Model name: model_name=MEAM_LAMMPS_KimLee_2017_MgPb__MO_325675357262_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.94974747300148
cohesive_energy=2.040160456152056
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.63225969563092e-20, 9.06032488703634e-20, 1.197364276947024e-19, 1.45190848749714e-19, 1.6774789357979998e-19, 1.87901673458886e-19, 2.0598864548011198e-19, 2.2226515790491797e-19, 2.36923471929384e-19, 2.50114192157106e-19, 2.61965492718804e-19, 2.7258151509568795e-19, 2.82050379002628e-19, 2.90447386741422e-19, 2.9783982973069797e-19, 3.04282181976012e-19, 3.0982891748292e-19, 3.1452329502053997e-19, 3.1840857335798996e-19, 3.2151839820458395e-19, 3.2388801744626997e-19, 3.2554627026245995e-19, 3.2652359800919994e-19, 3.26844033336e-19, 3.2649636100642196e-19, 3.2536522430281796e-19, 3.2329841644495798e-19, 3.20111687119932e-19, 3.15587140305516e-19, 3.0945881468046595e-19, 3.0139986621144597e-19, 2.91016159446492e-19, 2.7782063268886794e-19, 2.6120606099428797e-19, 2.40424227874674e-19, 2.1452984911596596e-19, 1.82326098772566e-19, 1.422864229475988e-19, 9.244206699320519e-20, 3.02260235063904e-20, -4.77543165353406e-20, -1.4603423452985158e-19, -2.70774259852536e-19, -4.3049044196609397e-19, -6.37179238635264e-19, -9.08131340094174e-19, -1.268903065831758e-18, -1.75843692111402e-18, -2.4382244451538796e-18, -3.4096241383480796e-18, -4.84876327807224e-18, -7.0825820282604e-18, -1.0772555034025798e-17, -1.7421748282789198e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.004197216768704338
Energy: 0.03331884122033992
Energy: 0.16834538734924206
Energy: 0.03331884122033992
Energy: 0.03331884122033992
Energy: 0.28418742498287075
Energy: 0.03331884122033992
Energy: 0.2841874249877775
Energy: 0.16834538734433524
Energy: 0.03331884122067449
Energy: 0.004197216768704338
Energy: 0.03331884122033992
Energy: 0.03331884122033992
Energy: 0.284187424978949
Energy: 0.03331884122033992
Energy: 0.284187424975018

minimum gb energy = 0.004197216768704338 eV
minimum distance =  3.373001131308 Angstroms
sigma value = 1


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

Energy: 0.3353758961507825
Energy: 0.2625252542887121
Energy: 0.2625711188107093
Energy: 0.2625252542891178
Energy: 0.2378790193192043
Energy: 0.2680197717874108
Energy: 0.2377628851134993
Energy: 0.2680197717878166
Energy: 0.26283028532001973
Energy: 0.2626660998518923
Energy: 0.36504961615179005
Energy: 0.2626660998518923
Energy: 0.2391832817228953
Energy: 0.23806609186553515
Energy: 0.23799563897432155
Energy: 0.23806609182457353
Energy: 0.3125085557444028
Energy: 0.2380507703223427
Energy: 0.2388856920382801
Energy: 0.23805077032274846
Energy: 0.24904972939378803
Energy: 0.26076849412406206
Energy: 0.2377193968792098
Energy: 0.26076849412406206
Energy: 0.24546134720277274
Energy: 0.24981142950583662
Energy: 0.3122454553984581
Energy: 0.24981142950624236
Energy: 0.2525817318304974
Energy: 0.3059131177914239
Energy: 0.26191648678791873
Energy: 0.3059131177918296
Energy: 0.271629757598417
Energy: 0.26009157118676324
Energy: 0.2728310747036622
Energy: 0.26009157118676324
Energy: 0.2630265714589583
Energy: 0.2996244862260779
Energy: 0.2547700673258741
Energy: 0.2996244862260779
Energy: 0.28917019877911393
Energy: 0.2599778524753766
Energy: 0.27202389354383033
Energy: 0.2599778524753766
Energy: 0.24616549632318446
Energy: 0.269435643433615
Energy: 0.2619854245185082
Energy: 0.26943564343402077
Energy: 0.24454039958660978
Energy: 0.24951119527781332
Energy: 0.335868659148887
Energy: 0.24951119527781332
Energy: 0.2490674084049286
Energy: 0.24948931855730674
Energy: 0.24928813706631434
Energy: 0.24948931855730674
Energy: 0.3355139701147925
Energy: 0.23779148915016582
Energy: 0.23802487558942928
Energy: 0.23779148914976003
Energy: 0.2508197271765875
Energy: 0.2379153056294206
Energy: 0.2380097528772406
Energy: 0.23791530562901486
Energy: 0.2626528582468904
Energy: 0.2626677587538467
Energy: 0.3939366884082637
Energy: 0.2626677587538467
Energy: 0.2381661938008377
Energy: 0.23759502963580478
Energy: 0.234124117322435
Energy: 0.2375950296341818
Energy: 0.36503803248714917
Energy: 0.26267412636829524
Energy: 0.26305215361335843
Energy: 0.26267412636870097
Energy: 0.2488225474121968
Energy: 0.2605677263916534
Energy: 0.23918121645350707
Energy: 0.2605677263912476
Energy: 0.2382884496067578
Energy: 0.23787153186726845
Energy: 0.3125837928915828
Energy: 0.23787153189768076
Energy: 0.23768918927643812
Energy: 0.2608253362970503
Energy: 0.24894300807162306
Energy: 0.2608253362970503
Energy: 0.31235617691261625
Energy: 0.2501567515597404
Energy: 0.24531762456408301
Energy: 0.25015675156014616
Energy: 0.26173847162828234
Energy: 0.2458441285453053
Energy: 0.25290664235669097
Energy: 0.2458441285453053
Energy: 0.25942352477608116
Energy: 0.26013991386460555
Energy: 0.27171015643082874
Energy: 0.26013991386460555
Energy: 0.255305695993757
Energy: 0.2647818150682783
Energy: 0.2635730634479889
Energy: 0.2647818150686841
Energy: 0.27183347365846294
Energy: 0.26005560648209347
Energy: 0.2908135467375767
Energy: 0.26005560648209347
Energy: 0.2621399860792461
Energy: 0.2691454389653607
Energy: 0.2463414488577174
Energy: 0.26914543896495496
Energy: 0.23412323944560223
Energy: 0.2494133067381897
Energy: 0.24436633322109624
Energy: 0.24941330673859544
Energy: 0.24915493554666068
Energy: 0.25006975015710775
Energy: 0.24894372402654094
Energy: 0.25006975015710775
Energy: 0.2378039487640081
Energy: 0.2378679465482147
Energy: 0.33582736307665756
Energy: 0.2378679465482147
Energy: 0.23800503015129337
Energy: 0.23805869454313913
Energy: 0.25080438743617484
Energy: 0.23805869454354492
Energy: 0.25980369589952496
Energy: 0.23863131921750994
Energy: 0.26292452004013933
Energy: 0.23863131921750994

minimum gb energy = 0.23412323944560223 eV
minimum distance =  3.12320279671137 Angstroms
sigma value = 1


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

Energy: 0.38144946307282357
Energy: 0.2749441500737332
Energy: 0.2747745876659025
Energy: 0.2749441500732706
Energy: 0.24697951589386796
Energy: 0.2790939697461619
Energy: 0.24697333464044854
Energy: 0.2790939697466246
Energy: 0.27466887634093856
Energy: 0.27503496483976203
Energy: 0.35021560656902034
Energy: 0.27503496484022466
Energy: 0.24848798072964787
Energy: 0.24747298280953398
Energy: 0.24703416367778774
Energy: 0.24747298280907137
Energy: 0.350065877913644
Energy: 0.24713023713898322
Energy: 0.24759691191336264
Energy: 0.24713023713852061
Energy: 0.2609291133281634
Energy: 0.2717293121673798
Energy: 0.24749238538904428
Energy: 0.2717293121673798
Energy: 0.2582149898371263
Energy: 0.2622547680262234
Energy: 0.2951662021085979
Energy: 0.26225476802576075
Energy: 0.26269061759265216
Energy: 0.2591461155876117
Energy: 0.27523023289311777
Energy: 0.2591461155876117
Energy: 0.29553152435537366
Energy: 0.273912024484745
Energy: 0.27229109349908265
Energy: 0.2739120244842824
Energy: 0.27465414024123025
Energy: 0.2826322595688072
Energy: 0.26344154406851794
Energy: 0.2826322595683446
Energy: 0.3190768372543824
Energy: 0.26197856407992126
Energy: 0.2581728167216179
Energy: 0.26197856407945863
Energy: 0.26121035663808917
Energy: 0.26192914907152115
Energy: 0.2610190842418923
Energy: 0.2619291490701333
Energy: 0.24763818872873394
Energy: 0.24722669343437959
Energy: 0.3185650079124762
Energy: 0.24722669343391696
Energy: 0.2471940885034585
Energy: 0.2475098312832802
Energy: 0.2615320721863322
Energy: 0.2475098312832802
Energy: 0.38121377089220126
Energy: 0.27496233582168567
Energy: 0.2745367872348213
Energy: 0.2749623358221483
Energy: 0.2440087686880652
Energy: 0.2470422879304467
Energy: 0.24715206447089152
Energy: 0.2470422879304467
Energy: 0.2752328135758644
Energy: 0.2749691013120024
Energy: 0.35038501098782876
Energy: 0.2749691013110772
Energy: 0.24852160610338522
Energy: 0.25839399861093487
Energy: 0.26059337540304367
Energy: 0.25839399861093487
Energy: 0.35024064578779884
Energy: 0.24710552835274616
Energy: 0.24739391088475862
Energy: 0.24710552835228353
Energy: 0.26091788135037486
Energy: 0.2711769364221835
Energy: 0.24711313343837804
Energy: 0.2711769364221835
Energy: 0.26005058256835195
Energy: 0.2628983617714786
Energy: 0.2951710142545771
Energy: 0.2628983617714786
Energy: 0.26240822333007463
Energy: 0.25888648933764785
Energy: 0.27510590956029823
Energy: 0.2588864893381104
Energy: 0.29559763391239524
Energy: 0.27404611152847774
Energy: 0.2730971653977709
Energy: 0.2740461115289403
Energy: 0.27441132271247376
Energy: 0.27544173949694384
Energy: 0.25752719494490317
Energy: 0.27544173949694384
Energy: 0.24482620797392887
Energy: 0.26185145042053953
Energy: 0.257987546391709
Energy: 0.26185145042053953
Energy: 0.2678685247238027
Energy: 0.2623935224616319
Energy: 0.26099651768745785
Energy: 0.2623935224616319
Energy: 0.2472460806409584
Energy: 0.24718279891868913
Energy: 0.31962400212218367
Energy: 0.24718279891822656
Energy: 0.24715400580035132
Energy: 0.24737015340408283
Energy: 0.26158414892927595
Energy: 0.24737015340362017
Energy: 0.26151466709459337
Energy: 0.24843949921604583
Energy: 0.27481707459580934
Energy: 0.24843949921604583

minimum gb energy = 0.2440087686880652 eV
minimum distance =  3.13090581000657 Angstroms
sigma value = 25


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

Energy: 0.3623870804197901
Energy: 0.2878242306633372
Energy: 0.2880803785994974
Energy: 0.2878242306633372
Energy: 0.25654386007373337
Energy: 0.2896787029989389
Energy: 0.25664368114593333
Energy: 0.2896787029989389
Energy: 0.287880159482328
Energy: 0.2878760738936622
Energy: 0.32928585958125106
Energy: 0.2878760738936622
Energy: 0.258885917212778
Energy: 0.2569679531548173
Energy: 0.25661241732609774
Energy: 0.2569679531542795
Energy: 0.3297717392426143
Energy: 0.2568354173287989
Energy: 0.2572172742826756
Energy: 0.2568354173287989
Energy: 0.275496984946651
Energy: 0.2833422424477117
Energy: 0.25715811214417295
Energy: 0.2833422424477117
Energy: 0.27691302975120713
Energy: 0.27817860874993466
Energy: 0.27561407215395967
Energy: 0.27817860874993466
Energy: 0.2725407216439899
Energy: 0.2752951597472488
Energy: 0.2880831339581625
Energy: 0.27529515974778657
Energy: 0.275716158178636
Energy: 0.27782266631509184
Energy: 0.29776256087010067
Energy: 0.27782266631509184
Energy: 0.2755712518631372
Energy: 0.28679739171476376
Energy: 0.2571238427360713
Energy: 0.28679739171476376
Energy: 0.3635099129456977
Energy: 0.25670856983443663
Energy: 0.256685733927488
Energy: 0.25670856983443663
Energy: 0.2728633663632343
Energy: 0.25716729130172283
Energy: 0.25656531289822965
Energy: 0.25716729130118504
Energy: 0.2876854995114782
Energy: 0.2878644499324618
Energy: 0.3626697612177157
Energy: 0.2878644499324618
Energy: 0.2566245423335394
Energy: 0.25674896624594584
Energy: 0.2547678292529158
Energy: 0.2567489663991529
Energy: 0.3295221982419771
Energy: 0.28812648776655064
Energy: 0.2882833833525132
Energy: 0.28812648776655064
Energy: 0.27520760393116384
Energy: 0.25661705951085473
Energy: 0.25878976539410936
Energy: 0.2566170595113925
Energy: 0.2566092892873496
Energy: 0.2567779149285878
Energy: 0.32996321187551486
Energy: 0.2567779149285878
Energy: 0.256735551110397
Energy: 0.25673139524369853
Energy: 0.27560850976884077
Energy: 0.25673139524369853
Energy: 0.27533961559654285
Energy: 0.27920941067921906
Energy: 0.2694888189438714
Energy: 0.27920941067921906
Energy: 0.28878862569158836
Energy: 0.2754435938802658
Energy: 0.27355793343582796
Energy: 0.27544359387972805
Energy: 0.30079752817393474
Energy: 0.27759142350026056
Energy: 0.27554760193760947
Energy: 0.27759142350026056
Energy: 0.2710448268621306
Energy: 0.28492909772508745
Energy: 0.27548008864381884
Energy: 0.28492909772508745
Energy: 0.256290257786706
Energy: 0.2567342244141941
Energy: 0.2582000659231565
Energy: 0.2567342244141941
Energy: 0.2566033561278436
Energy: 0.2568218471466045
Energy: 0.272922837872003
Energy: 0.2568218471466045
Energy: 0.2580528546366075
Energy: 0.2587840907762668
Energy: 0.288028182239586
Energy: 0.25878409077572906

minimum gb energy = 0.2547678292529158 eV
minimum distance =  3.12986045553239 Angstroms
sigma value = 9


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

Energy: 0.33388434590376165
Energy: 0.30052004781446223
Energy: 0.3007103503091287
Energy: 0.30052004781465175
Energy: 0.2765920478320788
Energy: 0.2973524369818562
Energy: 0.26696758491839584
Energy: 0.2973524369819218
Energy: 0.3005005420099003
Energy: 0.3004314839332121
Energy: 0.3970363651473925
Energy: 0.30043148393276015
Energy: 0.2730106388947341
Energy: 0.2674481176077941
Energy: 0.2760133103561122
Energy: 0.2674481176081149
Energy: 0.301776125239836
Energy: 0.26703098399343417
Energy: 0.26685892401522976
Energy: 0.2670309839932446
Energy: 0.29237345468955633
Energy: 0.26670866593908626
Energy: 0.2758224371536874
Energy: 0.26670866594876763
Energy: 0.26980719690743116
Energy: 0.29274849291912997
Energy: 0.3030836362086719
Energy: 0.2927484929191883
Energy: 0.27575332134337477
Energy: 0.29407342261992364
Energy: 0.29193441512228463
Energy: 0.29407342261973407
Energy: 0.2666920843778545
Energy: 0.2672178143764134
Energy: 0.3360278074702823
Energy: 0.2672178143765446
Energy: 0.27601106846079776
Energy: 0.2673226026396839
Energy: 0.26259439208685
Energy: 0.2673226026396839
Energy: 0.33466321001233745
Energy: 0.30052776325039565
Energy: 0.3000600597023478
Energy: 0.30052776325051955
Energy: 0.2697226709495507
Energy: 0.26682775322271934
Energy: 0.27590953205482016
Energy: 0.26682775322259544
Energy: 0.3004197203470435
Energy: 0.3005243181679121
Energy: 0.26942697442648517
Energy: 0.30052431816804337
Energy: 0.27524937799976906
Energy: 0.2667808292570823
Energy: 0.2909561610968018
Energy: 0.2667808292570823
Energy: 0.3019859699607497
Energy: 0.2669695449520864
Energy: 0.26693365567774957
Energy: 0.26696954495234887
Energy: 0.29252856176817554
Energy: 0.26701711306669884
Energy: 0.26707253556135646
Energy: 0.2670171130667645
Energy: 0.2698619072004098
Energy: 0.29326570361056775
Energy: 0.30277442476907895
Energy: 0.2932657036105022
Energy: 0.2700010549650717
Energy: 0.29355092901783064
Energy: 0.2921756718891037
Energy: 0.29355092901802754
Energy: 0.2663882282018544
Energy: 0.2671759451854106
Energy: 0.26283987065352526
Energy: 0.2671759451857314
Energy: 0.2757510189152369
Energy: 0.26705359848930543
Energy: 0.2627422014756013
Energy: 0.26705359848969173
Energy: 0.28158280401242153
Energy: 0.2700887166583079
Energy: 0.3004138568041689
Energy: 0.27008871665862866

minimum gb energy = 0.26259439208685 eV
minimum distance =  3.12267590210122 Angstroms
sigma value = 25


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

Energy: 0.292658666032016
Energy: 0.3126819631471305
Energy: 0.31301194395996357
Energy: 0.3126819631470493
Energy: 0.28140332650681626
Energy: 0.2909953487777336
Energy: 0.27474517573269663
Energy: 0.2909953487777336
Energy: 0.31279277273242656
Energy: 0.3126501913583313
Energy: 0.3638567558529267
Energy: 0.3126501913582501
Energy: 0.2667815146015945
Energy: 0.2966015629173857
Energy: 0.2744859018052289
Energy: 0.2966015629173857
Energy: 0.27904658595752047
Energy: 0.2809420606500387
Energy: 0.28067947620358824
Energy: 0.2809420606501198
Energy: 0.26660996134636855
Energy: 0.3025969287155929
Energy: 0.27427697364376535
Energy: 0.3025969287155929
Energy: 0.2947354132855534
Energy: 0.28136315499343423
Energy: 0.27998754606442733
Energy: 0.2813631549935064
Energy: 0.26480840050843657
Energy: 0.29669920244728715
Energy: 0.2747971373029456
Energy: 0.29669920244728715
Energy: 0.3123304376620311
Energy: 0.3129083523389973
Energy: 0.265876378220242
Energy: 0.3129083523389251
Energy: 0.27480551522993385
Energy: 0.29686087293994606
Energy: 0.2646780098112702
Energy: 0.2968608729398649
Energy: 0.2828192975197897
Energy: 0.31300482279811587
Energy: 0.3128452151222366
Energy: 0.31300482279804376
Energy: 0.2655462637447773
Energy: 0.29130816002815707
Energy: 0.2666694047407256
Energy: 0.2913081600282382
Energy: 0.27513978370401665
Energy: 0.2855405163366172
Energy: 0.2789458247480472
Energy: 0.2855405163369327
Energy: 0.2840219190572996
Energy: 0.2808142417211431
Energy: 0.26675004744370234
Energy: 0.2808142417211431
Energy: 0.27952698073588106
Energy: 0.2821685728232756
Energy: 0.3008954165704689
Energy: 0.2821685728231945
Energy: 0.2743286402937891
Energy: 0.29671373966931763
Energy: 0.29982496196549163
Energy: 0.29671373966947096
Energy: 0.2655816956984436
Energy: 0.28488301161185614
Energy: 0.31278941083415357
Energy: 0.28488301161233404

minimum gb energy = 0.2646780098112702 eV
minimum distance =  3.13618822158704 Angstroms
sigma value = 17


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

Energy: 0.42030193801485327
Energy: 0.349935143065052
Energy: 0.34906738429104944
Energy: 0.349935143065052
Energy: 0.2760695495291082
Energy: 0.2817643746069001
Energy: 0.28110821822010307
Energy: 0.2817643746073495
Energy: 0.29570372326223193
Energy: 0.2952155711895375
Energy: 0.3793440681778137
Energy: 0.29521557118998687
Energy: 0.2815745273900952
Energy: 0.30174106971499287
Energy: 0.2810480334471912
Energy: 0.30174106971499287
Energy: 0.31193759678611604
Energy: 0.3025021249284655
Energy: 0.2856509630818398
Energy: 0.3025021249284655
Energy: 0.2818658438962668
Energy: 0.30364770848786765
Energy: 0.29667660081619224
Energy: 0.30364770848741834
Energy: 0.339068223410635
Energy: 0.296225293083995
Energy: 0.29469815433332847
Energy: 0.2962252930835456
Energy: 0.29411085894049593
Energy: 0.281352492397255
Energy: 0.27475099566965444
Energy: 0.281352492397255
Energy: 0.3500642272489081
Energy: 0.34979015970482247
Energy: 0.31974512202584593
Energy: 0.34979015970482247
Energy: 0.29455772033523075
Energy: 0.30207493375217775
Energy: 0.28096239428330105
Energy: 0.30207493375217775
Energy: 0.31119153229728336
Energy: 0.2768669749380216
Energy: 0.28378920834896953
Energy: 0.27686697493757223
Energy: 0.29541610445325994
Energy: 0.27650503157159156
Energy: 0.27673743424081637
Energy: 0.2765050315720409
Energy: 0.2939579666264913
Energy: 0.27674070176510757
Energy: 0.2762390415202549
Energy: 0.27674070176510757
Energy: 0.294059044657394
Energy: 0.29502268257734166
Energy: 0.2749280966365868
Energy: 0.29502268257734166
Energy: 0.3095410164274525
Energy: 0.31890119870992767
Energy: 0.29400733407972435
Energy: 0.318901198710377
Energy: 0.35018448831191995
Energy: 0.29488424540605446
Energy: 0.294854304365993
Energy: 0.29488424540605446
Energy: 0.2944356083071445
Energy: 0.2993039724491063
Energy: 0.2952718257420179
Energy: 0.2993039724491063
Energy: 0.29438897455705
Energy: 0.28126452307702954
Energy: 0.29545145165611997
Energy: 0.28126452307702954
Energy: 0.28216889025709996
Energy: 0.3055203183753853
Energy: 0.2965034731799537
Energy: 0.3055203183753853
Energy: 0.2836404067371524
Energy: 0.3027592318436955
Energy: 0.2956450502027379
Energy: 0.3027592318436955
Energy: 0.28200911914739357
Energy: 0.2814757221595008
Energy: 0.29384009115381177
Energy: 0.2814757221595008
Energy: 0.2951618785956768
Energy: 0.29511193263905106
Energy: 0.3372706007785131
Energy: 0.29511193263905106
Energy: 0.28092613629626106
Energy: 0.3015396529174955
Energy: 0.2810235231930926
Energy: 0.3015396529174955
Energy: 0.3793188918348818
Energy: 0.3516118063961317
Energy: 0.34890765958241166
Energy: 0.3516118063961317
Energy: 0.2746836973500779
Energy: 0.2818274025807487
Energy: 0.29541289322449393
Energy: 0.2818274025807487
Energy: 0.2766092267571378
Energy: 0.2765121593392155
Energy: 0.3115044638979496
Energy: 0.2765121593392155
Energy: 0.2835643691837274
Energy: 0.29095153780827104
Energy: 0.2947667141538891
Energy: 0.2909515378078217
Energy: 0.2772418439502299
Energy: 0.27653748450594007
Energy: 0.3385431487696573
Energy: 0.2765374845063894
Energy: 0.276325577498932
Energy: 0.28167869599177364
Energy: 0.29410154662900423
Energy: 0.28167869599177364
Energy: 0.42014561796726196
Energy: 0.34947385905640316
Energy: 0.3488142257862365
Energy: 0.34947385905595374

minimum gb energy = 0.2746836973500779 eV
minimum distance =  3.17595968322072 Angstroms
sigma value = 53


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

Energy: 0.3745230341490749
Energy: 0.31660440803140383
Energy: 0.31640467439075864
Energy: 0.3166044080311922
Energy: 0.29155738491335775
Energy: 0.26947301472064344
Energy: 0.29164164022566824
Energy: 0.26947301472074925
Energy: 0.3166545155693412
Energy: 0.3165424633531247
Energy: 0.3097727435259137
Energy: 0.3165424633530306
Energy: 0.29149573813480395
Energy: 0.2699369011421037
Energy: 0.2908949661667108
Energy: 0.2699369011421037
Energy: 0.31211549037499037
Energy: 0.2695844387502493
Energy: 0.2469579478151178
Energy: 0.26958443874994376
Energy: 0.2904745603743086
Energy: 0.27011020543950004
Energy: 0.2469792721142441
Energy: 0.27011020543971165
Energy: 0.3324098983582589
Energy: 0.2915302956224135
Energy: 0.3162239902672497
Energy: 0.2915302956224135
Energy: 0.33203769953807544
Energy: 0.27012663816358967
Energy: 0.29085759470351963
Energy: 0.2701266381638953
Energy: 0.31657378650080725
Energy: 0.27070030599185696
Energy: 0.3101501761002409
Energy: 0.27070030599185696
Energy: 0.29072343393864863
Energy: 0.27036224307430223
Energy: 0.2916626666081301
Energy: 0.2703622430739966
Energy: 0.311551293944773
Energy: 0.27058094874073524
Energy: 0.24704146576952993
Energy: 0.27058094874084104
Energy: 0.29174713393561175
Energy: 0.2706588079865951
Energy: 0.24704555782585413
Energy: 0.2706588079864892
Energy: 0.3320596177843464
Energy: 0.27042237177724193
Energy: 0.3260072073903292
Energy: 0.2704223717769245

minimum gb energy = 0.2469579478151178 eV
minimum distance =  3.19903360809944 Angstroms
sigma value = 9


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

Energy: 0.36601304558191244
Energy: 0.35962913031920246
Energy: 0.35978772966433875
Energy: 0.3596291303188196
Energy: 0.2810089748361849
Energy: 0.2776896416968116
Energy: 0.36404069317173765
Energy: 0.2776896416971945
Energy: 0.2797321168781873
Energy: 0.2773789014366576
Energy: 0.34112019435409047
Energy: 0.2773789014366576
Energy: 0.27834357231711254
Energy: 0.2778949397498729
Energy: 0.36228952016123006
Energy: 0.2778949397498729
Energy: 0.27781512954203436
Energy: 0.2772111239308822
Energy: 0.3623811012065549
Energy: 0.2772111239308822
Energy: 0.27683785191700655
Energy: 0.29960596871672834
Energy: 0.36126898722278555
Energy: 0.29960596871902556
Energy: 0.37270640086889145
Energy: 0.34770858059357646
Energy: 0.35085615619145144
Energy: 0.34770858059357646
Energy: 0.3614530784912247
Energy: 0.3126423218219081
Energy: 0.34869613833025154
Energy: 0.31264232182229096
Energy: 0.300342848828702
Energy: 0.31243708628337746
Energy: 0.2943757568824336
Energy: 0.31243708628337746
Energy: 0.273060569072437
Energy: 0.2951648453393289
Energy: 0.34113451831895375
Energy: 0.2951648453393289
Energy: 0.3047371620751412
Energy: 0.3004896346920205
Energy: 0.3617554701442367
Energy: 0.30048963469240336
Energy: 0.3004072369674618
Energy: 0.30119650294673095
Energy: 0.3672495493381014
Energy: 0.30119650294673095
Energy: 0.36151243198959543
Energy: 0.3002299810940911
Energy: 0.31362991531997836
Energy: 0.3002299810937082
Energy: 0.361608736185818
Energy: 0.3004361073672495
Energy: 0.30526517754079163
Energy: 0.3004361073672495
Energy: 0.3402712016685982
Energy: 0.29558030901299004
Energy: 0.29916090430185016
Energy: 0.29558030901299004
Energy: 0.31542980570852713
Energy: 0.31156980148960023
Energy: 0.2965996916650373
Energy: 0.31156980148921737
Energy: 0.3408706478635477
Energy: 0.3124443663317325
Energy: 0.3043697818336069
Energy: 0.31244436633211536
Energy: 0.3594918162166066
Energy: 0.3431480859430435
Energy: 0.3659923493749284
Energy: 0.3431480859426607
Energy: 0.363353777897231
Energy: 0.2773694460476798
Energy: 0.2973865939210932
Energy: 0.2773694460476798
Energy: 0.3408279729323965
Energy: 0.27736170458173415
Energy: 0.27752393380770407
Energy: 0.27736170458249987
Energy: 0.36626596609843753
Energy: 0.27774616019291953
Energy: 0.27741780599749405
Energy: 0.27774616019291953
Energy: 0.361433821308116
Energy: 0.27703111433709865
Energy: 0.27716328920666694
Energy: 0.27703111433709865
Energy: 0.3621498622826806
Energy: 0.2969587466759319
Energy: 0.2768303456104283
Energy: 0.2969587466759319
Energy: 0.3516264323890018
Energy: 0.3411780948717327
Energy: 0.3612556681949653
Energy: 0.3411780948709669
Energy: 0.35177872083250716
Energy: 0.31226322873876566
Energy: 0.36124366481637477
Energy: 0.3122632287383828
Energy: 0.2948487030474491
Energy: 0.31257897976360166
Energy: 0.2999925679044002
Energy: 0.31257897976321875
Energy: 0.34135931631222066
Energy: 0.29503832798744645
Energy: 0.2728032887630503
Energy: 0.29503832798744645
Energy: 0.3608451791764266
Energy: 0.3005111431354435
Energy: 0.305097738228323
Energy: 0.30051114313506067
Energy: 0.36668575414600374
Energy: 0.3010072198642929
Energy: 0.30313958823771614
Energy: 0.3010072198639101
Energy: 0.3135444383006981
Energy: 0.30171903342663897
Energy: 0.3616742218963836
Energy: 0.30171903342625606
Energy: 0.3060212417150189
Energy: 0.30051396964267846
Energy: 0.34158220119243166
Energy: 0.30051396964267846
Energy: 0.3021408190189835
Energy: 0.2962925992774022
Energy: 0.34074782034560486
Energy: 0.2962925992774022
Energy: 0.2954651673185564
Energy: 0.31329893524218394
Energy: 0.3164830182771248
Energy: 0.31329893524218394
Energy: 0.3003841983233364
Energy: 0.3122103359750701
Energy: 0.32129080965652745
Energy: 0.3122103359750701
Energy: 0.3663563680414178
Energy: 0.34180226755350385
Energy: 0.3593515178288994
Energy: 0.3418022675538867

minimum gb energy = 0.2728032887630503 eV
minimum distance =  3.09800346946574 Angstroms
sigma value = 73


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

Energy: 0.3458033461942021
Energy: 0.3418479991191589
Energy: 0.3421306547762596
Energy: 0.3418479991191589
Energy: 0.2809604468818843
Energy: 0.281043144350508
Energy: 0.3615197922207307
Energy: 0.2810431443506322
Energy: 0.28130132869951563
Energy: 0.28138242602738556
Energy: 0.30992064338810466
Energy: 0.28138242602732344
Energy: 0.28111985632852454
Energy: 0.2813329963952565
Energy: 0.3609249457828904
Energy: 0.2813329963950701
Energy: 0.28097535740276264
Energy: 0.28071582576444065
Energy: 0.35307246558698513
Energy: 0.28071582576450277
Energy: 0.28076287054437454
Energy: 0.28097631289256125
Energy: 0.3528061113817417
Energy: 0.28097631289249914
Energy: 0.3588816199342377
Energy: 0.3223367379028585
Energy: 0.3382238482651798
Energy: 0.3223367379028585
Energy: 0.3587515673604959
Energy: 0.3218091763025601
Energy: 0.321937896056764
Energy: 0.32180917630249806
Energy: 0.31945992630414904
Energy: 0.3008967899513436
Energy: 0.31218748006853664
Energy: 0.30089678995146096
Energy: 0.27340001014612125
Energy: 0.30087517259487623
Energy: 0.3189680761549448
Energy: 0.30087517259469676
Energy: 0.3216104742817222
Energy: 0.30445352669375486
Energy: 0.35374479778209755
Energy: 0.304453526693817
Energy: 0.33813031878203864
Energy: 0.32175237900428943
Energy: 0.34698161231300484
Energy: 0.32175237900277076
Energy: 0.3153441713940148
Energy: 0.280795372249632
Energy: 0.28043730688677815
Energy: 0.2807953722495147
Energy: 0.3116450505579022
Energy: 0.28101615794853607
Energy: 0.2811179935623972
Energy: 0.28101615794859125
Energy: 0.36129172981537194
Energy: 0.2806743187611513
Energy: 0.2812392010173876
Energy: 0.28067431876121346
Energy: 0.3487318573886754
Energy: 0.2810720289877772
Energy: 0.28102222593797044
Energy: 0.2810720289878394
Energy: 0.3532387130134069
Energy: 0.28104624306384324
Energy: 0.32815474309035964
Energy: 0.28104624306390535
Energy: 0.34219032121842985
Energy: 0.33740265248787815
Energy: 0.4058391563210333
Energy: 0.33740265248781603
Energy: 0.32150808870422504
Energy: 0.3044552742348647
Energy: 0.31555459080192605
Energy: 0.30445527423498897
Energy: 0.31141338074440694
Energy: 0.3008530840112399
Energy: 0.31729685868716584
Energy: 0.30085308401148153
Energy: 0.3208941121728771
Energy: 0.3052724310653023
Energy: 0.2743261820478646
Energy: 0.30527243106566126
Energy: 0.35114388869079555
Energy: 0.32209603646443974
Energy: 0.32231581576194335
Energy: 0.3220960364643776

minimum gb energy = 0.27340001014612125 eV
minimum distance =  3.11145492034594 Angstroms
sigma value = 7


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

Energy: 0.4290591152011718
Energy: 0.33947329652702724
Energy: 0.3391006263315562
Energy: 0.33947329652788627
Energy: 0.29996983339826744
Energy: 0.31125285278997694
Energy: 0.3592511662209665
Energy: 0.31125285278954745
Energy: 0.283427325281647
Energy: 0.28382464801019963
Energy: 0.3070672584880025
Energy: 0.2838246480097701
Energy: 0.283820458315029
Energy: 0.2838439291257204
Energy: 0.3486080003429417
Energy: 0.2838439291252909
Energy: 0.292706972237484
Energy: 0.29268870492565074
Energy: 0.3341383865183251
Energy: 0.29268870492565074
Energy: 0.3171457228746012
Energy: 0.29474907631505576
Energy: 0.33819030757702834
Energy: 0.29474907631505576
Energy: 0.35719607359161565
Energy: 0.29276044233279
Energy: 0.2833559818135871
Energy: 0.29276044233150145
Energy: 0.3581653902897421
Energy: 0.2929816425922789
Energy: 0.2942895623145495
Energy: 0.29298164259141984
Energy: 0.3471859469305656
Energy: 0.2830389613976995
Energy: 0.28267558574854645
Energy: 0.2830389613972699
Energy: 0.3328587801504706
Energy: 0.2873920820288125
Energy: 0.2835150437168393
Energy: 0.2873920820288125
Energy: 0.34824187516298755
Energy: 0.3232567125685594
Energy: 0.34714447316941044
Energy: 0.32325671256727084
Energy: 0.33130586576301674
Energy: 0.32995393459491135
Energy: 0.3576616548572055
Energy: 0.32995393459448175
Energy: 0.3131721173230689
Energy: 0.3105706148774609
Energy: 0.32199022613021994
Energy: 0.3105706148770314
Energy: 0.30878172122428516
Energy: 0.30002497188687816
Energy: 0.2821552579167304
Energy: 0.30002497188644855
Energy: 0.32518245496370346
Energy: 0.310535265181615
Energy: 0.281417370790928
Energy: 0.31053526518204455
Energy: 0.3491269065215161
Energy: 0.31966226092473715
Energy: 0.33032097804355265
Energy: 0.3196622609255962
Energy: 0.35003259418418053
Energy: 0.32320226742865793
Energy: 0.3487231909901198
Energy: 0.32320226742822844
Energy: 0.2837117343833795
Energy: 0.28627412025918436
Energy: 0.30662225166515616
Energy: 0.28627412025961385
Energy: 0.28216942190817546
Energy: 0.28311157863131037
Energy: 0.35945375936498974
Energy: 0.2831115786317399
Energy: 0.29469013515670783
Energy: 0.2929441370971895
Energy: 0.34950378273686755
Energy: 0.292944137097619
Energy: 0.2833102109956051
Energy: 0.29258332032057116
Energy: 0.3335171560876807
Energy: 0.29258332032014167
Energy: 0.3589257127271541
Energy: 0.292743854594259
Energy: 0.31714541761007925
Energy: 0.29274385459468855
Energy: 0.3564692550573846
Energy: 0.2926045568061758
Energy: 0.292514240962615
Energy: 0.2926045568057463
Energy: 0.3477127834371123
Energy: 0.28377911858255533
Energy: 0.28380693378515365
Energy: 0.28377911858255533
Energy: 0.3332778166690715
Energy: 0.2837502471609157
Energy: 0.2836456029030881
Energy: 0.2837502471604861
Energy: 0.3423396111564267
Energy: 0.3106418457296708
Energy: 0.3229300926239163
Energy: 0.310641845736963
Energy: 0.3475467099598468
Energy: 0.33958179057122645
Energy: 0.3798866355346995
Energy: 0.33958179057122645
Energy: 0.3214833498922005
Energy: 0.3101916099919001
Energy: 0.3299651569369533
Energy: 0.3101916099919001
Energy: 0.3077704331574499
Energy: 0.30077996386704836
Energy: 0.3130559678710753
Energy: 0.30077996386661887
Energy: 0.3218578888461748
Energy: 0.28336066993414744
Energy: 0.2819695619708291
Energy: 0.2833606699332884
Energy: 0.34906778163103364
Energy: 0.3244571022168443
Energy: 0.3243768664832056
Energy: 0.32445710221813295

minimum gb energy = 0.281417370790928 eV
minimum distance =  3.10020959971248 Angstroms
sigma value = 29


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

Energy: 0.25331906888978517
Energy: 0.3343018519093451
Energy: 0.31427396736973706
Energy: 0.3343018519093451
Energy: 0.2618483899675434
Energy: 0.28844950861243296
Energy: 0.27913219468912054
Energy: 0.2884495086122917
Energy: 0.2601785981338243
Energy: 0.28078853554900907
Energy: 0.254389560219937
Energy: 0.28078853554915034
Energy: 0.25480816458519917
Energy: 0.26076409013473995
Energy: 0.26218824798014867
Energy: 0.2607640901348896
Energy: 0.2597578720882807
Energy: 0.26254339564707563
Energy: 0.25466718990338905
Energy: 0.2625433956970895
Energy: 0.2622590921693885
Energy: 0.2821293363131192
Energy: 0.2545874435708707
Energy: 0.28212933631296966
Energy: 0.2548528318477603
Energy: 0.2815322256739024
Energy: 0.26032473615969104
Energy: 0.28153222567404373
Energy: 0.27947402530181964
Energy: 0.26186119767770144
Energy: 0.26282475429985136
Energy: 0.26186119767770144
Energy: 0.25474957395299846
Energy: 0.26119400122365743
Energy: 0.26165141153493277
Energy: 0.26119400122380704

minimum gb energy = 0.25331906888978517 eV
minimum distance =  3.16341357775072 Angstroms
sigma value = 5


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

Energy: 0.3348073783667694
Energy: 0.32784973136600826
Energy: 0.3280276673564684
Energy: 0.3278497313656025
Energy: 0.31018574196883897
Energy: 0.26821250262586666
Energy: 0.3086977045457759
Energy: 0.26821250262586666
Energy: 0.308409294701584
Energy: 0.2914272739764337
Energy: 0.30565947156554535
Energy: 0.2914272739768395
Energy: 0.2733536292343795
Energy: 0.26742777645518456
Energy: 0.3269559535799658
Energy: 0.2674277764555903
Energy: 0.3180016358081295
Energy: 0.27622648172263253
Energy: 0.3616149685598815
Energy: 0.27622648171898084
Energy: 0.2795023679586397
Energy: 0.2715141607793013
Energy: 0.36103407605777177
Energy: 0.2715141607793013
Energy: 0.2674722369165365
Energy: 0.2676810851389324
Energy: 0.3267223235253896
Energy: 0.2676810851389324
Energy: 0.27090203822647485
Energy: 0.2686117013867807
Energy: 0.3369755203062528
Energy: 0.2686117013863749
Energy: 0.29883466502971995
Energy: 0.28042437999409325
Energy: 0.3443101024640596
Energy: 0.28042437999449904
Energy: 0.3034705215163407
Energy: 0.2624199439789223
Energy: 0.26386881589396366
Energy: 0.2624199439781108
Energy: 0.2914104306347666
Energy: 0.2620259177383024
Energy: 0.2623221281288092
Energy: 0.2620259177378967
Energy: 0.3384310315254335
Energy: 0.26315859183295476
Energy: 0.26169384695640174
Energy: 0.263158591832549
Energy: 0.3386593098636651
Energy: 0.26338915722241385
Energy: 0.3268612068971165
Energy: 0.26338915722200806
Energy: 0.3143406316128844
Energy: 0.2815454710032481
Energy: 0.3067103538987277
Energy: 0.2815454710032481
Energy: 0.26774352887223646
Energy: 0.2678195139955808
Energy: 0.3070391826991958
Energy: 0.26781951399598647
Energy: 0.2694976120991141
Energy: 0.2677410763155505
Energy: 0.31001660594478575
Energy: 0.2677410763155505
Energy: 0.26838899028401064
Energy: 0.26753043514040437
Energy: 0.26037796275854186
Energy: 0.26753043514040437
Energy: 0.3091796554865048
Energy: 0.2685980127590646
Energy: 0.2728574116377863
Energy: 0.2685980127590646
Energy: 0.30510089056309264
Energy: 0.29204192970543363
Energy: 0.3090850891304574
Energy: 0.29204192970543363
Energy: 0.3190039447364835
Energy: 0.26759819195045037
Energy: 0.27248772753557465
Energy: 0.26759819195045037
Energy: 0.3607580798142641
Energy: 0.26970833440961356
Energy: 0.31849116717618103
Energy: 0.26970833440961356
Energy: 0.36220017498589696
Energy: 0.2679867748125825
Energy: 0.28007725182610266
Energy: 0.26798677481177097
Energy: 0.32738706034564397
Energy: 0.26777310140764504
Energy: 0.2672358227407204
Energy: 0.2677731014080508
Energy: 0.339981862154335
Energy: 0.2683278804440343
Energy: 0.26968148049983764
Energy: 0.2683278804440343
Energy: 0.3392016991930609
Energy: 0.28056748569451206
Energy: 0.2986046337284887
Energy: 0.2805674856949178
Energy: 0.2632799122057256
Energy: 0.2629437844315074
Energy: 0.3034237405443946
Energy: 0.26294378443191313
Energy: 0.26297072654276765
Energy: 0.26209002014116206
Energy: 0.29062778320667854
Energy: 0.26209002014075633
Energy: 0.2634107532157023
Energy: 0.26263031440857926
Energy: 0.2729491876776308
Energy: 0.26263031440857926
Energy: 0.26329279824372526
Energy: 0.2621111890877723
Energy: 0.33606802188308815
Energy: 0.2621111890873666
Energy: 0.307184911104256
Energy: 0.28110890858835225
Energy: 0.3148767086110264
Energy: 0.2811089085879465
Energy: 0.30638550055936603
Energy: 0.2680202771443069
Energy: 0.26842221274103906
Energy: 0.2680202771443069
Energy: 0.31111903383275075
Energy: 0.26747066672058983
Energy: 0.26828217554967615
Energy: 0.2674706667197783
Energy: 0.3863152907745744
Energy: 0.2675065460165067
Energy: 0.26779483455957587
Energy: 0.2675065460169125

minimum gb energy = 0.26037796275854186 eV
minimum distance =  3.14161171037369 Angstroms
sigma value = 1


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

Energy: 0.35120478973140656
Energy: 0.32164913251702787
Energy: 0.321763222830264
Energy: 0.3216491325164669
Energy: 0.30471715851147707
Energy: 0.25841818381787574
Energy: 0.3102250161423451
Energy: 0.25841818381787574
Energy: 0.31025393731934503
Energy: 0.2884863096563137
Energy: 0.31043594300979827
Energy: 0.2884863096563137
Energy: 0.2633453959976994
Energy: 0.25756350739895123
Energy: 0.3108081172292142
Energy: 0.25756350739895123
Energy: 0.3131822995109887
Energy: 0.2716023186181538
Energy: 0.3079566438245738
Energy: 0.2716023186181538
Energy: 0.2717142852923382
Energy: 0.2606639492399076
Energy: 0.3156718215890504
Energy: 0.2606639492399076
Energy: 0.25701556948175364
Energy: 0.2573722330006488
Energy: 0.31082806075438296
Energy: 0.2573722330006488
Energy: 0.2586730986171683
Energy: 0.25862991920748757
Energy: 0.3537138102240618
Energy: 0.25862991920748757
Energy: 0.3032675006150725
Energy: 0.27556421595160535
Energy: 0.35108099917805147
Energy: 0.27556421595160535
Energy: 0.30704000733788395
Energy: 0.2590860928200679
Energy: 0.2586641796728155
Energy: 0.2590860928206289
Energy: 0.3036987642534188
Energy: 0.2577006803879758
Energy: 0.2571870989760545
Energy: 0.2577006803879758
Energy: 0.35017309490887416
Energy: 0.26081524592950284
Energy: 0.2711614405644182
Energy: 0.26081524592894184
Energy: 0.3536204132788142
Energy: 0.2579752786153217
Energy: 0.2606883502272077
Energy: 0.2579752786153217
Energy: 0.3031596943827655
Energy: 0.25764806889181735
Energy: 0.3092995398051539
Energy: 0.25764806889181735
Energy: 0.2640618356504571
Energy: 0.2882496800307158
Energy: 0.309758734912814
Energy: 0.2882496800301548
Energy: 0.26322969209664016
Energy: 0.25813728434083466
Energy: 0.31804121108461075
Energy: 0.25813728434083466
Energy: 0.2604769357797937
Energy: 0.2986852748213758
Energy: 0.315878639960473
Energy: 0.2986852748213758
Energy: 0.2599962846633045
Energy: 0.25900825402941824
Energy: 0.31548880457311385
Energy: 0.25900825402941824
Energy: 0.257251886775598
Energy: 0.2580682649745072
Energy: 0.3511573022315117
Energy: 0.25806826497394614
Energy: 0.2585245045989977
Energy: 0.3042930252909893
Energy: 0.3531139187737407
Energy: 0.30429302529155033
Energy: 0.30838800837419816
Energy: 0.2761375362000862
Energy: 0.30412638179316764
Energy: 0.2761375362000862
Energy: 0.30783664721890425
Energy: 0.2581960769587758
Energy: 0.25838245505329843
Energy: 0.2581960769587758
Energy: 0.3300558651324833
Energy: 0.25750440964434274
Energy: 0.25756755906773254
Energy: 0.25750440964434274
Energy: 0.3534379180272406
Energy: 0.25769423959413007
Energy: 0.2575272888326834
Energy: 0.25769423959413007

minimum gb energy = 0.25701556948175364 eV
minimum distance =  3.14790956825155 Angstroms
sigma value = 17


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

Energy: 0.3715666836352689
Energy: 0.32280642004071175
Energy: 0.32361551321946147
Energy: 0.3228064200410585
Energy: 0.3198889996761676
Energy: 0.25720746677648176
Energy: 0.2917164988090724
Energy: 0.25720746677648176
Energy: 0.319200970731257
Energy: 0.2967801960295296
Energy: 0.28944464374356565
Energy: 0.2967801960295296
Energy: 0.3148051244442329
Energy: 0.25200397213186343
Energy: 0.2740031300558706
Energy: 0.25200397213255693
Energy: 0.2831414246635493
Energy: 0.25369597741342037
Energy: 0.34043551985249865
Energy: 0.25369597741342037
Energy: 0.2524702405406854
Energy: 0.25661431471631974
Energy: 0.31602658576832526
Energy: 0.25661431471701324
Energy: 0.252553873888258
Energy: 0.25226479164875104
Energy: 0.2720790533580267
Energy: 0.25226479164909776
Energy: 0.253871879340031
Energy: 0.2534054373686951
Energy: 0.3725932574946425
Energy: 0.2534054373680016
Energy: 0.3408538315951307
Energy: 0.25270955258555816
Energy: 0.31961601609650625
Energy: 0.25270955258555816
Energy: 0.28675638582181995
Energy: 0.25831498775887224
Energy: 0.2933093613777312
Energy: 0.25831498775887224
Energy: 0.3388811582791771
Energy: 0.2573482060153739
Energy: 0.26016544710704254
Energy: 0.25734820601572067
Energy: 0.3159672520914763
Energy: 0.2580950414689161
Energy: 0.29416031219620614
Energy: 0.2580950414699563
Energy: 0.32463623568806577
Energy: 0.2565004268032973
Energy: 0.25673559095797965
Energy: 0.25650042680295054
Energy: 0.2570747488559027
Energy: 0.25685480818214945
Energy: 0.25749318541523536
Energy: 0.25685480818249623
Energy: 0.3173431522642048
Energy: 0.2573265488126133
Energy: 0.25827866592541626
Energy: 0.2573265488126133
Energy: 0.3626327943479702
Energy: 0.2681461029106259
Energy: 0.2596819333585651
Energy: 0.26814610290993235
Energy: 0.25714593221241006
Energy: 0.2586669454416446
Energy: 0.34300588446249763
Energy: 0.25866694547873076
Energy: 0.2576946255821775
Energy: 0.25690998366360457
Energy: 0.35098748812278907
Energy: 0.2569099836639513
Energy: 0.2601872702661315
Energy: 0.2573169038885061
Energy: 0.26022167143132013
Energy: 0.25731690388815937
Energy: 0.25896552830421304
Energy: 0.2831887002459776
Energy: 0.3717472420569975
Energy: 0.28318870021027837
Energy: 0.29179693733713863
Energy: 0.2576272857316922
Energy: 0.25704387694981373
Energy: 0.2576272857316922
Energy: 0.2909495952014604
Energy: 0.29691122499518474
Energy: 0.31833953566921286
Energy: 0.29691122499553146
Energy: 0.2718677732350846
Energy: 0.2520992867077302
Energy: 0.3179447704113045
Energy: 0.2520992867091172
Energy: 0.33902824538503434
Energy: 0.252641763598977
Energy: 0.282530336086787
Energy: 0.25264176347074346
Energy: 0.316472412375349
Energy: 0.25324905283818266
Energy: 0.2570676188089693
Energy: 0.25324905283818266
Energy: 0.27366056764843716
Energy: 0.25267446708038294
Energy: 0.2535312314147828
Energy: 0.25267446708038294
Energy: 0.37185398195839287
Energy: 0.25304380769149076
Energy: 0.2549227571879674
Energy: 0.2530438076907972
Energy: 0.3405295856557342
Energy: 0.2525344641509846
Energy: 0.34090781209032306
Energy: 0.25253446415306513
Energy: 0.2925779661438013
Energy: 0.25810129074522303
Energy: 0.28739475708760565
Energy: 0.2581012907455698
Energy: 0.2604747448329298
Energy: 0.25633302637549116
Energy: 0.35111316561090866
Energy: 0.25633302637549116
Energy: 0.2921145662728789
Energy: 0.25810771251062464
Energy: 0.31569196786690895
Energy: 0.25810771251062464
Energy: 0.26613423343867343
Energy: 0.2655241902557171
Energy: 0.31556334497098654
Energy: 0.2655241902560639
Energy: 0.25688207775884503
Energy: 0.2566353893954788
Energy: 0.25731729941874704
Energy: 0.2566353893954788
Energy: 0.2594543584807731
Energy: 0.2574349670154057
Energy: 0.3142164994741231
Energy: 0.2574349670157524
Energy: 0.35213771375388203
Energy: 0.26772846983022985
Energy: 0.3615806212200479
Energy: 0.26772846983022985
Energy: 0.34270983097474916
Energy: 0.2580609930760551
Energy: 0.2570189688272706
Energy: 0.2580609930764019
Energy: 0.35175700357260276
Energy: 0.2567255224025374
Energy: 0.25702039583144687
Energy: 0.25672552240115043
Energy: 0.260141317670973
Energy: 0.2576877859950184
Energy: 0.2722772363716945
Energy: 0.25768778599571185

minimum gb energy = 0.25200397213186343 eV
minimum distance =  3.14630822423493 Angstroms
sigma value = 89


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

Energy: 0.3847825004652521
Energy: 0.23792833202288324
Energy: 0.23851919400064467
Energy: 0.23792833202895575
Energy: 0.2541495674862438
Energy: 0.2377993440654857
Energy: 0.2545314549708359
Energy: 0.23779934406793943
Energy: 0.23440721148105687
Energy: 0.2629598088703811
Energy: 0.25349284461452837
Energy: 0.2629598088703811
Energy: 0.2346678234920535
Energy: 0.23802477676678105
Energy: 0.25321199443996817
Energy: 0.2380247767661522
Energy: 0.24272115802828087
Energy: 0.23810706008879373
Energy: 0.25045508634308483
Energy: 0.23810706008879373
Energy: 0.236801963958024
Energy: 0.23746288373319582
Energy: 0.2504038715839367
Energy: 0.23746288373319582
Energy: 0.23653071108654294
Energy: 0.23654391885789322
Energy: 0.25347547949851584
Energy: 0.23654391885798598
Energy: 0.23789813998024675
Energy: 0.23808423844226878
Energy: 0.23419695836169663
Energy: 0.23808423844236154
Energy: 0.24273484063659123
Energy: 0.23793049527505597
Energy: 0.23425208002078876
Energy: 0.2379304952748807
Energy: 0.31155369068501837
Energy: 0.2628284845468133
Energy: 0.25392908769782324
Energy: 0.26282848454672053
Energy: 0.2539560315427328
Energy: 0.26353838668145174
Energy: 0.23367701917657815
Energy: 0.263538386681359
Energy: 0.2503522903614108
Energy: 0.23770364797413163
Energy: 0.25347124834387563
Energy: 0.23770364797430688
Energy: 0.250510186263665
Energy: 0.23746798011703085
Energy: 0.23770791815243159
Energy: 0.2374679801171236
Energy: 0.2529028024437206
Energy: 0.236401189076228
Energy: 0.23609232391616833
Energy: 0.236401189076228
Energy: 0.23441498257521362
Energy: 0.23717869931194485
Energy: 0.23743852518315803
Energy: 0.23717869931194485

minimum gb energy = 0.23367701917657815 eV
minimum distance =  3.17684647661233 Angstroms
sigma value = 13


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

Energy: 0.342379767551541
Energy: 0.22970286823895586
Energy: 0.30363977277117277
Energy: 0.2297028682248859
Energy: 0.3117642487291572
Energy: 0.22878584597754753
Energy: 0.25736195709152426
Energy: 0.22878584597830806
Energy: 0.335225419586867
Energy: 0.2277534080833063
Energy: 0.2559334271921561
Energy: 0.2277534080833063
Energy: 0.2797369440017247
Energy: 0.2464649374036843
Energy: 0.2602058679692867
Energy: 0.2464649374018002
Energy: 0.2549396542582538
Energy: 0.2464906292262055
Energy: 0.30914742315561755
Energy: 0.2464906292262055
Energy: 0.2573201441465935
Energy: 0.22835545632556425
Energy: 0.30943907780133245
Energy: 0.22835545632556425
Energy: 0.25632221183856096
Energy: 0.22810853555700286
Energy: 0.3218056475230188
Energy: 0.22810853555738309
Energy: 0.25723598150048665
Energy: 0.2285706302756327
Energy: 0.3247328281731019
Energy: 0.22857063027639324
Energy: 0.23016377585254458
Energy: 0.22876461259096573
Energy: 0.3159384349063719
Energy: 0.22876461259096573
Energy: 0.22855416800316689
Energy: 0.22863552251440455
Energy: 0.3175102844582243
Energy: 0.2286355225155454
Energy: 0.22826234752608637
Energy: 0.23037248161976542
Energy: 0.34299054878057245
Energy: 0.2303724816201457
Energy: 0.31347847294247505
Energy: 0.2277333835055455
Energy: 0.31692853076255445
Energy: 0.22773338350516528
Energy: 0.30983837578874657
Energy: 0.24358145292278902
Energy: 0.3131387331990165
Energy: 0.24358145292240876
Energy: 0.3229699493526785
Energy: 0.22786513199165823
Energy: 0.28019113681547475
Energy: 0.22786513199165823
Energy: 0.31152879606150446
Energy: 0.22846729877611444
Energy: 0.30022121670688023
Energy: 0.22846729877573416
Energy: 0.3117123317769886
Energy: 0.22830932659022196
Energy: 0.22925224981614267
Energy: 0.2283093265898417
Energy: 0.3217655866900409
Energy: 0.22845211212517263
Energy: 0.2291999564453834
Energy: 0.2284521121244121
Energy: 0.34312672684044937
Energy: 0.22849547310451998
Energy: 0.23015084835082536
Energy: 0.22849547310451998
Energy: 0.2796328610772793
Energy: 0.22907645408234736
Energy: 0.2652686906287029
Energy: 0.22907645408234736
Energy: 0.31724398882780735
Energy: 0.22784488116165139
Energy: 0.2547549783084087
Energy: 0.22784488116165139
Energy: 0.27895855030148836
Energy: 0.2300502056207104
Energy: 0.2564842046612408
Energy: 0.2300502056207104
Energy: 0.3167373357673823
Energy: 0.24569321043752124
Energy: 0.3094995742292986
Energy: 0.2456932104367607
Energy: 0.2611771964902753
Energy: 0.22895444300229878
Energy: 0.30929000195043244
Energy: 0.22895444300229878
Energy: 0.22923373729722096
Energy: 0.22764698277770037
Energy: 0.3162911185611915
Energy: 0.22764698277808065
Energy: 0.255848677789345
Energy: 0.2282585332022358
Energy: 0.3119271564805309
Energy: 0.22825853320261608
Energy: 0.23375281603969195
Energy: 0.23336808379626905
Energy: 0.3119171875562744
Energy: 0.23336808379588875
Energy: 0.22812198723933028
Energy: 0.2278852570947983
Energy: 0.31472974449188046
Energy: 0.22788525709441806
Energy: 0.23176053971378285
Energy: 0.22937170440396334
Energy: 0.34389780098673495
Energy: 0.2293717044035831
Energy: 0.3127669318964587
Energy: 0.22820287684940757
Energy: 0.2809213487890089
Energy: 0.22820287684978782
Energy: 0.2542968183997513
Energy: 0.24430917464131124
Energy: 0.3130574701515627
Energy: 0.24430917464131124
Energy: 0.31466172564730405
Energy: 0.2454933376838327
Energy: 0.27943654006809254
Energy: 0.24549333768345244
Energy: 0.3116757071598167
Energy: 0.22865384267531824
Energy: 0.3137650557234851
Energy: 0.22865384267531824
Energy: 0.3115470353725789
Energy: 0.22871760164432478
Energy: 0.23079501313253953
Energy: 0.22871760164432478
Energy: 0.32314109168024335
Energy: 0.22785371312154154
Energy: 0.22821851613753852
Energy: 0.22785371312154154
Energy: 0.28094659195253713
Energy: 0.22841849995416852
Energy: 0.2296468882792811
Energy: 0.2284184999530277

minimum gb energy = 0.22764698277770037 eV
minimum distance =  3.17081449101336 Angstroms
sigma value = 37


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

Energy: 0.2975618790535359
Energy: 0.2097466391802618
Energy: 0.2096907554665241
Energy: 0.2097466391784998
Energy: 0.311562065647873
Energy: 0.20977565216433205
Energy: 0.25901157566920247
Energy: 0.20977565216420568
Energy: 0.30475741352605734
Energy: 0.23721834771297498
Energy: 0.258799761250806
Energy: 0.2372183477131088
Energy: 0.30015289993613586
Energy: 0.23736387344436907
Energy: 0.2598445158013818
Energy: 0.23736387344404192
Energy: 0.30955422662312193
Energy: 0.2377059143424455
Energy: 0.2545095020412501
Energy: 0.2377059143423191
Energy: 0.259004267029956
Energy: 0.20983089200921096
Energy: 0.3100244761211573
Energy: 0.20983089200967187
Energy: 0.20929295914099746
Energy: 0.20938095068528662
Energy: 0.3108192016120411
Energy: 0.20938095068535356
Energy: 0.21852692690478576
Energy: 0.2099997677229552
Energy: 0.31026989967370006
Energy: 0.20999976772302212
Energy: 0.20980533980017804
Energy: 0.21045559120321566
Energy: 0.30785824156448716
Energy: 0.21045559120308927
Energy: 0.209919124499205
Energy: 0.20997004827892904
Energy: 0.3115459665495799
Energy: 0.20997004827912977
Energy: 0.20969075542362667
Energy: 0.20974663917810576
Energy: 0.29756187905366227
Energy: 0.20974663917810576
Energy: 0.25901157566926936
Energy: 0.209775652164399
Energy: 0.31156206564734507
Energy: 0.2097756521642726
Energy: 0.258799761250806
Energy: 0.23721834771297498
Energy: 0.3047574135257897
Energy: 0.23721834771317568
Energy: 0.2598445158009877
Energy: 0.23736387344423523
Energy: 0.3001528999363961
Energy: 0.23736387344423523
Energy: 0.2545095020412501
Energy: 0.2377059143424455
Energy: 0.30955422662312193
Energy: 0.2377059143421184
Energy: 0.310024476121425
Energy: 0.20983089200927782
Energy: 0.2590042670300229
Energy: 0.20983089200986518
Energy: 0.31081920161190724
Energy: 0.20938095068542045
Energy: 0.2092929591411238
Energy: 0.20938095068535356
Energy: 0.31026989967376695
Energy: 0.20999976772275447
Energy: 0.21852692690497905
Energy: 0.2099997677229552
Energy: 0.3078582415647474
Energy: 0.21045559120295546
Energy: 0.20980533980017804
Energy: 0.21045559120295546
Energy: 0.3115459665496468
Energy: 0.20997004827918925
Energy: 0.20991912449907119
Energy: 0.20997004827899596

minimum gb energy = 0.20929295914099746 eV
minimum distance =  3.18044203794182 Angstroms
sigma value = 25


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

Energy: 0.35233910354906756
Energy: 0.18827197801590156
Energy: 0.1880332006614916
Energy: 0.18827197798985848
Energy: 0.30064002583253474
Energy: 0.18816038806674942
Energy: 0.22291834963125476
Energy: 0.18816038806674942
Energy: 0.3317188365934345
Energy: 0.1878893190608734
Energy: 0.22307774404877165
Energy: 0.1878893190608734
Energy: 0.2538636628834717
Energy: 0.21043379962679723
Energy: 0.27108809021807384
Energy: 0.21043379962679723
Energy: 0.27250793650676997
Energy: 0.18809319297366106
Energy: 0.295119290415453
Energy: 0.1880931930078782
Energy: 0.2561669204837201
Energy: 0.2098406451104899
Energy: 0.29956584008464715
Energy: 0.2098406451104899
Energy: 0.2557793487963081
Energy: 0.18812500231725943
Energy: 0.27160693261638075
Energy: 0.18812500231674853
Energy: 0.27027341041757236
Energy: 0.18996408502140655
Energy: 0.30373736263284323
Energy: 0.18996408502140655
Energy: 0.2228761779387873
Energy: 0.18788591903194718
Energy: 0.30061909212066595
Energy: 0.18788591903194718
Energy: 0.2279769573912127
Energy: 0.18812615793342474
Energy: 0.30057813556979773
Energy: 0.1881261579339356
Energy: 0.18789011123470656
Energy: 0.1879282491990157
Energy: 0.30254954618310326
Energy: 0.1879282491990157
Energy: 0.18920574937269435
Energy: 0.18817657120924974
Energy: 0.3008164386499004
Energy: 0.188176571209749
Energy: 0.18867064700461295
Energy: 0.1889843333936388
Energy: 0.2560278862548637
Energy: 0.1889843333936388
Energy: 0.22623102559542504
Energy: 0.18950135142143829
Energy: 0.35346044170515356
Energy: 0.18950135142143829
Energy: 0.2225085344955264
Energy: 0.18767510942350138
Energy: 0.3020930454660036
Energy: 0.18767510942350138
Energy: 0.22167348601477976
Energy: 0.1885169543324023
Energy: 0.33276228232936866
Energy: 0.1885169543324023
Energy: 0.3017458122765256
Energy: 0.21025253989726145
Energy: 0.33434812787858437
Energy: 0.21025253989726145
Energy: 0.22050022782703857
Energy: 0.18767099145392332
Energy: 0.2720101069286941
Energy: 0.18767099145034719
Energy: 0.299564519782339
Energy: 0.21013785480376332
Energy: 0.2562730079018261
Energy: 0.21013785480376332
Energy: 0.300860784604085
Energy: 0.20985667100803468
Energy: 0.25604234526949415
Energy: 0.20985667100803468
Energy: 0.3031571076353211
Energy: 0.18800334093958238
Energy: 0.22166916200868153
Energy: 0.188003340941115
Energy: 0.30108126192018875
Energy: 0.18758421759172647
Energy: 0.18792463105748755
Energy: 0.1875842175912156
Energy: 0.2998418769833981
Energy: 0.18891738311123576
Energy: 0.2215600136030788
Energy: 0.18891738311123576
Energy: 0.30323454240852094
Energy: 0.1903967399511504
Energy: 0.1885236293821226
Energy: 0.1903967399511504
Energy: 0.30166182568475713
Energy: 0.18770118716614345
Energy: 0.1879205609533938
Energy: 0.18770118716614345
Energy: 0.3321405719470482
Energy: 0.18857443559797937
Energy: 0.18985040518319427
Energy: 0.18857443559797937

minimum gb energy = 0.1875842175912156 eV
minimum distance =  3.17401699238356 Angstroms
sigma value = 41


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

Energy: 0.3870337889962151
Energy: 0.1732816309762152
Energy: 0.17322068551224623
Energy: 0.17328163099630978
Energy: 0.3226907320078484
Energy: 0.17171780720955257
Energy: 0.20002914359566115
Energy: 0.17171780720955257
Energy: 0.3490200488221423
Energy: 0.17165124420416347
Energy: 0.19930810156530934
Energy: 0.17165124420500116
Energy: 0.3014271428189756
Energy: 0.17357989606947868
Energy: 0.2373744231289931
Energy: 0.17357989606738453
Energy: 0.2982408880050131
Energy: 0.17115304654845534
Energy: 0.2609971536409988
Energy: 0.17115304654845534
Energy: 0.2951738433987667
Energy: 0.17161664975548743
Energy: 0.2614667869641048
Energy: 0.17161664993759504
Energy: 0.2964939358108067
Energy: 0.19047199634608455
Energy: 0.2992048488596226
Energy: 0.1904719963456657
Energy: 0.26643928460784644
Energy: 0.19174919958483172
Energy: 0.26300709772953856
Energy: 0.19174919958483172
Energy: 0.22540137943977404
Energy: 0.1893519854749108
Energy: 0.3223692810026809
Energy: 0.18935198547449195
Energy: 0.22614541149939735
Energy: 0.1712204978488304
Energy: 0.3230326920695285
Energy: 0.17122049784799273
Energy: 0.2021772317829557
Energy: 0.1742888684401308
Energy: 0.3443578532493397
Energy: 0.1742888684401308
Energy: 0.1980562633663634
Energy: 0.17114190323727962
Energy: 0.3224827565893768
Energy: 0.17114190323686077
Energy: 0.20014148704218815
Energy: 0.17220385060576388
Energy: 0.32268317954840536
Energy: 0.17220385060576388
Energy: 0.1718770810685047
Energy: 0.17367483710605414
Energy: 0.32693752507581253
Energy: 0.17367483710647294
Energy: 0.17162836950019145
Energy: 0.17160928574799797
Energy: 0.2982312305641431
Energy: 0.17160928574841683
Energy: 0.17325143870887422
Energy: 0.17203916717358034
Energy: 0.3493955844303257
Energy: 0.17203916717358034
Energy: 0.20526903261404117
Energy: 0.17286642726281012
Energy: 0.3505738690201138
Energy: 0.1728664272674078
Energy: 0.1978130670433817
Energy: 0.17150160374766368
Energy: 0.3488039223579729
Energy: 0.17150160374766368
Energy: 0.2015670621846048
Energy: 0.1728759246189105
Energy: 0.295993039504485
Energy: 0.17287592461932932
Energy: 0.26832176119093765
Energy: 0.17208002727415625
Energy: 0.29529017790394335
Energy: 0.17208002727415625
Energy: 0.26298555756289255
Energy: 0.17115751926841444
Energy: 0.3228101031341399
Energy: 0.17115751925460243
Energy: 0.2629221711837909
Energy: 0.1898316907405632
Energy: 0.297408400950479
Energy: 0.18983169072088746
Energy: 0.3224037470260921
Energy: 0.18940216967987644
Energy: 0.29504684263078723
Energy: 0.18940216967987644
Energy: 0.26289118070899214
Energy: 0.19022911296005313
Energy: 0.26239672688056337
Energy: 0.1902291129713617
Energy: 0.3232919526391558
Energy: 0.17119733506227375
Energy: 0.22374022867497947
Energy: 0.17119733506185494
Energy: 0.32277893170072025
Energy: 0.17213202416293052
Energy: 0.2648585340883488
Energy: 0.17213202416460585
Energy: 0.3238895501661265
Energy: 0.17282022659663188
Energy: 0.19795040989822824
Energy: 0.17282022659621307
Energy: 0.2984230974173421
Energy: 0.17122366172389936
Energy: 0.19726098839645587
Energy: 0.17122366172515588
Energy: 0.32336026257964295
Energy: 0.17278011729657683
Energy: 0.2043263232422266
Energy: 0.17278011729615803
Energy: 0.322448765102936
Energy: 0.17211689147322445
Energy: 0.17505959340200955
Energy: 0.17211689147280562
Energy: 0.2981426208600887
Energy: 0.17133996490231682
Energy: 0.17153104634860383
Energy: 0.17133996490231682
Energy: 0.3518353602352215
Energy: 0.1735684869612441
Energy: 0.17569881903774964
Energy: 0.17356848696166294

minimum gb energy = 0.17114190323686077 eV
minimum distance =  3.18419129551722 Angstroms
sigma value = 15


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

Energy: 0.3349675680637748
Energy: 0.16028802667406772
Energy: 0.1601969073066775
Energy: 0.16028802646056753
Energy: 0.33739671397365334
Energy: 0.1591364221030744
Energy: 0.18179188807728652
Energy: 0.1591364221030744
Energy: 0.3607315253714174
Energy: 0.1586689524236188
Energy: 0.1822977584318951
Energy: 0.15866895243568246
Energy: 0.31741772831936094
Energy: 0.16044763526222172
Energy: 0.24158434969936743
Energy: 0.1604476352629313
Energy: 0.31770785603915247
Energy: 0.15812540155609708
Energy: 0.23495426427415816
Energy: 0.15812540155609708
Energy: 0.3146426769564366
Energy: 0.15842202284936968
Energy: 0.23551689659633543
Energy: 0.15842202284972454
Energy: 0.26588302284196375
Energy: 0.15954064026422865
Energy: 0.2916560148504669
Energy: 0.15954064026742198
Energy: 0.2933254771784695
Energy: 0.17411691904078638
Energy: 0.23388389292445
Energy: 0.17411691904859225
Energy: 0.2655953127088408
Energy: 0.17372386223049227
Energy: 0.2902976551842743
Energy: 0.17372386223049227
Energy: 0.2653912060198633
Energy: 0.17353254994763392
Energy: 0.3374096924782114
Energy: 0.17353254994266654
Energy: 0.2389288340786652
Energy: 0.16012007016529736
Energy: 0.3006677229944577
Energy: 0.16012007018869884
Energy: 0.2025267736926241
Energy: 0.15800809312688746
Energy: 0.3373007924318534
Energy: 0.15800809312688746
Energy: 0.23577910229130197
Energy: 0.15873848029335066
Energy: 0.3374831083994739
Energy: 0.1587384803032854
Energy: 0.18837311325377026
Energy: 0.16027818096459373
Energy: 0.2916153366486893
Energy: 0.1602781810142352
Energy: 0.180233385721486
Energy: 0.15829788308937087
Energy: 0.31713084591862106
Energy: 0.15829788308972567
Energy: 0.18692585808305384
Energy: 0.1596542332201408
Energy: 0.3383910111313868
Energy: 0.15965423320630312
Energy: 0.1619530162355749
Energy: 0.15978396941234685
Energy: 0.3393480207477059
Energy: 0.15978396941163722
Energy: 0.15857523473328983
Energy: 0.1582510402292084
Energy: 0.35947448268200416
Energy: 0.15825104022956324
Energy: 0.16163121945817466
Energy: 0.1595614119476719
Energy: 0.3155650363790005
Energy: 0.1595614119448334
Energy: 0.18539433963631013
Energy: 0.15945440710316194
Energy: 0.36154215441551024
Energy: 0.15945440710351677
Energy: 0.1800596187559453
Energy: 0.1581098977832194
Energy: 0.3170969648825342
Energy: 0.15810989778392903
Energy: 0.18509814934571783
Energy: 0.1600867629634057
Energy: 0.3166342259102347
Energy: 0.16008676297014715
Energy: 0.23620451712896323
Energy: 0.15891834188594797
Energy: 0.31386278066182377
Energy: 0.15891834188594797
Energy: 0.23517374894529272
Energy: 0.15806843975123028
Energy: 0.3377903795108483
Energy: 0.15806843975087548
Energy: 0.24100489469725037
Energy: 0.15983619120702516
Energy: 0.26536462201351463
Energy: 0.15983619120702516
Energy: 0.2904489565250543
Energy: 0.1740908438600108
Energy: 0.3167786765824251
Energy: 0.17409084385894635
Energy: 0.23483860250374192
Energy: 0.17392341170933315
Energy: 0.290769532791526
Energy: 0.173923411709688
Energy: 0.29305200518569113
Energy: 0.1745821174481835
Energy: 0.26581256995353586
Energy: 0.17458211749711536
Energy: 0.290887969943893
Energy: 0.1589346218849188
Energy: 0.29095680525868206
Energy: 0.158934621884564
Energy: 0.29014212328212274
Energy: 0.15844780026166297
Energy: 0.2356219111089107
Energy: 0.15844780026130817
Energy: 0.3169107335185182
Energy: 0.15807868069326053
Energy: 0.202622487725601
Energy: 0.15807868069432496
Energy: 0.2914463070639363
Energy: 0.1601038547471902
Energy: 0.24149643458360598
Energy: 0.1601038547439969
Energy: 0.33766183121737264
Energy: 0.15897786661887564
Energy: 0.18194776300935317
Energy: 0.158977866618166
Energy: 0.33739212632988197
Energy: 0.1586764565312444
Energy: 0.18146886929266598
Energy: 0.15867645653053475
Energy: 0.37286307370851246
Energy: 0.18386400140178918
Energy: 0.18859972235407285
Energy: 0.18386400120248145
Energy: 0.3374513056713448
Energy: 0.15919650638751995
Energy: 0.1600650509171844
Energy: 0.15919650638822958
Energy: 0.35998348720802975
Energy: 0.15920533497276015
Energy: 0.15994800666213857
Energy: 0.15920533497311493

minimum gb energy = 0.15800809312688746 eV
minimum distance =  3.17537784808777 Angstroms
sigma value = 85


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

Energy: 0.37363643502149263
Energy: 0.16505241965447354
Energy: 0.1533147708001651
Energy: 0.16505241965355033
Energy: 0.34483705240244555
Energy: 0.14371171235647487
Energy: 0.16243856069372703
Energy: 0.14371171235709032
Energy: 0.3344396226501185
Energy: 0.14363352179603286
Energy: 0.16414551031869512
Energy: 0.14363352179603286
Energy: 0.29988474124976616
Energy: 0.14317068087613666
Energy: 0.21325260305017166
Energy: 0.14317068086998905
Energy: 0.3270900904779452
Energy: 0.1430461304918346
Energy: 0.21100556515753693
Energy: 0.1430461304918346
Energy: 0.29212749973405683
Energy: 0.14337440191946293
Energy: 0.21216097153622895
Energy: 0.1433744019191552
Energy: 0.2935070841726576
Energy: 0.1437261780101466
Energy: 0.26282128541695593
Energy: 0.14372617799907533
Energy: 0.3040463028454984
Energy: 0.1430936648193027
Energy: 0.2214381457020303
Energy: 0.14309366487189643
Energy: 0.2934762611247306
Energy: 0.14340592273396138
Energy: 0.2613647612847872
Energy: 0.14340592274810995
Energy: 0.2931350312531344
Energy: 0.170878205908883
Energy: 0.3038061162559395
Energy: 0.170878205908883
Energy: 0.2608691926243684
Energy: 0.14358454504835058
Energy: 0.2800711389373799
Energy: 0.14358454435257462
Energy: 0.2500468128016386
Energy: 0.14272667330916539
Energy: 0.30397794549476054
Energy: 0.14272667331777483
Energy: 0.26100259264032505
Energy: 0.14293622644144693
Energy: 0.31359838955974667
Energy: 0.14293622643744644
Energy: 0.20925906388400164
Energy: 0.14425154327149795
Energy: 0.27228321761489704
Energy: 0.14425154327180567
Energy: 0.1941710166648705
Energy: 0.1428293990936623
Energy: 0.3439017173571172
Energy: 0.14282939909857897
Energy: 0.20938430671173158
Energy: 0.14334410746438814
Energy: 0.3140370336162099
Energy: 0.14334410746531132
Energy: 0.16792736050157103
Energy: 0.1441280598050216
Energy: 0.31534020360281073
Energy: 0.14412805979795082
Energy: 0.16593205687045975
Energy: 0.14271313896739857
Energy: 0.326354220905606
Energy: 0.14271313896709084
Energy: 0.16672927195682544
Energy: 0.14360590794784323
Energy: 0.3533314668195573
Energy: 0.1436059079463116
Energy: 0.15208176284657152
Energy: 0.14334053865316598
Energy: 0.3532608787171512
Energy: 0.1433405386534737
Energy: 0.15204350884295745
Energy: 0.14229242364889277
Energy: 0.3258160020601679
Energy: 0.14229242364858502
Energy: 0.15345416650778368
Energy: 0.14225784506012318
Energy: 0.323419509933132
Energy: 0.14225784506012318
Energy: 0.1713698049171338
Energy: 0.14298832690942764
Energy: 0.32446945798058835
Energy: 0.14298832690942764
Energy: 0.17225030282575043
Energy: 0.14274664243760815
Energy: 0.3631641984718352
Energy: 0.14274664243791588
Energy: 0.17156909635264403
Energy: 0.1423810935749991
Energy: 0.30940316620495384
Energy: 0.1423810935749991
Energy: 0.21608625748501445
Energy: 0.1429771197259491
Energy: 0.3545804304753721
Energy: 0.1429771197259491
Energy: 0.21556612089113225
Energy: 0.1426567816802662
Energy: 0.3341138719872466
Energy: 0.14265678166764925
Energy: 0.24261412546408145
Energy: 0.14397906834863594
Energy: 0.310714159562608
Energy: 0.14397906836493862
Energy: 0.2594320269867227
Energy: 0.14262861001459143
Energy: 0.32447805709670813
Energy: 0.14262861002966318
Energy: 0.2594149602468743
Energy: 0.14267594585157045
Energy: 0.29246582930863885
Energy: 0.14267594585157045
Energy: 0.3053381808834704
Energy: 0.1709224356386325
Energy: 0.2490098245103429
Energy: 0.17092243564140203
Energy: 0.2705609958454169
Energy: 0.17121918372703918
Energy: 0.2976756081836342
Energy: 0.17121918376886938
Energy: 0.30377325607768835
Energy: 0.1862869624146292
Energy: 0.24886213326817036
Energy: 0.1862869624146292
Energy: 0.3277675695936468
Energy: 0.14330582169413625
Energy: 0.249031852642642
Energy: 0.143305821694444
Energy: 0.27891740213676813
Energy: 0.14424526076226485
Energy: 0.25919922909120285
Energy: 0.14424525484663747
Energy: 0.34477805520323723
Energy: 0.14299060822256007
Energy: 0.2108736071628514
Energy: 0.14299060822286783
Energy: 0.35444286996586
Energy: 0.14347910131521277
Energy: 0.21182536289665396
Energy: 0.14347910131552052
Energy: 0.3420436200884176
Energy: 0.14325971611469998
Energy: 0.16436582648291714
Energy: 0.14325971611469998
Energy: 0.3269298286514694
Energy: 0.14311591374414306
Energy: 0.16277971991928322
Energy: 0.14311591374383534
Energy: 0.35527321312898286
Energy: 0.14334137746426318
Energy: 0.16245627711700866
Energy: 0.14334137746395545
Energy: 0.3125094423048555
Energy: 0.14329768464031656
Energy: 0.14317105172187436
Energy: 0.14329768464062428
Energy: 0.32699097509458036
Energy: 0.14326437464375502
Energy: 0.14322769788499323
Energy: 0.14326437464406278
Energy: 0.3337263724543869
Energy: 0.14364074726017226
Energy: 0.1435663853714011
Energy: 0.14364074725986453

minimum gb energy = 0.14225784506012318 eV
minimum distance =  3.17967725927101 Angstroms
sigma value = 113


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

Energy: 0.0047486087022152335
Energy: 0.11633120133424034
Energy: 0.26824668019618414
Energy: 0.11633120133401689
Energy: 0.25221905766159386
Energy: 0.03499892330529193
Energy: 0.18589355231791485
Energy: 0.03499892330576506
Energy: 0.005313296409499852
Energy: 0.034604895602540056
Energy: 0.18537895014823394
Energy: 0.034604895602540056
Energy: 0.005251310774324135
Energy: 0.03563304494271493
Energy: 0.18710522346057995
Energy: 0.03563304494271493
Energy: 0.18572048484531362
Energy: 0.0354904616781525
Energy: 0.18666414628310574
Energy: 0.0354904616781525
Energy: 0.00717716387514707
Energy: 0.03453600251619557
Energy: 0.1853746414786733
Energy: 0.03453600251641899

minimum gb energy = 0.0047486087022152335 eV
minimum distance =  3.45915435516693 Angstroms
sigma value = 1