946532816650322
Energy: 1.192684110725046
Energy: 1.2946532816650322
Energy: 1.2518670445224136
Energy: 1.1936571569498042
Energy: 1.2078146498832385
Energy: 1.1936571569498042
Energy: 1.2518670445224136
Energy: 1.1936571569489536
Energy: 1.1933143476331238
Energy: 1.2215119106184513
Energy: 1.193205909011377
Energy: 1.2215119106184513
Energy: 1.1933143476331238
Energy: 1.2215119106184513
Energy: 1.2075226109634398
Energy: 1.2214129160928027
Energy: 1.1927618202738466
Energy: 1.2214129160936535
Energy: 1.2075226109634398
Energy: 1.2214129160936535
Energy: 1.206870249568931
Energy: 1.3802173629949934
Energy: 1.2057126162512408
Energy: 1.3802173629949934
Energy: 1.206870249568931
Energy: 1.3802173629949934
Energy: 1.1930567236956908
Energy: 1.2589215785106638
Energy: 1.1925987777855906
Energy: 1.2589215785106638
Energy: 1.1930567236965413
Energy: 1.2589215785106638
Energy: 1.2210919993146228
Energy: 1.2243330809410746
Energy: 1.2061048693850225
Energy: 1.2243330809402242
Energy: 1.2210919993146228
Energy: 1.2243330809410746
Energy: 1.1940357360614426
Energy: 1.3805271207244576
Energy: 1.1926763224254469
Energy: 1.3805271207244576
Energy: 1.1940357360614426
Energy: 1.3805271207244576
Energy: 1.202804629971484
Energy: 1.3793411301570606
Energy: 1.1934292939160596
Energy: 1.3793411301570606
Energy: 1.202804629971484
Energy: 1.3793411301570606
Energy: 1.2290059799247184
Energy: 1.206182775742877
Energy: 1.2591558834837862
Energy: 1.2061827757437276
Energy: 1.2290059799238677
Energy: 1.206182775742877
Energy: 1.1933601119313837
Energy: 1.2866887032405725
Energy: 1.1928060092689128
Energy: 1.2866887032397218
Energy: 1.1933601119313837
Energy: 1.2866887032405725
Energy: 1.212323355899837
Energy: 1.2135224411529593
Energy: 1.2519832082107243
Energy: 1.2135224411529593
Energy: 1.2123233559006876
Energy: 1.2135224411529593
Energy: 1.2187743406027993
Energy: 1.193225457552922
Energy: 1.192953285889867
Energy: 1.193225457552922
Energy: 1.2187743406027993
Energy: 1.193225457552922
Energy: 1.2183911507936624
Energy: 1.1931577434230582
Energy: 1.1949225805687744
Energy: 1.1931577434230582
Energy: 1.2183911507936624
Energy: 1.1931577434230582
Energy: 1.2646644114892525
Energy: 1.194777595061963
Energy: 1.2998664639080153
Energy: 1.1947775950611124
Energy: 1.2646644114892525
Energy: 1.1947775950611124
Energy: 1.1926870322251775
Energy: 1.1981199930583395
Energy: 1.1952392479356007
Energy: 1.1981199930583395
Energy: 1.1926870322251775
Energy: 1.19811999305919
Energy: 1.1931248131689665
Energy: 1.2214750033859612
Energy: 1.2057075285786545
Energy: 1.2214750033867732
Energy: 1.1931248131689665
Energy: 1.2214750033876238
Energy: 1.212362734830829
Energy: 1.3813102931714123
Energy: 1.194246649225002
Energy: 1.3813102931705619
Energy: 1.212362734830829
Energy: 1.3813102931714123
Energy: 1.1932213604615247
Energy: 1.2568809781255537
Energy: 1.202880549056862
Energy: 1.2568809781255537
Energy: 1.1932213604615247
Energy: 1.2568809781247032

minimum gb energy = 1.1925987777855906 eV
minimum distance =  2.26454016555633 Angstroms
sigma value = 33


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

Energy: 0.01494979175933148
Energy: 0.015907149077305106
Energy: 1.3276878725208527
Energy: 0.015907149076598338
Energy: 0.01494979175933148
Energy: 0.015907149076598338
Energy: 0.015217212648105645
Energy: 0.680856342190062
Energy: 0.015217212648773147
Energy: 0.680856342190062
Energy: 0.015217212648105645
Energy: 0.680856342190062
Energy: 1.3276878725215593
Energy: 0.015907149077305106
Energy: 0.01494979175933148
Energy: 0.015907149077305106
Energy: 1.3276878725208527
Energy: 0.015907149077305106
Energy: 0.015217212648105645
Energy: 0.680856342190062
Energy: 0.015217212648773147
Energy: 0.680856342190062
Energy: 0.015217212648105645
Energy: 0.680856342190062

minimum gb energy = 0.01494979175933148 eV
minimum distance =  2.4574395924462 Angstroms
sigma value = 1