Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000994205475
cohesive_energy=4.414156524791696
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0364522165523 eV

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

Energy: 0.018013724104093756
Energy: 0.018575441340351058
Energy: 0.5235325933467625
Energy: 0.018575441339726276
Energy: 0.018575441340351058
Energy: 0.9723051746773326
Energy: 0.018575441340351058
Energy: 0.9723051746773326
Energy: 0.5235325933467625
Energy: 0.018575441340351058
Energy: 0.018013724104093756
Energy: 0.018575441340351058
Energy: 0.018575441340351058
Energy: 0.9723051746773326
Energy: 0.018575441340351058
Energy: 0.9723051746773326

minimum gb energy = 0.018013724104093756 eV
minimum distance =  2.43217964438796 Angstroms
sigma value = 1


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

Energy: 1.29424411629098
Energy: 1.3200454238446657
Energy: 1.3173558400477714
Energy: 1.3200454238446657
Energy: 1.257515100184119
Energy: 1.3193299969046495
Energy: 1.2336185912427826
Energy: 1.3193299969054517
Energy: 1.1747006027245188
Energy: 1.3027398256380096
Energy: 1.2300688679902443
Energy: 1.3027398256388119
Energy: 1.2219057342164672
Energy: 1.3318335171166868
Energy: 1.2057612511274496
Energy: 1.3318335171150824
Energy: 1.2247363211881324
Energy: 1.3217485884629627
Energy: 1.2501437344439779
Energy: 1.321748588463765
Energy: 1.1884330090152908
Energy: 1.3092495366249985
Energy: 1.166044804560624
Energy: 1.3092495366225916
Energy: 1.261722227647589
Energy: 1.3029475793900651
Energy: 1.1903872087995364
Energy: 1.3029475793884604
Energy: 1.1304206002325161
Energy: 1.3212522027058649
Energy: 1.1658016617295197
Energy: 1.321252202706667
Energy: 1.208222392111523
Energy: 1.2342479262593489
Energy: 1.2435534175491207
Energy: 1.2342479262585462
Energy: 1.1595338604030687
Energy: 1.3021206924485818
Energy: 1.125396681067716
Energy: 1.3021206924501865
Energy: 1.2368550133516207
Energy: 1.3206531772411574
Energy: 1.2081513433771403
Energy: 1.320653177242762
Energy: 1.2361652400151413
Energy: 1.3210916568265907
Energy: 1.1721118572894773
Energy: 1.3210916568257882
Energy: 1.2300799211120943
Energy: 1.3020814234352807
Energy: 1.2614773562302803
Energy: 1.302081423433676
Energy: 1.2373780440880693
Energy: 1.3126608432574305
Energy: 1.1952116419468133
Energy: 1.3126608432574305
Energy: 1.2441298719440943
Energy: 1.3194953122411786
Energy: 1.2299645792132416
Energy: 1.3194953122411786
Energy: 1.2523134170890202
Energy: 1.3201030489419214
Energy: 1.2298405814683044
Energy: 1.3201030489435261
Energy: 1.2297899711930405
Energy: 1.3026963657134218
Energy: 1.166981875057432
Energy: 1.3026963657134218
Energy: 1.2335238711926935
Energy: 1.2849021414611423
Energy: 1.2587713749439309
Energy: 1.2849021414603399
Energy: 1.1421164545264455
Energy: 1.32037496684934
Energy: 1.1718097853448282
Energy: 1.3203749668477354
Energy: 1.2321369248309466
Energy: 1.233862619394416
Energy: 1.2123962759356297
Energy: 1.233862619394416
Energy: 1.1614937629461846
Energy: 1.302660508566136
Energy: 1.1237689879336283
Energy: 1.302660508566136
Energy: 1.2062578628296765
Energy: 1.318106502352768
Energy: 1.2449860962251456
Energy: 1.318106502352768
Energy: 1.2302262086303402
Energy: 1.3221255846698463
Energy: 1.176976911423362
Energy: 1.3221255846674393
Energy: 1.2163129487981656
Energy: 1.3023247633295485
Energy: 1.1885370072906736
Energy: 1.3023247633303507
Energy: 1.190357716250357
Energy: 1.3032189562791874
Energy: 1.2619001094542737
Energy: 1.3032189562767806
Energy: 1.2287587518722274
Energy: 1.3215479576609388
Energy: 1.1760200976720572
Energy: 1.3215479576633458
Energy: 1.2215716910368006
Energy: 1.3181908705583154
Energy: 1.2074920246454914
Energy: 1.3181908705591177
Energy: 1.1780773905266655
Energy: 1.3018886004067758
Energy: 1.2694172956891518
Energy: 1.3018886004083805
Energy: 1.2567950034548017
Energy: 1.304275737757461
Energy: 1.2274476517289872
Energy: 1.3042757377590652
Energy: 1.2891594494170389
Energy: 1.320361539481633
Energy: 1.2397074421681957
Energy: 1.320361539481633
Energy: 1.2616582284478501
Energy: 1.3123601491867394
Energy: 1.2299749926589985
Energy: 1.3123601491859371
Energy: 1.2201094745359082
Energy: 1.3033680656238593
Energy: 1.237299966986178
Energy: 1.3033680656222548
Energy: 1.225255642250773
Energy: 1.3332973074483419
Energy: 1.20697012018119
Energy: 1.3332973074467371

minimum gb energy = 1.1237689879336283 eV
minimum distance =  2.24413175853962 Angstroms
sigma value = 1


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

Energy: 1.373333176396654
Energy: 1.403726969959524
Energy: 1.3945171181675762
Energy: 1.4037269699549502
Energy: 1.2872352064853696
Energy: 1.368469727398226
Energy: 1.2790751915476741
Energy: 1.3684697273927375
Energy: 1.2281700061734742
Energy: 1.3991350667467262
Energy: 1.2792724875026034
Energy: 1.3991350667430675
Energy: 1.220102768347328
Energy: 1.260767305079847
Energy: 1.2314885148689079
Energy: 1.2607673050844204
Energy: 1.2200480337094857
Energy: 1.3777712280722536
Energy: 1.2782245776277512
Energy: 1.3777712280759125
Energy: 1.3033594147775143
Energy: 1.3777030764422316
Energy: 1.2662012680979067
Energy: 1.377703076440402
Energy: 1.2864938894396027
Energy: 1.2579002091150349
Energy: 1.231435442360975
Energy: 1.2579002091186937
Energy: 1.1690624729387522
Energy: 1.403130397790497
Energy: 1.22119156825952
Energy: 1.4031303977886675
Energy: 1.2330269004264525
Energy: 1.2974965639881528
Energy: 1.2788952068984878
Energy: 1.2974965639872378
Energy: 1.219006026305434
Energy: 1.402658125461453
Energy: 1.18414306093328
Energy: 1.402658125457794
Energy: 1.2861484153991822
Energy: 1.3398094327018486
Energy: 1.2790404487206655
Energy: 1.3398094327064223
Energy: 1.2018423630348865
Energy: 1.3903034030874886
Energy: 1.2794222052960975
Energy: 1.390303403086574
Energy: 1.2981422447167656
Energy: 1.3768921087047172
Energy: 1.2892912221964494
Energy: 1.3768921087065469
Energy: 1.2986986125958075
Energy: 1.3769019416640067
Energy: 1.2582084491357055
Energy: 1.3769019416640067
Energy: 1.2017210968049699
Energy: 1.3904379436202978
Energy: 1.2791119605579497
Energy: 1.3904379436138947
Energy: 1.2862137869390033
Energy: 1.3398171909800236
Energy: 1.2795126210083037
Energy: 1.339817190981853
Energy: 1.2189934806670473
Energy: 1.402243955386468
Energy: 1.1950141434659012
Energy: 1.402243955385553
Energy: 1.2330202455924457
Energy: 1.2973640516017104
Energy: 1.2790872045079802
Energy: 1.2973640516007956
Energy: 1.1690678258925837
Energy: 1.4038570925125395
Energy: 1.2211797794685813
Energy: 1.4038570925143692
Energy: 1.2865923953312886
Energy: 1.2599373079212925
Energy: 1.23724511186823
Energy: 1.259937307923122
Energy: 1.3133472766038354
Energy: 1.3777259096977106
Energy: 1.2133492670542876
Energy: 1.3777259096931367
Energy: 1.2201767380436483
Energy: 1.377775061318438
Energy: 1.2908822385821754
Energy: 1.377775061321182
Energy: 1.2201315774779617
Energy: 1.2602556760360772
Energy: 1.231247746990597
Energy: 1.260255676037907
Energy: 1.2283558921538873
Energy: 1.3990645262031032
Energy: 1.2789339247456748
Energy: 1.3990645262021884
Energy: 1.2872645672594811
Energy: 1.3684589639470612
Energy: 1.2791691011894017
Energy: 1.3684589639424873
Energy: 1.373333176396654
Energy: 1.403726969959524
Energy: 1.3611955362726764
Energy: 1.4037269699549502
Energy: 1.2872352064853696
Energy: 1.368469727399141
Energy: 1.2790751915476741
Energy: 1.3684697273936524
Energy: 1.228170006175304
Energy: 1.3991350667467262
Energy: 1.281450891252629
Energy: 1.3991350667430675
Energy: 1.2201027683482428
Energy: 1.260767305079847
Energy: 1.2266928631056417
Energy: 1.260767305082591

minimum gb energy = 1.1690624729387522 eV
minimum distance =  2.25571151145439 Angstroms
sigma value = 25


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

Energy: 1.3217325958305288
Energy: 1.462932866037063
Energy: 1.4847037472277613
Energy: 1.462932866037063
Energy: 1.2951890835932998
Energy: 1.399997511117619
Energy: 1.2910684476436651
Energy: 1.399997511118682
Energy: 1.264680459860087
Energy: 1.5071152441559168
Energy: 1.2923693774369114
Energy: 1.5071152441559168
Energy: 1.2972667752054952
Energy: 1.3068286933130098
Energy: 1.2713729910687017
Energy: 1.3068286933087565
Energy: 1.2732831856039628
Energy: 1.4679176601467525
Energy: 1.3575613610189288
Energy: 1.4679176601467525
Energy: 1.3849949444639233
Energy: 1.5058788494109103
Energy: 1.298023027768323
Energy: 1.5058788494109103
Energy: 1.2945689583399083
Energy: 1.2983666473735447
Energy: 1.3019646503623183
Energy: 1.2983666473746083
Energy: 1.4615322067434802
Energy: 1.4642817449526055
Energy: 1.2301845158241538
Energy: 1.464281744953669
Energy: 1.302157783104965
Energy: 1.3972415509952523
Energy: 1.2909159671796373
Energy: 1.3972415509963154
Energy: 1.290703844233434
Energy: 1.506472032338797
Energy: 1.2573614094144663
Energy: 1.5064720323398606
Energy: 1.3570258021933619
Energy: 1.4649106671055203
Energy: 1.2915339336708713
Energy: 1.4649106671055203
Energy: 1.2728855622320256
Energy: 1.4628984967905347
Energy: 1.2912999069191962
Energy: 1.4628984967905347
Energy: 1.29243215612119
Energy: 1.4132460015501525
Energy: 1.2582342388597925
Energy: 1.4132460015512158
Energy: 1.302987479951694
Energy: 1.3805910222270419
Energy: 1.2940117669327487
Energy: 1.3805910222281053
Energy: 1.2255772882325777
Energy: 1.4636802919907417
Energy: 1.2273921881536263
Energy: 1.4636802919907417
Energy: 1.2905910963845568
Energy: 1.301544771142647
Energy: 1.2704420940957961
Energy: 1.301544771142647
Energy: 1.2142870403563133
Energy: 1.505767870401402
Energy: 1.2138152721069242
Energy: 1.505767870402465
Energy: 1.2709460406373292
Energy: 1.4101216251751705
Energy: 1.2929175302159752
Energy: 1.410121625174107
Energy: 1.2907466349245846
Energy: 1.4196090173743154
Energy: 1.2733820132685592
Energy: 1.4196090173732518
Energy: 1.2964822719198108
Energy: 1.504701761619548
Energy: 1.2976397060321019
Energy: 1.5047017616206113
Energy: 1.3078117481706446
Energy: 1.391609893836289
Energy: 1.2910731544488274
Energy: 1.3916098938384163
Energy: 1.3211926591415726
Energy: 1.4634957592655211
Energy: 1.3839745879111107
Energy: 1.4634957592644575
Energy: 1.2922384819756507
Energy: 1.4077366416370152
Energy: 1.2913097775653442
Energy: 1.4077366416348884
Energy: 1.264645682172764
Energy: 1.5075986981782237
Energy: 1.2907634204349592
Energy: 1.5075986981792873
Energy: 1.2909712321386084
Energy: 1.3208269668269865
Energy: 1.2695010883624476
Energy: 1.3208269668269865

minimum gb energy = 1.2138152721069242 eV
minimum distance =  2.25082760173296 Angstroms
sigma value = 9


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

Energy: 1.3843072723035958
Energy: 1.3838025520005177
Energy: 1.592956785296105
Energy: 1.3838025519992494
Energy: 1.3498387927328055
Energy: 1.4704473170816705
Energy: 1.3667776848884272
Energy: 1.4704473170816705
Energy: 1.2677874460645953
Energy: 1.3737667384147987
Energy: 1.3727012422078353
Energy: 1.3737667384160674
Energy: 1.3711699316184864
Energy: 1.494438234853997
Energy: 1.2886750593272498
Energy: 1.494438234853997
Energy: 1.4705547965820767
Energy: 1.469822194656255
Energy: 1.3719352976940213
Energy: 1.469822194656255
Energy: 1.2534305965675332
Energy: 1.3734234298497685
Energy: 1.2894488927829955
Energy: 1.3734234298510373
Energy: 1.3657763023084397
Energy: 1.288144975581969
Energy: 1.2882262861409224
Energy: 1.288144975579432
Energy: 1.402758658528907
Energy: 1.3737035953221783
Energy: 1.2769739546656678
Energy: 1.37370359532091
Energy: 1.3672781842431552
Energy: 1.4702400944901484
Energy: 1.371075874514311
Energy: 1.4702400944901484
Energy: 1.374518692901835
Energy: 1.3796699748588002
Energy: 1.288937733288269
Energy: 1.3796699748625771
Energy: 1.3090256741020132
Energy: 1.4692964006254845
Energy: 1.3726489203030305
Energy: 1.469296400624216
Energy: 1.3707433253657453
Energy: 1.4343659871727483
Energy: 1.2895098396091114
Energy: 1.4343659871752854
Energy: 1.2525018178115557
Energy: 1.3829472239462943
Energy: 1.273348302453658
Energy: 1.3829472239488314
Energy: 1.3537327381290523
Energy: 1.3725962461209522
Energy: 1.36798075646313
Energy: 1.3725962461184151
Energy: 1.2525294015952408
Energy: 1.3835693287699005
Energy: 1.273185390932523
Energy: 1.3835693287699005
Energy: 1.3716369410800913
Energy: 1.4342160700250541
Energy: 1.2893517564147245
Energy: 1.4342160700250541
Energy: 1.3088193549659513
Energy: 1.4691959935495098
Energy: 1.372644365103411
Energy: 1.469195993546973
Energy: 1.3744450321380053
Energy: 1.3797112039157184
Energy: 1.288822627665303
Energy: 1.37971120391445
Energy: 1.367433359300857
Energy: 1.4701519794702986
Energy: 1.3710719099707636
Energy: 1.4701519794677618
Energy: 1.402768589370835
Energy: 1.3731772527078911
Energy: 1.2769774243787653
Energy: 1.3731772527066224
Energy: 1.365834264059991
Energy: 1.288178988170061
Energy: 1.288300801519224
Energy: 1.2881789881713295

minimum gb energy = 1.2525018178115557 eV
minimum distance =  2.33530307621639 Angstroms
sigma value = 25


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

Energy: 1.3167787936641415
Energy: 1.5912527524685056
Energy: 1.707916637659432
Energy: 1.5912527524685056
Energy: 1.2947421390555895
Energy: 1.4841970468609211
Energy: 1.2839923297257074
Energy: 1.4841970468609211
Energy: 1.2844196756441713
Energy: 1.5032656512847233
Energy: 1.2837641839963754
Energy: 1.503265651286292
Energy: 1.3165650702123768
Energy: 1.2995409637687971
Energy: 1.477678006235088
Energy: 1.2995409637719348
Energy: 1.474326961084633
Energy: 1.2959316519135171
Energy: 1.3481592062764993
Energy: 1.2959316519119481
Energy: 1.2879618147982435
Energy: 1.5081381229854134
Energy: 1.2859441733980055
Energy: 1.5081381229838446
Energy: 1.2838003375258233
Energy: 1.4828806013354265
Energy: 1.2837599376104871
Energy: 1.4828806013354265
Energy: 1.458315892391714
Energy: 1.2854340660218255
Energy: 1.3184136103651778
Energy: 1.2854340660218255
Energy: 1.283818568851812
Energy: 1.399103785089773
Energy: 1.2972428850750726
Energy: 1.399103785089773
Energy: 1.5108316690570673
Energy: 1.5066680179776606
Energy: 1.2864055054775554
Energy: 1.5066680179792296
Energy: 1.373172402585549
Energy: 1.300018414731437
Energy: 1.6461104696760938
Energy: 1.3000184147204554
Energy: 1.2850963199982783
Energy: 1.3283719172019006
Energy: 1.5114654231226041
Energy: 1.3283719172050383
Energy: 1.4678266959594344
Energy: 1.3759955672109698
Energy: 1.2831689851908914
Energy: 1.3759955672109698
Energy: 1.2840371519228162
Energy: 1.3034627216771277
Energy: 1.3170999064143118
Energy: 1.3034627216786965
Energy: 1.3284279982180722
Energy: 1.2848500036343566
Energy: 1.4580770567755357
Energy: 1.284850003370943
Energy: 1.2978416303427134
Energy: 1.4210768806697338
Energy: 1.2878698949862775
Energy: 1.4210768806650274
Energy: 1.2843608534187914
Energy: 1.4054320735454133
Energy: 1.508679640056524
Energy: 1.4054320735454133

minimum gb energy = 1.2831689851908914 eV
minimum distance =  2.32080871670239 Angstroms
sigma value = 17


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

Energy: 1.4430737223353303
Energy: 1.4428077094996874
Energy: 1.7560114285124329
Energy: 1.442807709498799
Energy: 1.5120822886948795
Energy: 1.4131610369250545
Energy: 1.3177735535305135
Energy: 1.4131610369259429
Energy: 1.4978909012126391
Energy: 1.4758028216756498
Energy: 1.3176216859600514
Energy: 1.4758028216756498
Energy: 1.3188487292276876
Energy: 1.4581212233114416
Energy: 1.4272110153949693
Energy: 1.4581212233167726
Energy: 1.5283446388166537
Energy: 1.4312827186082415
Energy: 1.3172439543210406
Energy: 1.4312827186082415
Energy: 1.3297756832965706
Energy: 1.3688258084908305
Energy: 1.5114553219657538
Energy: 1.3688258084890537
Energy: 1.3229250940206123
Energy: 1.466719593186537
Energy: 1.3179509632075084
Energy: 1.466719593186537
Energy: 1.5011756227903972
Energy: 1.481739220545162
Energy: 1.3380425657416926
Energy: 1.4817392205460507
Energy: 1.3329439504857836
Energy: 1.4766825086239337
Energy: 1.5324908917721423
Energy: 1.4766825086239337
Energy: 1.634822420194358
Energy: 1.4103726263081717
Energy: 1.3200849322125532
Energy: 1.4103726262495722
Energy: 1.3216770552726669
Energy: 1.480606485100221
Energy: 1.5028388661804486
Energy: 1.4806064851011098
Energy: 1.332149436530554
Energy: 1.461271367615407
Energy: 1.3293977566930462
Energy: 1.4612713676145188
Energy: 1.5123975521871187
Energy: 1.4374541554194171
Energy: 1.4354701353781916
Energy: 1.4374541554167517
Energy: 1.3272508076549177
Energy: 1.482085931953047
Energy: 1.5138985325359735
Energy: 1.482085931963709
Energy: 1.43802260507791
Energy: 1.469543641735299
Energy: 1.3338528689819602
Energy: 1.469543641735299
Energy: 1.4982497326957798
Energy: 1.4814814187770013
Energy: 1.5018696116861763
Energy: 1.4814814187787784
Energy: 1.3181224678545516
Energy: 1.4590438238214931
Energy: 1.5170939279107898
Energy: 1.4590438238223813
Energy: 1.481342883000901
Energy: 1.4374565994190176
Energy: 1.329589557377124
Energy: 1.437456599418129
Energy: 1.3177284081126608
Energy: 1.4726838894223255
Energy: 1.4079206349392674
Energy: 1.472683889423214
Energy: 1.3179214126725316
Energy: 1.4865016703945955
Energy: 1.3191606752460394
Energy: 1.4865016703945955
Energy: 1.4094219203271852
Energy: 1.442153396050765
Energy: 1.4974373265873608
Energy: 1.4421533960498767
Energy: 1.3178786541244982
Energy: 1.569994480077485
Energy: 1.6355789152705364
Energy: 1.569994480075708
Energy: 1.4212631159293594
Energy: 1.4839853071156088
Energy: 1.3168987305383897
Energy: 1.4839853071147204
Energy: 1.3287586714546622
Energy: 1.4687849663425006
Energy: 1.505388748738542
Energy: 1.4687849663451662
Energy: 1.3283543236350945
Energy: 1.4752053930597784
Energy: 1.5047084812349496
Energy: 1.475205393060667
Energy: 1.5304889501026033
Energy: 1.4852942128594195
Energy: 1.3180583699686619
Energy: 1.4852942128585314
Energy: 1.317602403203629
Energy: 1.5262973367974753
Energy: 1.6664122025840389
Energy: 1.5262973367992523
Energy: 1.50918069289948
Energy: 1.3695487819433898
Energy: 1.499057401144083
Energy: 1.369548781944278
Energy: 1.6177288442057502
Energy: 1.5813972532043257
Energy: 1.322557516823732
Energy: 1.5813972532052145
Energy: 1.3381423630180684
Energy: 1.5110211098279884
Energy: 1.4833849789016842
Energy: 1.5110211098271003

minimum gb energy = 1.3168987305383897 eV
minimum distance =  2.22367270674408 Angstroms
sigma value = 53


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

Energy: 1.2415738503214975
Energy: 1.2415462053868278
Energy: 1.8248237280019
Energy: 1.2415462053847823
Energy: 1.5093434820769072
Energy: 1.3606203132983417
Energy: 1.4191682168761737
Energy: 1.3606203132942507
Energy: 1.2427026850950018
Energy: 1.2409099068442941
Energy: 1.3107300062161003
Energy: 1.2409099068422484
Energy: 1.242507744057909
Energy: 1.2409493086009074
Energy: 1.3107296786724925
Energy: 1.2409493086009074
Energy: 1.5092962008898136
Energy: 1.3605454733559819
Energy: 1.4184570597430173
Energy: 1.3605454733580271
Energy: 1.2415738503214975
Energy: 1.2415462053868278
Energy: 1.7285913799469235
Energy: 1.2415462053868278
Energy: 1.5093434820789526
Energy: 1.360620313296296
Energy: 1.4931724389173209
Energy: 1.3606203132942507
Energy: 1.2427026850950018
Energy: 1.2409099068442941
Energy: 1.395439416294864
Energy: 1.2409099068422484
Energy: 1.242507744057909
Energy: 1.2409493086009074
Energy: 1.413899950245006
Energy: 1.2409493086009074
Energy: 1.5092962008918591
Energy: 1.3605454733559819
Energy: 1.4960499955776574
Energy: 1.3605454733580271
Energy: 1.2415738503214975
Energy: 1.2415462053868278
Energy: 1.6667690438374096
Energy: 1.2415462053847823
Energy: 1.5093434820769072
Energy: 1.3606203132983417
Energy: 1.4931724389173209
Energy: 1.3606203132942507
Energy: 1.2427026850970475
Energy: 1.2409099068442941
Energy: 1.494498874562775
Energy: 1.2409099068422484

minimum gb energy = 1.2409099068422484 eV
minimum distance =  2.29687601668249 Angstroms
sigma value = 9


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

Energy: 1.3764804173310312
Energy: 1.5769246395078584
Energy: 1.8435244193723064
Energy: 1.5769246395071015
Energy: 1.5822829202794029
Energy: 1.4520777594641616
Energy: 1.3788736115211278
Energy: 1.4520777594641616
Energy: 1.3746723999608892
Energy: 1.3644063038875085
Energy: 1.3807936393678202
Energy: 1.3644063038875085
Energy: 1.5438525829076037
Energy: 1.655786505245316
Energy: 1.3808724953335412
Energy: 1.6557865052438019
Energy: 1.5617669020561022
Energy: 1.4432728108899269
Energy: 1.3795039398032174
Energy: 1.4432728108891701
Energy: 1.3630233305688677
Energy: 1.3634579502218638
Energy: 1.549713616214424
Energy: 1.3634579502211068
Energy: 1.794929324470281
Energy: 1.4389920592913454
Energy: 1.3804671355627787
Energy: 1.4389920592921024
Energy: 1.3792464390829886
Energy: 1.4824537549098715
Energy: 1.552058995590731
Energy: 1.4824537549106287
Energy: 1.376313592897715
Energy: 1.6604516235328064
Energy: 1.3730106133334192
Energy: 1.6604516235328064
Energy: 1.3751342661650476
Energy: 1.4430128615240787
Energy: 1.3801179686836358
Energy: 1.4430128615255926
Energy: 1.3789957294245478
Energy: 1.4816802636151054
Energy: 1.7979663533398056
Energy: 1.4816802636143485
Energy: 1.5678599133857762
Energy: 1.5773150296495082
Energy: 1.3761763480833167
Energy: 1.5773150296495082
Energy: 1.3765120116793683
Energy: 1.4720123720672396
Energy: 1.673360367849423
Energy: 1.4720123720679963
Energy: 1.5489568993272838
Energy: 1.6398156854869566
Energy: 1.3814225673858702
Energy: 1.6398156854869566
Energy: 1.3803484351307256
Energy: 1.5457995004745468
Energy: 1.546690627379176
Energy: 1.5457995004745468
Energy: 1.3792599590712449
Energy: 1.641533146750529
Energy: 1.556974463219721
Energy: 1.641533146752043
Energy: 1.4587387913690533
Energy: 1.5470942043090772
Energy: 1.3814428088732704
Energy: 1.5470942043098341
Energy: 1.3781185573249948
Energy: 1.439383946021281
Energy: 1.5605061014423387
Energy: 1.4393839460174958
Energy: 1.5469055704531214
Energy: 1.4705163781436086
Energy: 1.3648894623335317
Energy: 1.470516378142094
Energy: 1.3770213201756238
Energy: 1.4576339350954954
Energy: 1.4717284489470968
Energy: 1.4576339350932244
Energy: 1.5529907535347494
Energy: 1.652117497499532
Energy: 1.5471183688799999
Energy: 1.6521174975025603
Energy: 1.479510342704234
Energy: 1.3753724237165192
Energy: 1.376461440029664
Energy: 1.3753724237180336
Energy: 1.3732881224782991
Energy: 1.5416713645490903
Energy: 1.3777489788469897
Energy: 1.541671364546819
Energy: 1.8115025449619635
Energy: 1.4740767369490972
Energy: 1.3783008202991587
Energy: 1.474076736947583
Energy: 1.380248715143744
Energy: 1.6004596339907111
Energy: 1.6913558483351085
Energy: 1.6004596339914678
Energy: 1.4734545851916618
Energy: 1.3642451200678258
Energy: 1.3747980036218574
Energy: 1.3642451200496564
Energy: 1.5517746023404086
Energy: 1.548688995132081
Energy: 1.5436701612950012
Energy: 1.548688995132081
Energy: 1.39064573597266
Energy: 1.6608928931589841
Energy: 1.543873598923048
Energy: 1.660892893160498
Energy: 1.4654046461217407
Energy: 1.3638075899803952
Energy: 1.3745409898435803
Energy: 1.363807589977367
Energy: 1.3792041187227861
Energy: 1.6000884935703792
Energy: 1.698451693934539
Energy: 1.60008849357265
Energy: 1.7138960498277496
Energy: 1.4740911608610905
Energy: 1.3779928546201643
Energy: 1.4740911608595766
Energy: 1.3779239235664067
Energy: 1.4421890752646656
Energy: 1.3764983641952133
Energy: 1.4421890752646656
Energy: 1.380628895914867
Energy: 1.3788566069515793
Energy: 1.3752388032868161
Energy: 1.3788566069500652
Energy: 1.5570780906027482
Energy: 1.4792708093801257
Energy: 1.544447003497114
Energy: 1.4792708093786116
Energy: 1.3799653349167007
Energy: 1.5974142122926307
Energy: 1.7941043151132134
Energy: 1.5974142122933879

minimum gb energy = 1.3630233305688677 eV
minimum distance =  2.24146508254557 Angstroms
sigma value = 73


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

Energy: 1.4701729854186778
Energy: 1.469674270805757
Energy: 1.859979031209744
Energy: 1.4696742708069583
Energy: 1.4856071860414661
Energy: 1.4940790844187686
Energy: 1.381292954991875
Energy: 1.4940790844187686
Energy: 1.3960165692698858
Energy: 1.3754007384998495
Energy: 1.384816991859589
Energy: 1.3754007385010505
Energy: 1.3900319100827858
Energy: 1.3880654253737852
Energy: 1.3958695724784258
Energy: 1.3880654253737852
Energy: 1.4702549189865437
Energy: 1.4960873356356146
Energy: 1.4543132315892386
Energy: 1.4960873356392181
Energy: 1.401236448768594
Energy: 1.3860529110969726
Energy: 1.6770916237228306
Energy: 1.3860529110969726
Energy: 1.7688133816438498
Energy: 1.5829690520643147
Energy: 1.387248169923819
Energy: 1.582969052065516
Energy: 1.385732997172805
Energy: 1.3674407586191064
Energy: 1.6495740924893563
Energy: 1.3674407586191064
Energy: 1.737215659502082
Energy: 1.3701436112086791
Energy: 1.374367696039813
Energy: 1.3701436112086791
Energy: 1.3898652815948542
Energy: 1.4964033901766731
Energy: 1.3888274345998246
Energy: 1.496403390174271
Energy: 1.3840748807925938
Energy: 1.3695919353725727
Energy: 1.6542853858003845
Energy: 1.3695919353725727
Energy: 1.5515103997380812
Energy: 1.3879031610731982
Energy: 1.3893783301468698
Energy: 1.3879031610731982
Energy: 1.396415506539435
Energy: 1.475485446604661
Energy: 1.6333821515477813
Energy: 1.475485446605862
Energy: 1.7227816168657957
Energy: 1.5644394625189149
Energy: 1.4067685103171683
Energy: 1.5644394625213172
Energy: 1.3850529776804807
Energy: 1.5935279808049045
Energy: 1.636645024247017
Energy: 1.5935279808061056
Energy: 1.655138633058929
Energy: 1.3693348083788146
Energy: 1.3853761232865842
Energy: 1.3693348083776136
Energy: 1.4774152475607965
Energy: 1.4706790022424014
Energy: 1.3961868313631265
Energy: 1.4706790022448037
Energy: 1.4747515841048942
Energy: 1.3869247692868045
Energy: 1.3951961461395341
Energy: 1.3869247692868045
Energy: 1.5562728416795155
Energy: 1.368146334459725
Energy: 1.3878617944417295
Energy: 1.3681463344585238
Energy: 1.3817969653682662
Energy: 1.514348664442172
Energy: 1.7248440237523317
Energy: 1.5143486644433735
Energy: 1.703781956129954
Energy: 1.385064726628747
Energy: 1.404849498655449
Energy: 1.385064726628747
Energy: 1.3952881529218006
Energy: 1.4934446457008157
Energy: 1.566544102678846
Energy: 1.4934446457020167

minimum gb energy = 1.3674407586191064 eV
minimum distance =  2.25640520354632 Angstroms
sigma value = 7


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

Energy: 1.4081467364744276
Energy: 1.4083640565066127
Energy: 1.8590954592259894
Energy: 1.4083640565066127
Energy: 1.737055061628487
Energy: 1.4828586492851925
Energy: 1.3885019786002424
Energy: 1.4828586492860416
Energy: 1.3881224655940425
Energy: 1.4081148177237637
Energy: 1.4067679220517784
Energy: 1.408114817721216
Energy: 1.451216373104289
Energy: 1.5002611057265371
Energy: 1.3881664757138659
Energy: 1.5002611057256876
Energy: 1.3870441250973555
Energy: 1.4768389129713608
Energy: 1.4182930139032828
Energy: 1.4768389129679633
Energy: 1.3869709466326354
Energy: 1.4096880000598857
Energy: 1.70226354784888
Energy: 1.409688000058187
Energy: 1.5558053183603198
Energy: 1.5523161236659093
Energy: 1.4369848969499788
Energy: 1.5523161236684573
Energy: 1.3870762628786306
Energy: 1.4102501904180447
Energy: 1.7535201828356153
Energy: 1.4102501904171953
Energy: 1.5707680554966577
Energy: 1.487432026343276
Energy: 1.395622935335112
Energy: 1.4874320263424268
Energy: 1.3835007517402222
Energy: 1.5123545195797103
Energy: 1.5377212514737764
Energy: 1.5123545195763133
Energy: 1.431252764161169
Energy: 1.4104968597608611
Energy: 1.4378470016916438
Energy: 1.4104968597769982
Energy: 1.4336776585154392
Energy: 1.4767782376286374
Energy: 1.4457150627964686
Energy: 1.476778237630336
Energy: 1.4213582671319203
Energy: 1.4132199962335343
Energy: 1.4386353276637958
Energy: 1.4132199962352332
Energy: 1.416157443448958
Energy: 1.404133062819463
Energy: 1.4354802025387454
Energy: 1.4041330628211617
Energy: 1.381004676412853
Energy: 1.6317842312542656
Energy: 1.5589027563226538
Energy: 1.631784231255115
Energy: 1.8460414598929409
Energy: 1.4044709312104542
Energy: 1.3968473707534401
Energy: 1.4044709312121526
Energy: 1.3805660364279912
Energy: 1.4772012353232746
Energy: 1.4793321105137762
Energy: 1.4772012353198776
Energy: 1.4048271640208914
Energy: 1.4624947014556149
Energy: 1.4403238089199164
Energy: 1.462494701453067
Energy: 1.3806785780456161
Energy: 1.410928936967941
Energy: 1.4434560492555202
Energy: 1.410928936973037
Energy: 1.382707259576411
Energy: 1.4805861402687177
Energy: 1.4410686997590443
Energy: 1.480586140265359
Energy: 1.4321134349298679
Energy: 1.429668790076659
Energy: 1.3954744283490559
Energy: 1.4296687900758096
Energy: 1.3827211778518853
Energy: 1.4082552381147821
Energy: 1.5447504805641858
Energy: 1.4082552381190285
Energy: 1.7077132509140605
Energy: 1.488136301443919
Energy: 1.4385314874060533
Energy: 1.4881363014464672
Energy: 1.4114847515888596
Energy: 1.4095949322561916
Energy: 1.6953575513151202
Energy: 1.4095949322510957
Energy: 1.4209333201968577
Energy: 1.480678239089371
Energy: 1.4366632697209993
Energy: 1.4806782390885214
Energy: 1.438217723695927
Energy: 1.409747025638632
Energy: 1.4186027422975886
Energy: 1.4097470256343854
Energy: 1.3877636489051788
Energy: 1.5045145215712847
Energy: 1.5537799109455954
Energy: 1.5045145215695863
Energy: 1.4577882902953354
Energy: 1.4769721821982846
Energy: 1.3882392040156206
Energy: 1.4769721822033808
Energy: 1.389885894484456
Energy: 1.4096065931517785
Energy: 1.6088294888444687
Energy: 1.4096065931534774
Energy: 1.4109529516044226
Energy: 1.4285521164159074
Energy: 1.3879193873059372
Energy: 1.4285521164184556
Energy: 1.38959841398011
Energy: 1.4095604634198287
Energy: 1.6694502615140703
Energy: 1.4095604634164312

minimum gb energy = 1.3805660364279912 eV
minimum distance =  2.24146473694636 Angstroms
sigma value = 29


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

Energy: 1.3556603009853427
Energy: 1.3543814442531847
Energy: 1.8776375329592412
Energy: 1.3543814442528888
Energy: 1.309384451376273
Energy: 1.3601935251057737
Energy: 1.3549474044246106
Energy: 1.3601935251069244
Energy: 1.3908681652648274
Energy: 1.4192737806965763
Energy: 1.4939772790571177
Energy: 1.4192737806965763
Energy: 1.3621210567892617
Energy: 1.314417051302849
Energy: 1.357670482189229
Energy: 1.314417051302553
Energy: 1.3560477621419726
Energy: 1.3949914235284646
Energy: 1.393177300699277
Energy: 1.394991423527873
Energy: 1.3560884245798257
Energy: 1.4176864116810484
Energy: 1.3558219944189334
Energy: 1.4176864116810484
Energy: 1.355254083530471
Energy: 1.395017267576352
Energy: 1.356021758555526
Energy: 1.3950172675757602
Energy: 1.3577973939010093
Energy: 1.3135166694272529
Energy: 1.3559495128032553
Energy: 1.3135166694275489
Energy: 1.4940016889968462
Energy: 1.4193315780011944
Energy: 1.3933736535813768
Energy: 1.4193315780014901

minimum gb energy = 1.309384451376273 eV
minimum distance =  2.28994307722337 Angstroms
sigma value = 5


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

Energy: 1.344196706501597
Energy: 1.3424460528215276
Energy: 1.8184670355696972
Energy: 1.3424460528223299
Energy: 1.533616878492108
Energy: 1.4150757717013327
Energy: 1.283112532358962
Energy: 1.4150757716973215
Energy: 1.2974470521428438
Energy: 1.3434594170596472
Energy: 1.5507210221831884
Energy: 1.3434594170524263
Energy: 1.3254169521078263
Energy: 1.406014238831781
Energy: 1.3146633561397396
Energy: 1.4060142388285717
Energy: 1.3122035274219135
Energy: 1.4128615023829951
Energy: 1.6390402551509122
Energy: 1.4128615023845996
Energy: 1.3371668206101275
Energy: 1.3513584609723968
Energy: 1.3027848807911901
Energy: 1.35135846096999
Energy: 1.3012768400253751
Energy: 1.4207921305246944
Energy: 1.3004936645674052
Energy: 1.420792130527904
Energy: 1.311181748559991
Energy: 1.3530457684831727
Energy: 1.295074259861881
Energy: 1.3530457684847772
Energy: 1.3131984547314752
Energy: 1.4095382956757077
Energy: 1.2988685340373343
Energy: 1.4095382956781146
Energy: 1.3241626353758047
Energy: 1.409394595030855
Energy: 1.3406536243750635
Energy: 1.409394595033262
Energy: 1.3175130396900383
Energy: 1.3534936228181862
Energy: 1.2945200017052658
Energy: 1.3534936228230001
Energy: 1.3049090610222316
Energy: 1.3632050888756375
Energy: 1.4832867829098164
Energy: 1.3632050888835876
Energy: 1.3530327486084717
Energy: 1.3501752823771074
Energy: 1.3495140753214392
Energy: 1.3501752823779096
Energy: 1.3037970748778989
Energy: 1.3505998546057922
Energy: 1.4062409015947117
Energy: 1.350599854602583
Energy: 1.6317025113775292
Energy: 1.4093849940737966
Energy: 1.2947861902600553
Energy: 1.4093849940713896
Energy: 1.3178187289794614
Energy: 1.3317326098491233
Energy: 1.5441506730502508
Energy: 1.331732609850728
Energy: 1.548004523209486
Energy: 1.417855882763169
Energy: 1.3032443410048156
Energy: 1.4178558827679828
Energy: 1.3073798125974925
Energy: 1.3510728055393035
Energy: 1.4413211830520432
Energy: 1.3510728055360943
Energy: 1.3165009494401332
Energy: 1.4225826734967308
Energy: 1.3059753142789396
Energy: 1.4225826734911151
Energy: 1.293681047515261
Energy: 1.4119182377756467
Energy: 1.3341484218365103
Energy: 1.4119182377700306
Energy: 1.2896798693845861
Energy: 1.3517838987742394
Energy: 1.318869440305311
Energy: 1.3517838987686233
Energy: 1.3186789761698037
Energy: 1.4079114062116087
Energy: 1.312333709698328
Energy: 1.4079114062092017
Energy: 1.286638023385495
Energy: 1.3518396461996394
Energy: 1.2889335550816412
Energy: 1.3518396461988371
Energy: 1.466485188672691
Energy: 1.34853870245842
Energy: 1.31052924046589
Energy: 1.3485387024560131
Energy: 1.4746736829517333
Energy: 1.3277726826481924
Energy: 1.2970305128037487
Energy: 1.3277726826497969
Energy: 1.3324204325108098
Energy: 1.3504603759674934
Energy: 1.3035782843201125
Energy: 1.350460375969098
Energy: 1.2865863022228894
Energy: 1.3982235639144291
Energy: 1.4266447341215802
Energy: 1.3982235639096152
Energy: 1.3556669305274274
Energy: 1.390430520362517
Energy: 1.3156616457656063
Energy: 1.3904305203528893
Energy: 1.2938960687108318
Energy: 1.4168295570601235
Energy: 1.4416680556076649
Energy: 1.4168295570601235
Energy: 1.5432080510494726
Energy: 1.3500192674839355
Energy: 1.3119355204717358
Energy: 1.3500192674863425
Energy: 1.3101662055306578
Energy: 1.334882013822961
Energy: 1.450706194502495
Energy: 1.3348820138269721
Energy: 1.5435905110682424
Energy: 1.3905043524460332
Energy: 1.3019303219620955
Energy: 1.3905043524508471
Energy: 1.3222395435983694
Energy: 1.4720465619377079
Energy: 1.291417838062934
Energy: 1.4720465619834384

minimum gb energy = 1.283112532358962 eV
minimum distance =  2.23555983862803 Angstroms
sigma value = 1


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

Energy: 1.292294257187899
Energy: 1.292087513901579
Energy: 1.8385306090841347
Energy: 1.2920875138993606
Energy: 1.3255455151422824
Energy: 1.317307971675502
Energy: 1.2513133171156143
Energy: 1.3173079716777205
Energy: 1.227284185072499
Energy: 1.2920216519435221
Energy: 1.4598780255291077
Energy: 1.2920216519435221
Energy: 1.3137892546797845
Energy: 1.3735366359129166
Energy: 1.2388038516608488
Energy: 1.3735366359118073
Energy: 1.2261157653260517
Energy: 1.4178940169410115
Energy: 1.2782623149741918
Energy: 1.4178940169421206
Energy: 1.222709489119095
Energy: 1.2963759723728872
Energy: 1.2384697320029168
Energy: 1.2963759723695594
Energy: 1.2260545555774425
Energy: 1.4167321475499757
Energy: 1.2880133537091312
Energy: 1.4167321475488666
Energy: 1.2262076051478061
Energy: 1.2961014323619717
Energy: 1.336625619956268
Energy: 1.2961014323652997
Energy: 1.2917763998659169
Energy: 1.2829637852182905
Energy: 1.2966624692689472
Energy: 1.2829637852138536
Energy: 1.2916656889023763
Energy: 1.2827343163868545
Energy: 1.3157572282790448
Energy: 1.282734316387964
Energy: 1.2262394679302262
Energy: 1.2959742060973998
Energy: 1.2661947404232488
Energy: 1.2959742061007276
Energy: 1.2261321309591244
Energy: 1.4166847506327742
Energy: 1.2886078989829262
Energy: 1.4166847506372113
Energy: 1.2225183633265848
Energy: 1.2966714098441452
Energy: 1.2383760489544895
Energy: 1.2966714098452545
Energy: 1.2260811464443793
Energy: 1.4178168429166904
Energy: 1.2900909001918741
Energy: 1.4178168429177997
Energy: 1.3132618760927284
Energy: 1.373619340199387
Energy: 1.2388060131420018
Energy: 1.3736193402016057
Energy: 1.227306644575834
Energy: 1.2922266822181852
Energy: 1.3711440840082683
Energy: 1.2922266822215134
Energy: 1.3254014521909463
Energy: 1.3174189652752506
Energy: 1.251240948411565
Energy: 1.317418965290781
Energy: 1.292294257187899
Energy: 1.292087513901579
Energy: 1.5563364557757509
Energy: 1.2920875138982513
Energy: 1.3255455151422824
Energy: 1.317307971675502
Energy: 1.2513133171156143
Energy: 1.3173079716777205
Energy: 1.2272841850736083
Energy: 1.2920216519435221
Energy: 1.7056316516761985
Energy: 1.2920216519435221
Energy: 1.3137892546930958
Energy: 1.3735366359129166
Energy: 1.2388038516608488
Energy: 1.3735366359118073
Energy: 1.2261157653271613
Energy: 1.4178940169410115
Energy: 1.2534040531537995
Energy: 1.4178940169421206
Energy: 1.222709489117986
Energy: 1.2963759723728872
Energy: 1.2384697320018077
Energy: 1.2963759723695594
Energy: 1.2260545555774425
Energy: 1.4167321475499757
Energy: 1.301282163415466
Energy: 1.4167321475488666

minimum gb energy = 1.2225183633265848 eV
minimum distance =  2.25615167683811 Angstroms
sigma value = 17


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

Energy: 1.2814374684582372
Energy: 1.281471446907316
Energy: 1.8029375421594742
Energy: 1.2814714469066306
Energy: 1.4955048147197194
Energy: 1.263769631763149
Energy: 1.2409165859440816
Energy: 1.2637696317562928
Energy: 1.237549436570242
Energy: 1.2677211254625558
Energy: 1.533456942048718
Energy: 1.267721125463927
Energy: 1.2953994041837646
Energy: 1.2269376598914499
Energy: 1.2345185183040432
Energy: 1.2269376598941923
Energy: 1.2322239687443888
Energy: 1.3653705331258341
Energy: 1.2991498510550492
Energy: 1.3653705331292623
Energy: 1.2301738393524109
Energy: 1.242304305396154
Energy: 1.249859942102194
Energy: 1.2423043053995821
Energy: 1.2463395703115248
Energy: 1.3457224446150764
Energy: 1.268159462678188
Energy: 1.345722444614391
Energy: 1.2250645716755928
Energy: 1.330819710335008
Energy: 1.2392996471161877
Energy: 1.330819710337065
Energy: 1.2836142084537578
Energy: 1.3253229046236916
Energy: 1.3080263872193034
Energy: 1.3253229046182067
Energy: 1.2869114028164355
Energy: 1.3257802030988912
Energy: 1.2421499850822888
Energy: 1.3257802031023194
Energy: 1.2369274758950999
Energy: 1.3021633630878626
Energy: 1.236706066986493
Energy: 1.3021633630864915
Energy: 1.2394780515286572
Energy: 1.3345825211055846
Energy: 1.2489006558032463
Energy: 1.3345825211055846
Energy: 1.2274370024708545
Energy: 1.3142835876609054
Energy: 1.2460440628890215
Energy: 1.3142835876588483
Energy: 1.244751870347475
Energy: 1.3632466210207705
Energy: 1.2813565746671403
Energy: 1.363246621021456
Energy: 1.2361013994828038
Energy: 1.2335029174848837
Energy: 1.293338106452951
Energy: 1.2335029174780272
Energy: 1.2368307220204315
Energy: 1.2693953836076195
Energy: 1.2797258204887465
Energy: 1.2693953836076195
Energy: 1.2595850663896178
Energy: 1.237953928604046
Energy: 1.2464234506515024
Energy: 1.2379539286033603
Energy: 1.228456156288271
Energy: 1.2822182348125617
Energy: 1.2541628473152686
Energy: 1.282218234811876
Energy: 1.4476464276704322
Energy: 1.3406796255863151
Energy: 1.235232799186299
Energy: 1.3406796255835727
Energy: 1.2439231708279634
Energy: 1.2687363458094756
Energy: 1.3166830412693862
Energy: 1.2687363458094756
Energy: 1.2586317366104391
Energy: 1.2542984300516953
Energy: 1.2299183057696406
Energy: 1.2542984300523812
Energy: 1.2289072992668442
Energy: 1.2831211130222455
Energy: 1.3997612134760904
Energy: 1.2831211130229314
Energy: 1.2803119212023675
Energy: 1.2418772324833984
Energy: 1.2460441678834493
Energy: 1.2418772324833984
Energy: 1.2361904454589665
Energy: 1.3483933322170116
Energy: 1.4616169766634242
Energy: 1.3483933322197545
Energy: 1.2727254438742888
Energy: 1.2824190976615528
Energy: 1.2307512793612843
Energy: 1.282419097662924
Energy: 1.247642016441079
Energy: 1.367015381934204
Energy: 1.2482133351120843
Energy: 1.3670153819335182
Energy: 1.4420407150301835
Energy: 1.3186218873855395
Energy: 1.238923113450122
Energy: 1.3186218873862254
Energy: 1.297114268791657
Energy: 1.4603443890711403
Energy: 1.2389717743259532
Energy: 1.4603443890697692
Energy: 1.281887591843641
Energy: 1.3629770416398286
Energy: 1.25117833355296
Energy: 1.3629770416412
Energy: 1.2481294905063935
Energy: 1.3141993538858698
Energy: 1.3099526649832582
Energy: 1.3141993538844985
Energy: 1.2370393381539753
Energy: 1.3630369202154236
Energy: 1.239604800757446
Energy: 1.3630369202133665
Energy: 1.2395542917195028
Energy: 1.3047039464062808
Energy: 1.2319655534867433
Energy: 1.3047039464036005
Energy: 1.2386767901954698
Energy: 1.3264232212696514
Energy: 1.471580361300895
Energy: 1.3264232212710225
Energy: 1.311820954882802
Energy: 1.4786929129220896
Energy: 1.2482825036263612
Energy: 1.4786929129220896
Energy: 1.2334356545410805
Energy: 1.2838002881555741
Energy: 1.2825290328472263
Energy: 1.2838002881569452
Energy: 1.2745966928838734
Energy: 1.3480287979197207
Energy: 1.2443082575380975
Energy: 1.3480287979217775
Energy: 1.2461535192590698
Energy: 1.243295447664291
Energy: 1.233640507816473
Energy: 1.2432954476636056
Energy: 1.2793218168329454
Energy: 1.3675713521145265
Energy: 1.2501541454570502
Energy: 1.3675713521158979

minimum gb energy = 1.2250645716755928 eV
minimum distance =  2.24786342812707 Angstroms
sigma value = 89


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

Energy: 1.1330074444983531
Energy: 1.1328745975219952
Energy: 1.8230874269676962
Energy: 1.132874597523789
Energy: 1.149838824055168
Energy: 1.1676107113943817
Energy: 1.1519453865652467
Energy: 1.1676107113943817
Energy: 1.1492129276301923
Energy: 1.3420295574749193
Energy: 1.8894125663550365
Energy: 1.3420295574731254
Energy: 1.1387811496446112
Energy: 1.1676015557686776
Energy: 1.152338105411211
Energy: 1.1676015557686776
Energy: 1.1488583218291517
Energy: 1.2566216420502054
Energy: 1.2380868515227694
Energy: 1.2566216420502054
Energy: 1.148914597078188
Energy: 1.1344165541530788
Energy: 1.1371776822840396
Energy: 1.134416554151285
Energy: 1.1496075821412743
Energy: 1.3418743847798795
Energy: 1.133264699477141
Energy: 1.3418743847798795
Energy: 1.164108878109021
Energy: 1.2219848531108957
Energy: 1.1524323792034747
Energy: 1.2219848531126487
Energy: 1.1491226324128556
Energy: 1.257123145460126
Energy: 1.1799837133830164
Energy: 1.257123145460126
Energy: 1.1697695530771397
Energy: 1.1333286825880164
Energy: 1.1496835363419298
Energy: 1.1333286825880164
Energy: 1.1328571176518942
Energy: 1.1688501104480216
Energy: 1.1490425546693595
Energy: 1.1688501104480216
Energy: 1.1327938732543517
Energy: 1.3426573899450913
Energy: 1.1528814574040405
Energy: 1.3426573899432974
Energy: 1.1490273170515741
Energy: 1.136298531688819
Energy: 1.1376442642225946
Energy: 1.136298531688819
Energy: 1.1348409352897597
Energy: 1.2534255417264255
Energy: 1.1339072016665686
Energy: 1.2534255417282194
Energy: 1.1609570268310305
Energy: 1.1363628234258292
Energy: 1.149361728985544
Energy: 1.136362823424035

minimum gb energy = 1.1327938732543517 eV
minimum distance =  2.26698419361209 Angstroms
sigma value = 13


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

Energy: 1.133739776167758
Energy: 1.094315758023518
Energy: 1.7361180675720833
Energy: 1.0943157580197587
Energy: 1.3227141265982951
Energy: 1.120879479667988
Energy: 1.0913514781644091
Energy: 1.120879479677011
Energy: 1.096308634769633
Energy: 1.0949177759366726
Energy: 1.3204670734211281
Energy: 1.0949177759411843
Energy: 1.0993739586362188
Energy: 1.3131090974995503
Energy: 1.0853378674704521
Energy: 1.3131090974965425
Energy: 1.1027243988786004
Energy: 1.1866282477418424
Energy: 1.1573525297767375
Energy: 1.1866282477343233
Energy: 1.0863731967631853
Energy: 1.1207011393571618
Energy: 1.1098587904566126
Energy: 1.1207011393609212
Energy: 1.103079625471884
Energy: 1.1864179118290008
Energy: 1.3172044892593746
Energy: 1.1864179118417835
Energy: 1.0793549621236544
Energy: 1.3132252225088303
Energy: 1.1101388700029349
Energy: 1.3132252225005592
Energy: 1.1095208487286174
Energy: 1.186746424708747
Energy: 1.4079236661139563
Energy: 1.1867464247064912
Energy: 1.3075325790101735
Energy: 1.3928904594298785
Energy: 1.0853537475455424
Energy: 1.3928904594411575
Energy: 1.103088667795703
Energy: 1.2089550876960573
Energy: 1.1075498779814095
Energy: 1.208955087687034
Energy: 1.1374524480800126
Energy: 1.208151225620529
Energy: 1.0834333849747495
Energy: 1.2081512256152653
Energy: 1.1451426192533074
Energy: 1.1131371127014125
Energy: 1.1150223501844136
Energy: 1.1131371127472798
Energy: 1.5166344288792206
Energy: 1.2079968117521611
Energy: 1.0839371633869233
Energy: 1.2079968117551687
Energy: 1.1030499120989283
Energy: 1.0947461891820296
Energy: 1.0993423440691248
Energy: 1.0947461891753307
Energy: 1.093038976527895
Energy: 1.2084194827443995
Energy: 1.0883403119546076
Energy: 1.208419482748911
Energy: 1.1091041077495487
Energy: 1.1785983590659626
Energy: 1.090241470471594
Energy: 1.178598359062955
Energy: 1.1048251630796817
Energy: 1.1824051689729702
Energy: 1.123364356651763
Energy: 1.1824051689812414
Energy: 1.1086258116956713
Energy: 1.1143414931391362
Energy: 1.1235976358438806
Energy: 1.114341493143648
Energy: 1.1086661235066542
Energy: 1.1146038780182201
Energy: 1.1235323834771935
Energy: 1.1146038780159644
Energy: 1.104716730392402
Energy: 1.1824810530662926
Energy: 1.1234086677966635
Energy: 1.1824810530677963
Energy: 1.1092808208947416
Energy: 1.1785719684698786
Energy: 1.0889877503544252
Energy: 1.1785719684721343
Energy: 1.0929588352044979
Energy: 1.2087144070600575
Energy: 1.0890193353696214
Energy: 1.2087144070690805
Energy: 1.1031096833863938
Energy: 1.0946265831986866
Energy: 1.096191472145925
Energy: 1.0946265831949267
Energy: 1.5161100538055443
Energy: 1.2079827077254972
Energy: 1.0838553332661351
Energy: 1.2079827077307606
Energy: 1.1476813959188945
Energy: 1.113460206872424
Energy: 1.0948406840986622
Energy: 1.1134602068821988
Energy: 1.13734161092202
Energy: 1.2082830656216066
Energy: 1.0831410868010305
Energy: 1.2082830656231105
Energy: 1.1093522296548375
Energy: 1.2092056282348498
Energy: 1.108160314961663
Energy: 1.2092056282303385
Energy: 1.3077735511856408
Energy: 1.3931439317987184
Energy: 1.0853446741406212
Energy: 1.3931439318054857
Energy: 1.1097666511449973
Energy: 1.1867370616763593
Energy: 1.515661374381462
Energy: 1.1867370616680881
Energy: 1.079617189866714
Energy: 1.31298361735108
Energy: 1.110024856779518
Energy: 1.3129836173608551
Energy: 1.1030958732727412
Energy: 1.1864854419976363
Energy: 1.316194741491953
Energy: 1.186485442000644
Energy: 1.0862654314177382
Energy: 1.120832423929387
Energy: 1.1098866676976604
Energy: 1.1208324239301388
Energy: 1.103062373888368
Energy: 1.1868862310377726
Energy: 1.160765625366076
Energy: 1.1868862310392765
Energy: 1.0990154775786471
Energy: 1.3132225735960303
Energy: 1.0854109800173652
Energy: 1.3132225735922707

minimum gb energy = 1.0793549621236544 eV
minimum distance =  2.21506207597836 Angstroms
sigma value = 37


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

Energy: 1.0384719934558206
Energy: 1.0380934443857586
Energy: 1.733059935090593
Energy: 1.0380934443857586
Energy: 1.116568791535194
Energy: 1.1694701247759371
Energy: 1.0011378862044769
Energy: 1.1694701247759371
Energy: 0.9906115672528888
Energy: 1.0764605354507781
Energy: 1.718359415425587
Energy: 1.0764605354507781
Energy: 0.9997512669802784
Energy: 1.0465482558799126
Energy: 1.001317102935581
Energy: 1.0465482558799126
Energy: 0.9993848151821795
Energy: 1.0378503865654702
Energy: 1.0458495932083416
Energy: 1.0378503865641768
Energy: 0.9944168345095847
Energy: 1.169013055078733
Energy: 0.9941868880737796
Energy: 1.1690130550800268
Energy: 1.0008558841927109
Energy: 1.108039082385527
Energy: 1.1161040256706787
Energy: 1.108039082385527
Energy: 0.9997490342121266
Energy: 1.0390902917462903
Energy: 1.0422195121848383
Energy: 1.0390902917462903
Energy: 0.9997545581998702
Energy: 1.1684563822594614
Energy: 1.5056262773375957
Energy: 1.1684563822620486
Energy: 1.3960331909161805
Energy: 1.0780597861736696
Energy: 0.9941830169823458
Energy: 1.078059786172376
Energy: 1.002630484457819
Energy: 1.0880841005767734
Energy: 1.0007743286475355
Energy: 1.0880841005767734
Energy: 1.365282589136562
Energy: 1.0383648939655434
Energy: 1.001182478382417
Energy: 1.0383648939668373
Energy: 0.9907936394947847
Energy: 1.168410130093922
Energy: 1.0134443898236511
Energy: 1.1684101300926282
Energy: 1.3242029732303728
Energy: 1.0881845510483652
Energy: 0.9993776472423417
Energy: 1.0881845510483652
Energy: 1.0375862694299731
Energy: 1.0869443812385222
Energy: 0.9996149656010325
Energy: 1.0869443812385222
Energy: 1.0383027914263845
Energy: 1.1690053257503599
Energy: 1.0014592782814473
Energy: 1.1690053257503599
Energy: 0.9907785341633663
Energy: 1.1686756504628282
Energy: 0.9942825462234032
Energy: 1.1686756504641218
Energy: 0.9911400862124152
Energy: 1.0865901074420379
Energy: 0.9992629614384378
Energy: 1.0865901074420379
Energy: 1.00125460205374
Energy: 1.0401326421594679
Energy: 0.9914981849735521
Energy: 1.0401326421607615
Energy: 0.9913613368072588
Energy: 1.038404182532959
Energy: 0.9907087514652047
Energy: 1.0384041825316654

minimum gb energy = 0.9906115672528888 eV
minimum distance =  2.28304244990864 Angstroms
sigma value = 25


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

Energy: 1.0977157388611678
Energy: 1.0449407074165713
Energy: 1.634238106520909
Energy: 1.044940707420612
Energy: 1.3043573101574382
Energy: 1.0571720583305837
Energy: 0.9170294444403353
Energy: 1.0571720583325583
Energy: 1.0425923210954515
Energy: 0.9282012645954856
Energy: 1.2059996378798497
Energy: 0.9282012645964957
Energy: 1.1061379502302715
Energy: 1.0761864069885034
Energy: 0.922640160163112
Energy: 1.076186406991534
Energy: 0.9333560610252786
Energy: 0.9380160291135543
Energy: 1.0517803372272994
Energy: 0.9380160291155746
Energy: 1.019906342856107
Energy: 1.0429003194358084
Energy: 0.9332476445738238
Energy: 1.0429003194418693
Energy: 0.9199462710244671
Energy: 0.9110489772968468
Energy: 1.0783039867643704
Energy: 0.911048977297857
Energy: 0.9063293644837215
Energy: 1.0833635044050796
Energy: 1.0445224719695627
Energy: 1.0833635044040693
Energy: 0.9185597574035758
Energy: 0.9442256875322306
Energy: 1.409278189283117
Energy: 0.9442256875322306
Energy: 0.8904217723740132
Energy: 1.0393012118405438
Energy: 0.9670788902056384
Energy: 1.0393012118354927
Energy: 0.9198701278826513
Energy: 0.9112186215031557
Energy: 1.4122679155015465
Energy: 0.9112186215001251
Energy: 1.2071082941010023
Energy: 1.2938189016313502
Energy: 1.0445288299737563
Energy: 1.2938189016323602
Energy: 0.9247977715288668
Energy: 0.9552950342687665
Energy: 1.4171974721509188
Energy: 0.9552950342728072
Energy: 1.208897276010222
Energy: 1.136447168293716
Energy: 0.9332358365469261
Energy: 1.136447168293716
Energy: 0.9367561071862156
Energy: 0.912019820794241
Energy: 1.0208970094288885
Energy: 0.9120198207962615
Energy: 1.330050416725521
Energy: 1.294150933646545
Energy: 0.9180308402177542
Energy: 1.2941509336445247
Energy: 1.0501212200811443
Energy: 1.083264193960251
Energy: 0.90675105272835
Energy: 1.0832641939572207
Energy: 1.3140982047007828
Energy: 0.9357714662659722
Energy: 0.9170129138885966
Energy: 0.9357714662700128
Energy: 1.1051932993828661
Energy: 0.9291844382010092
Energy: 0.8970618657730046
Energy: 0.9291844381989889
Energy: 1.5112736332394707
Energy: 1.1863917408918963
Energy: 0.9180684524205942
Energy: 1.1863917408918963
Energy: 1.0503805020297639
Energy: 1.0706232339440362
Energy: 0.8929204719167022
Energy: 1.0706232339450463
Energy: 1.0440591429137724
Energy: 0.955506476458236
Energy: 0.9265205533386862
Energy: 0.9555064764622766
Energy: 0.9370490274636263
Energy: 1.0177098438123946
Energy: 1.2084146689012614
Energy: 1.0177098438114303
Energy: 1.037298298825142
Energy: 1.0737681024002517
Energy: 0.9316766232314656
Energy: 1.0737681023992416
Energy: 0.9176568865875091
Energy: 1.071111167140805
Energy: 1.3226256349963974
Energy: 1.071111167140805
Energy: 0.8986337178556946
Energy: 0.9655729099749428
Energy: 1.0425076100576998
Energy: 0.965572909975953

minimum gb energy = 0.8904217723740132 eV
minimum distance =  2.28644731931402 Angstroms
sigma value = 41


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

Energy: 1.2427669795135448
Energy: 0.8547781671526609
Energy: 1.5861887764312275
Energy: 0.8547781671510045
Energy: 1.2696077036570097
Energy: 0.8361206906278523
Energy: 0.8276150625829203
Energy: 0.836120690626196
Energy: 0.8524476784473549
Energy: 0.8246680128588031
Energy: 1.0247678542813048
Energy: 0.8246680128621158
Energy: 1.076203378474968
Energy: 0.8366041235567774
Energy: 0.8276063870491331
Energy: 0.8366041235559493
Energy: 0.8218680690380805
Energy: 1.0667621369409168
Energy: 0.8470245898684058
Energy: 1.0667621369400886
Energy: 0.8435455870922576
Energy: 1.0346800644465857
Energy: 0.8277096767362476
Energy: 1.0346800644457574
Energy: 0.8266718186335911
Energy: 1.0343339417863375
Energy: 0.8632449653505105
Energy: 1.0343339417871658
Energy: 0.8117145005386963
Energy: 0.8536283263383603
Energy: 0.8232476304165118
Energy: 0.8536283263391131
Energy: 0.8308201814565153
Energy: 0.8549661863818788
Energy: 1.162149444032944
Energy: 0.8549661863810506
Energy: 0.814007582857412
Energy: 0.8254927332899986
Energy: 0.8537380480757824
Energy: 0.8254927332899986
Energy: 0.8267584188672035
Energy: 0.8362610844202834
Energy: 1.428974260724986
Energy: 0.8362610844202834
Energy: 0.8123026920602148
Energy: 0.8561818074629308
Energy: 1.2441337368903544
Energy: 0.8561818074563055
Energy: 0.8308857416515318
Energy: 0.9452344441346592
Energy: 1.515136282105333
Energy: 0.9452344441354874
Energy: 1.0669500771192664
Energy: 0.9544943681159411
Energy: 0.8536856305023794
Energy: 0.9544943681184257
Energy: 0.8266838853981765
Energy: 0.8362954367038409
Energy: 1.2568129004293975
Energy: 0.836295436704669
Energy: 1.069715011251988
Energy: 1.0470001267964677
Energy: 0.8231147461903325
Energy: 1.0470001267972957
Energy: 0.8309428190758542
Energy: 0.9413436390358623
Energy: 1.1497231906401044
Energy: 0.9413436390350342
Energy: 1.0666596886123105
Energy: 0.9394905929013359
Energy: 0.8279610663829143
Energy: 0.9394905929063049
Energy: 0.826717564489809
Energy: 0.8536182600658446
Energy: 0.8120055230086686
Energy: 0.8536182600691572
Energy: 1.0713020837898022
Energy: 1.0477943029129342
Energy: 0.8307168346306163
Energy: 1.0477943029129342
Energy: 0.8574188472503212
Energy: 0.9410350870762538
Energy: 0.8187112293910201
Energy: 0.9410350870770822
Energy: 1.4239953412460544
Energy: 0.8762519127406263
Energy: 0.8276814893339107
Energy: 0.8762519127414544
Energy: 1.2472451667316535
Energy: 1.0500075243684799
Energy: 0.8204801282606247
Energy: 1.0500075243676514
Energy: 1.2693130634034095
Energy: 1.129334345219851
Energy: 0.8305565007301705
Energy: 1.129334345209913
Energy: 0.8571687300507106
Energy: 0.9416880214046126
Energy: 0.8143484305797082
Energy: 0.9416880214029563
Energy: 1.2499497888577644
Energy: 0.8754846527466444
Energy: 0.8276055665923314
Energy: 0.8754846527466444
Energy: 0.826770168558127
Energy: 1.0471728346354972
Energy: 1.0694084207076995
Energy: 1.0471728346387348
Energy: 0.8225684873163213
Energy: 0.9407064773370377
Energy: 0.8312324579353763
Energy: 0.9407064773403504
Energy: 0.830916664903086
Energy: 0.9419366759792693
Energy: 1.0667428470491367
Energy: 0.9419366759817538
Energy: 0.8163657926475474
Energy: 0.9882545664204642
Energy: 0.8322752537831699
Energy: 0.9882545664188078
Energy: 0.8345704111942703
Energy: 1.047974104464378
Energy: 1.0746918168017312
Energy: 1.0479741044660342
Energy: 0.811396431403104
Energy: 0.9404720876256148
Energy: 0.8624116540555836
Energy: 0.9404720876280993

minimum gb energy = 0.811396431403104 eV
minimum distance =  2.27999142923555 Angstroms
sigma value = 15


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

Energy: 1.1277377850561237
Energy: 0.7799582201370933
Energy: 1.5420090712458383
Energy: 0.7799582201448106
Energy: 1.2979542673361357
Energy: 0.7764362662197127
Energy: 0.7769812831164996
Energy: 0.7764362662197127
Energy: 0.8032946818343076
Energy: 0.7751462814060726
Energy: 1.5182500458641068
Energy: 0.7751462814067741
Energy: 1.143322226017568
Energy: 0.7773566645406468
Energy: 0.7770607191950728
Energy: 0.7773566645413483
Energy: 0.773382569936078
Energy: 0.8589628373634925
Energy: 0.7828922464587422
Energy: 0.8589628373662989
Energy: 1.1158359825877056
Energy: 0.776675736829933
Energy: 0.7769602562115635
Energy: 0.7766757368292314
Energy: 0.7762662758257375
Energy: 0.9527173611721643
Energy: 0.7819572086269609
Energy: 0.9527173611749705
Energy: 0.9329854349720893
Energy: 0.7891634830846935
Energy: 0.7770603430560779
Energy: 0.7891634830832903
Energy: 0.779153675880417
Energy: 0.7910229651178481
Energy: 1.1363399274717298
Energy: 0.7910229651178481
Energy: 0.749371891424003
Energy: 0.7745538428527448
Energy: 0.7739994019983012
Energy: 0.7745538427110888
Energy: 0.7761677131186432
Energy: 0.7769426521917123
Energy: 1.143881958070277
Energy: 0.7769426521931156
Energy: 0.7561039559199468
Energy: 0.7756434054248245
Energy: 0.8043433778282973
Energy: 0.7756434054234213
Energy: 0.7792146085245623
Energy: 0.7917000172789838
Energy: 1.3735885681292335
Energy: 0.791700017276879
Energy: 0.7500003987859237
Energy: 0.7799407498413455
Energy: 1.1289874604301855
Energy: 0.7799407498399424
Energy: 0.7762852459970764
Energy: 0.7768433117427963
Energy: 1.4421414538870696
Energy: 0.7768433117420946
Energy: 0.8873315187980495
Energy: 0.776003399761953
Energy: 0.8039852540533057
Energy: 0.7760033997626546
Energy: 0.7791505855333593
Energy: 0.7910811188118401
Energy: 1.4351788611794962
Energy: 0.7910811188146464
Energy: 0.970497719733112
Energy: 0.8559978190582006
Energy: 0.7739311928789807
Energy: 0.8559978190582006
Energy: 0.7765400206160304
Energy: 0.7752723330098035
Energy: 1.1158278824830266
Energy: 0.7752723330161178
Energy: 0.9673287442729552
Energy: 0.9440353528784683
Energy: 0.7767676688089091
Energy: 0.9440353528826778
Energy: 0.7789956992065584
Energy: 0.8053690870790161
Energy: 1.0500771930522548
Energy: 0.8053690870797177
Energy: 0.9706654993600226
Energy: 0.7894034171519875
Energy: 0.7825828460206912
Energy: 0.7894034171505843
Energy: 0.7761718245627908
Energy: 0.7741020396995574
Energy: 0.7765112638549182
Energy: 0.7741020396995574
Energy: 1.3304130891277186
Energy: 0.9433122358250975
Energy: 0.7770134537025801
Energy: 0.9433122358524594
Energy: 0.8061402479522681
Energy: 0.8037875630740817
Energy: 0.7781939038294811
Energy: 0.8037875630740817
Energy: 1.2979241014890082
Energy: 0.7889883487762442
Energy: 0.7824536947871924
Energy: 0.7889883487742032
Energy: 1.1308191941046815
Energy: 0.7747297043776781
Energy: 0.7746624833208958
Energy: 0.7747297043790813
Energy: 1.4373850337797893
Energy: 0.9409708462232668
Energy: 0.776994498843548
Energy: 0.9409708462204605
Energy: 0.8060861265456063
Energy: 0.8810450912424913
Energy: 0.7511876274573
Energy: 0.8810450912438945
Energy: 1.142279250693721
Energy: 0.7901182652744588
Energy: 0.7825900361840492
Energy: 0.7901182652765635
Energy: 0.7763585590106563
Energy: 0.8539468457765024
Energy: 0.9899994081464197
Energy: 0.8539468457758007
Energy: 1.1318481305354675
Energy: 0.7746469166653351
Energy: 0.776871198418249
Energy: 0.774646916672351
Energy: 0.779239724472926
Energy: 0.8808460761964982
Energy: 0.9860011575859399
Energy: 0.8808460762000062
Energy: 0.755262636514246
Energy: 0.8045501825849464
Energy: 0.7825590539441202
Energy: 0.8045501825849464
Energy: 0.760319205420877
Energy: 0.8544204571431688
Energy: 0.9710746931810821
Energy: 0.8544204571480799
Energy: 0.7593142469722858
Energy: 0.7741595441920245
Energy: 0.7798299119899758
Energy: 0.7741595441906212
Energy: 0.7790802043556107
Energy: 0.8824602866499762
Energy: 1.3248982773885838
Energy: 0.8824602866499762

minimum gb energy = 0.749371891424003 eV
minimum distance =  2.2851024494371 Angstroms
sigma value = 85


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

Energy: 1.0552359895193628
Energy: 0.7533114475274835
Energy: 1.4909063579753812
Energy: 0.7533114475274835
Energy: 1.3167293010414962
Energy: 0.7475638383852458
Energy: 0.7114196515121796
Energy: 0.7475638383858543
Energy: 1.0152823415739591
Energy: 0.7473511887624821
Energy: 0.8723733338986881
Energy: 0.7473511887624821
Energy: 1.1814832418241128
Energy: 0.7475791722381007
Energy: 0.7115834041230461
Energy: 0.7475791722399261
Energy: 0.7459411783081773
Energy: 0.7092910928954441
Energy: 0.7326264815001784
Energy: 0.7092910928954441
Energy: 1.1364462119845178
Energy: 0.7480417073236998
Energy: 0.7116044520900227
Energy: 0.7480417073206573
Energy: 0.7076062393116691
Energy: 0.9015475503702175
Energy: 0.7302625907884389
Energy: 0.9015475503702175
Energy: 0.9955852055754673
Energy: 0.7462953281824729
Energy: 0.7115057366473354
Energy: 0.7462953281824729
Energy: 0.7106772402550644
Energy: 0.8626822746473514
Energy: 0.9640072941160948
Energy: 0.8626822746461343
Energy: 0.8351240792522348
Energy: 0.76973323380134
Energy: 0.7084309615210644
Energy: 0.7697332337995422
Energy: 0.7134681199264264
Energy: 0.7477172829255877
Energy: 1.0468407586315354
Energy: 0.7477172829261963
Energy: 0.6750380215588275
Energy: 0.7461930022772439
Energy: 0.746533680768995
Energy: 0.7461930022772439
Energy: 0.7107336656163731
Energy: 0.7259650881482874
Energy: 1.2419969737937682
Energy: 0.725965088148896
Energy: 0.6778809032180536
Energy: 0.7477382388186843
Energy: 1.0161471614242583
Energy: 0.7477382388223353
Energy: 0.7124057427205276
Energy: 0.7476871794960209
Energy: 1.4095419766494794
Energy: 0.7476871794972378
Energy: 0.6752336530730497
Energy: 0.753280103997294
Energy: 1.0562703323501852
Energy: 0.7532801039979026
Energy: 0.7108290779684614
Energy: 0.7258740001586279
Energy: 1.4717745410404495
Energy: 0.7258740001586279
Energy: 0.7970042434733445
Energy: 0.7478365663393561
Energy: 1.0161806884547668
Energy: 0.7478365663393561
Energy: 0.7134917949241772
Energy: 0.7477731674713914
Energy: 1.277083052427507
Energy: 0.7477731674719997
Energy: 0.8678068032247529
Energy: 0.7532210307519841
Energy: 0.7468204147283063
Energy: 0.7532210307513755
Energy: 0.7108352082676985
Energy: 0.7256776772922363
Energy: 1.2059822607037751
Energy: 0.7256776772922363
Energy: 0.865278896834001
Energy: 0.7476523267380945
Energy: 0.7084126585473701
Energy: 0.7476523267368774
Energy: 0.7137185761812204
Energy: 0.7459783118679298
Energy: 0.9952369089205566
Energy: 0.7459783118685382
Energy: 0.8724114636223828
Energy: 0.7737000326645765
Energy: 0.711360538999359
Energy: 0.7737000326706613
Energy: 0.7107723409022763
Energy: 0.7460425486913751
Energy: 0.9174107471424132
Energy: 0.7460425486907665
Energy: 1.1778134053392046
Energy: 0.7475189625343304
Energy: 0.7126858067833375
Energy: 0.7475189625331135
Energy: 0.7488369777362489
Energy: 0.7458496561996
Energy: 0.675418793799534
Energy: 0.7458496561989915
Energy: 1.1876625662584388
Energy: 0.7736662121366734
Energy: 0.7116310711282731
Energy: 0.7736662121360649
Energy: 1.0184591929390416
Energy: 0.8804960824842367
Energy: 0.68208910104652
Energy: 0.8804960824848451
Energy: 1.4095084329703427
Energy: 0.7474751421812696
Energy: 0.7125603250744521
Energy: 0.7474751421806611
Energy: 1.0580279383922542
Energy: 0.745801193703767
Energy: 0.6753614799973281
Energy: 0.745801193703767
Energy: 1.2975701331358567
Energy: 0.7737771419876261
Energy: 0.7116565438014687
Energy: 0.7737771419882344
Energy: 1.0186095341713552
Energy: 0.8810376263426393
Energy: 0.6780438848749181
Energy: 0.8810376263420309
Energy: 1.2765942629122053
Energy: 0.8806453850959758
Energy: 0.7132068849862978
Energy: 0.8806453850965843
Energy: 0.7490484757134481
Energy: 0.7459685645057833
Energy: 0.8678424759368434
Energy: 0.7459685645063918
Energy: 1.0087041823968994
Energy: 0.7697289849955403
Energy: 0.7115697365306187
Energy: 0.7697289849955403
Energy: 0.7109350017249528
Energy: 0.8803892248611446
Energy: 0.8665396639044369
Energy: 0.8803892248605362
Energy: 0.9951195392015191
Energy: 0.7458200779087978
Energy: 0.7123747009028791
Energy: 0.7458200779094063
Energy: 0.7119786397174229
Energy: 0.7459245239944191
Energy: 0.8716759515171341
Energy: 0.7459245239986784
Energy: 0.683450552304308
Energy: 0.7953030041394279
Energy: 0.7123700437074226
Energy: 0.7953030041400362
Energy: 0.7105095580504777
Energy: 0.8803433739018351
Energy: 1.1785011169173598
Energy: 0.8803433739018351
Energy: 0.6755316136357927
Energy: 0.7457303046950559
Energy: 0.7487289821749181
Energy: 0.7457303046950559
Energy: 0.7135474604770078
Energy: 0.7458106199969892
Energy: 1.1910910672060497
Energy: 0.7458106199933382

minimum gb energy = 0.6750380215588275 eV
minimum distance =  2.29063145949437 Angstroms
sigma value = 113


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

Energy: 0.020372437802896156
Energy: 0.021095957799656014
Energy: 1.428744754397214
Energy: 0.021095957799656014
Energy: 0.960940554999854
Energy: 0.39853640742346874
Energy: 0.3991855957433175
Energy: 0.398536407423001
Energy: 0.020372437802896156
Energy: 0.02109595779918824
Energy: 1.4287447543995009
Energy: 0.02109595780012378
Energy: 0.960940554999854
Energy: 0.39853640742346874
Energy: 0.39918559574243395
Energy: 0.398536407423001
Energy: 0.020372437802896156
Energy: 0.021095957799656014
Energy: 1.4287447543995009
Energy: 0.021095957799656014
Energy: 0.960940554999854
Energy: 0.3985364074239366
Energy: 0.39918559574149837
Energy: 0.39853640742253327

minimum gb energy = 0.020372437802896156 eV
minimum distance =  2.48139739560884 Angstroms
sigma value = 1