Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
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=3.523999765515327
cohesive_energy=4.440349234879022
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: 0.0 eV

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

Energy: 0.018078242593082577
Energy: 0.018421477950255387
Energy: 0.018294294659787703
Energy: 0.018421477950255387
Energy: 0.018421477950255387
Energy: 1.0729520438797846
Energy: 0.018421477950255387
Energy: 1.0729520438797846
Energy: 0.01829429466107109
Energy: 0.018421477950255387
Energy: 0.018078242593742605
Energy: 0.018421477950255387
Energy: 0.018421477950255387
Energy: 1.0729520438797846
Energy: 0.018421477950255387
Energy: 1.0729520438797846

minimum gb energy = 0.018078242593082577 eV
minimum distance =  2.42249158358744 Angstroms
sigma value = 1


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

Energy: 1.3058174987010807
Energy: 1.3629154447040746
Energy: 1.2033274506250422
Energy: 1.3629154447040746
Energy: 1.2615993564314723
Energy: 1.3192268112697993
Energy: 1.2444441027652218
Energy: 1.3192268112705998
Energy: 1.1933810212876603
Energy: 1.3429991079326935
Energy: 1.2409142573725078
Energy: 1.3429991079326935
Energy: 1.22836815190301
Energy: 1.3553469180768158
Energy: 1.2147783012147946
Energy: 1.3553469180768158
Energy: 1.2313778694799595
Energy: 1.3640158669695606
Energy: 1.2510531152194146
Energy: 1.3640158669687599
Energy: 1.197262466463904
Energy: 1.330530453904911
Energy: 1.1678261292552798
Energy: 1.3305304539057115
Energy: 1.2658636595894146
Energy: 1.3430489325191761
Energy: 1.1988176411072544
Energy: 1.3430489325199768
Energy: 1.1309957664654244
Energy: 1.3648200226346612
Energy: 1.1544111579006773
Energy: 1.3648200226354616
Energy: 1.2177303475079921
Energy: 1.2458829304907855
Energy: 1.256200848544755
Energy: 1.2458829304915862
Energy: 1.158494516092614
Energy: 1.3422336533941894
Energy: 1.1224496377786448
Energy: 1.3422336533933887
Energy: 1.2520996732469472
Energy: 1.3337371715133712
Energy: 1.217705941193259
Energy: 1.3337371715125708
Energy: 1.2263702025690362
Energy: 1.3651792140284067
Energy: 1.175115502218761
Energy: 1.3651792140276064
Energy: 1.2411996984169034
Energy: 1.3421356882042892
Energy: 1.2662384130290227
Energy: 1.3421356882050897
Energy: 1.247839807451933
Energy: 1.3481752843414494
Energy: 1.2006377290978039
Energy: 1.3481752843430506
Energy: 1.2338528986604491
Energy: 1.3627124024494437
Energy: 1.2411112086329779
Energy: 1.3627124024510449
Energy: 1.2441290877628188
Energy: 1.3632112714390934
Energy: 1.2410078438810093
Energy: 1.3632112714390934
Energy: 1.2408173042355355
Energy: 1.3429011574840544
Energy: 1.1698468396574
Energy: 1.3429011574824536
Energy: 1.2444907113083257
Energy: 1.3241032611224626
Energy: 1.2627920959168686
Energy: 1.3241032611232633
Energy: 1.16598845333131
Energy: 1.3640205107749024
Energy: 1.1739387405546287
Energy: 1.3640205107749024
Energy: 1.243212356629646
Energy: 1.2458308303563046
Energy: 1.222827926572612
Energy: 1.2458308303547037
Energy: 1.162345818514013
Energy: 1.342487656829553
Energy: 1.1394179743450334
Energy: 1.3424876568287523
Energy: 1.215028381954817
Energy: 1.2553722627153165
Energy: 1.2446449754757176
Energy: 1.2553722627153165
Energy: 1.2432633822418393
Energy: 1.3641485375618294
Energy: 1.18062636530627
Energy: 1.3641485375618294
Energy: 1.2137186490232867
Energy: 1.3424153050179786
Energy: 1.1973851613858548
Energy: 1.342415305018779
Energy: 1.1990339796379426
Energy: 1.3278580076669546
Energy: 1.2661826862404741
Energy: 1.3278580076669546
Energy: 1.2356132146759389
Energy: 1.3652337649978665
Energy: 1.1798773442862625
Energy: 1.3652337649978665
Energy: 1.2394085650930686
Energy: 1.3257880171044047
Energy: 1.2174946865804073
Energy: 1.3257880171052052
Energy: 1.1789224097466489
Energy: 1.3420695928228932
Energy: 1.2789509067282032
Energy: 1.3420695928212922
Energy: 1.2605867705785547
Energy: 1.3165729179612502
Energy: 1.2428898494685965
Energy: 1.316572917962051
Energy: 1.302864215044706
Energy: 1.3635200031247252
Energy: 1.2286105706793968
Energy: 1.3635200031247252
Energy: 1.2555873225552965
Energy: 1.3334197609115637
Energy: 1.2412086853129447
Energy: 1.3334197609115637
Energy: 1.2142793461459578
Energy: 1.3436045341790324
Energy: 1.2485429516164106
Energy: 1.343604534180633
Energy: 1.2310879797935586
Energy: 1.3586577826745068
Energy: 1.214820670997568
Energy: 1.358657782673706

minimum gb energy = 1.1224496377786448 eV
minimum distance =  2.22340294105104 Angstroms
sigma value = 1


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

Energy: 1.3808690136371278
Energy: 1.3815435451670386
Energy: 1.2582820650180386
Energy: 1.3815435451679512
Energy: 1.2857048765184667
Energy: 1.3980470260404816
Energy: 1.2883313887743242
Energy: 1.3980470260395688
Energy: 1.2270415413659415
Energy: 1.3662298023454513
Energy: 1.2762378795936693
Energy: 1.3662298023445387
Energy: 1.217969456965629
Energy: 1.2650392302517932
Energy: 1.232944504566767
Energy: 1.2650392302517932
Energy: 1.2176359482557073
Energy: 1.415999289269893
Energy: 1.2790351605488948
Energy: 1.4159992892708058
Energy: 1.2940404871526003
Energy: 1.4162599596092136
Energy: 1.2426488883276348
Energy: 1.4162599596092136
Energy: 1.2837397377200386
Energy: 1.264190399755955
Energy: 1.263219899443176
Energy: 1.264190399755955
Energy: 1.1631117453673634
Energy: 1.3657740094040227
Energy: 1.1916832078909065
Energy: 1.36577400940311
Energy: 1.236382982915263
Energy: 1.3129087061645597
Energy: 1.287389839053259
Energy: 1.3129087061645597
Energy: 1.2164900777264802
Energy: 1.3651537779267857
Energy: 1.258736575757816
Energy: 1.3651537779267857
Energy: 1.2842749749821782
Energy: 1.296132947740167
Energy: 1.275353331012641
Energy: 1.2961329477410797
Energy: 1.1969781662735683
Energy: 1.4297011940470925
Energy: 1.2759593081140401
Energy: 1.4297011940470925
Energy: 1.3079222601916498
Energy: 1.4114921854527478
Energy: 1.2536720396801804
Energy: 1.4114921854527478
Energy: 1.3144172517515105
Energy: 1.4114992600846625
Energy: 1.2788296137751685
Energy: 1.4114992600846625
Energy: 1.1969628943982829
Energy: 1.4293087000064237
Energy: 1.2763542477793186
Energy: 1.4293087000064237
Energy: 1.2838104673500441
Energy: 1.2961925644474288
Energy: 1.2630160709255092
Energy: 1.2961925644465162
Energy: 1.2164941056885774
Energy: 1.3646406292879252
Energy: 1.2163584883710543
Energy: 1.364640629288838
Energy: 1.2364522418662607
Energy: 1.312959426509348
Energy: 1.287334032862515
Energy: 1.3129594265084357
Energy: 1.1631130806231753
Energy: 1.3660322344480853
Energy: 1.1916767363103478
Energy: 1.3660322344489981
Energy: 1.2837285876732594
Energy: 1.2644097732094133
Energy: 1.243464407212796
Energy: 1.2644097732094133
Energy: 1.2940336472064558
Energy: 1.4165614059833544
Energy: 1.2193840535758769
Energy: 1.4165614059833544
Energy: 1.217664058508541
Energy: 1.4153324370260805
Energy: 1.2499704889796002
Energy: 1.4153324370260805
Energy: 1.2176866513065399
Energy: 1.264673822475497
Energy: 1.2664978072703281
Energy: 1.264673822475497
Energy: 1.227154860980583
Energy: 1.3664646147961388
Energy: 1.2761938181363695
Energy: 1.3664646147961388
Energy: 1.2857829354412278
Energy: 1.3979028547413077
Energy: 1.2885298114901182
Energy: 1.3979028547403949
Energy: 1.3808690136371278
Energy: 1.3815435451679512
Energy: 1.3574652975557482
Energy: 1.3815435451670386
Energy: 1.2857048765184667
Energy: 1.3980470260404816
Energy: 1.2883313887743242
Energy: 1.3980470260404816
Energy: 1.2270415413659415
Energy: 1.3662298023445387
Energy: 1.2762378795936693
Energy: 1.3662298023454513
Energy: 1.217969456965629
Energy: 1.2650392302517932
Energy: 1.2362416259940066
Energy: 1.2650392302517932

minimum gb energy = 1.1631117453673634 eV
minimum distance =  2.23654459843447 Angstroms
sigma value = 25


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

Energy: 1.3274025821591877
Energy: 1.5063230043673583
Energy: 1.3173877444871875
Energy: 1.506323004368419
Energy: 1.2886921566998362
Energy: 1.410092591036872
Energy: 1.2893779297126087
Energy: 1.410092591036872
Energy: 1.2613191701650783
Energy: 1.5540365356538046
Energy: 1.2954667444716694
Energy: 1.5540365356538046
Energy: 1.280844468485354
Energy: 1.316238759051954
Energy: 1.275803222744893
Energy: 1.3162387590498321
Energy: 1.2734800181371524
Energy: 1.3851342691189796
Energy: 1.3371715896379497
Energy: 1.3851342691179187
Energy: 1.3782933762041254
Energy: 1.5561755126729102
Energy: 1.2777937578361565
Energy: 1.5561755126729102
Energy: 1.2897083914731637
Energy: 1.300634385551316
Energy: 1.3161531529262356
Energy: 1.300634385551316
Energy: 1.4345014771316034
Energy: 1.5064295071874232
Energy: 1.2298684098162451
Energy: 1.5064295071863623
Energy: 1.3159250998327143
Energy: 1.417045754245284
Energy: 1.2889450219831833
Energy: 1.417045754245284
Energy: 1.2903073019817903
Energy: 1.5560418221378554
Energy: 1.2547068107270756
Energy: 1.5560418221378554
Energy: 1.2978740304951248
Energy: 1.5081312645821146
Energy: 1.2904273791605751
Energy: 1.5081312645831757
Energy: 1.2761340320466419
Energy: 1.5060618834915658
Energy: 1.2897060203087638
Energy: 1.5060618834905046
Energy: 1.2950511916210412
Energy: 1.4407278659152705
Energy: 1.2563409634818308
Energy: 1.4407278659142095
Energy: 1.317130033988949
Energy: 1.3925925008333078
Energy: 1.2885228377839382
Energy: 1.3925925008333078
Energy: 1.2700857732683575
Energy: 1.5067917087113303
Energy: 1.2269157634757923
Energy: 1.5067917087123912
Energy: 1.2887566571345543
Energy: 1.2951051998937668
Energy: 1.2741011783780272
Energy: 1.295105199894828
Energy: 1.2063198499144523
Energy: 1.5530975858011387
Energy: 1.20600518538374
Energy: 1.5530975858000775
Energy: 1.2757557111696525
Energy: 1.295644704499699
Energy: 1.280285268153721
Energy: 1.2956447045156134
Energy: 1.2877904240540392
Energy: 1.3197766726366553
Energy: 1.2734813618970005
Energy: 1.319776672640899
Energy: 1.2759172944909858
Energy: 1.5534786643050271
Energy: 1.290046501122062
Energy: 1.5534786643050271
Energy: 1.3172758987223923
Energy: 1.4080217182887451
Energy: 1.2888242491099777
Energy: 1.4080217182898063
Energy: 1.328928468414056
Energy: 1.5057923750245632
Energy: 1.3694475210617747
Energy: 1.5057923750245632
Energy: 1.288618141166034
Energy: 1.2958211354219489
Energy: 1.2900638856597366
Energy: 1.295821135424071
Energy: 1.261017795742145
Energy: 1.554457916868322
Energy: 1.2904295675475461
Energy: 1.554457916867261
Energy: 1.2896710945919252
Energy: 1.3206077435525905
Energy: 1.274026273612635
Energy: 1.3206077435515293

minimum gb energy = 1.20600518538374 eV
minimum distance =  2.24503696586384 Angstroms
sigma value = 9


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

Energy: 1.3850973185823088
Energy: 1.384555286027501
Energy: 1.4271583002621526
Energy: 1.384555286027501
Energy: 1.3671421882193309
Energy: 1.4883760652306366
Energy: 1.3761811614811517
Energy: 1.4883760652306366
Energy: 1.2610964455408318
Energy: 1.3861316616418058
Energy: 1.318296099166225
Energy: 1.3861316616418058
Energy: 1.3865120382232006
Energy: 1.5166256002482859
Energy: 1.2932403007425333
Energy: 1.5166256002482859
Energy: 1.4715118545794599
Energy: 1.4877182967608973
Energy: 1.3132099398272836
Energy: 1.4877182967608973
Energy: 1.244721206184002
Energy: 1.3861803131957047
Energy: 1.2937002616502091
Energy: 1.3861803131957047
Energy: 1.386400998201647
Energy: 1.2936178025717613
Energy: 1.2942721946591809
Energy: 1.2936178025717613
Energy: 1.3790105011377565
Energy: 1.386165774932038
Energy: 1.2795947875284932
Energy: 1.386165774932038
Energy: 1.387318655459004
Energy: 1.4881395269954585
Energy: 1.4300528467073983
Energy: 1.4881395269954585
Energy: 1.3861907377295053
Energy: 1.3846882395885245
Energy: 1.2932861532386473
Energy: 1.3846882395885245
Energy: 1.3142080513390624
Energy: 1.480738058915722
Energy: 1.3551230043204976
Energy: 1.480738058915722
Energy: 1.3863903623199145
Energy: 1.4487116926670425
Energy: 1.2929489687422921
Energy: 1.4487116926670425
Energy: 1.244764747414862
Energy: 1.3845529085889658
Energy: 1.3199906141957272
Energy: 1.3845529085889658
Energy: 1.3766619830962952
Energy: 1.3876931318000636
Energy: 1.3768458572327222
Energy: 1.3876931318000636
Energy: 1.2447768463414375
Energy: 1.384533202216482
Energy: 1.378773050101628
Energy: 1.384533202216482
Energy: 1.3862883032976105
Energy: 1.4487003643511274
Energy: 1.2931989350032547
Energy: 1.4487003643511274
Energy: 1.3140569710820555
Energy: 1.4807554951245616
Energy: 1.3181446034193391
Energy: 1.4807554951245616
Energy: 1.3864169953252354
Energy: 1.3846619291620084
Energy: 1.2933605000530761
Energy: 1.3846619291620084
Energy: 1.3873678158249927
Energy: 1.4880343568127754
Energy: 1.3128953499212412
Energy: 1.4880343568127754
Energy: 1.3791234408109874
Energy: 1.3861266690446128
Energy: 1.2798369722058793
Energy: 1.3861266690446128
Energy: 1.3862498400388406
Energy: 1.2935968417621633
Energy: 1.2942634840068008
Energy: 1.2935968417621633

minimum gb energy = 1.244721206184002 eV
minimum distance =  2.32843104543532 Angstroms
sigma value = 25


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

Energy: 1.324508032072586
Energy: 1.4495255438938155
Energy: 1.5236161847599587
Energy: 1.4495255438922503
Energy: 1.2971057869303084
Energy: 1.499966091642531
Energy: 1.2786102025013273
Energy: 1.499966091642531
Energy: 1.279072540848701
Energy: 1.4309731219957467
Energy: 1.278612116131841
Energy: 1.4309731219957467
Energy: 1.3236102913716172
Energy: 1.3904505958595255
Energy: 1.4622182415290192
Energy: 1.3904505958595255
Energy: 1.4590000677765371
Energy: 1.2973558251793678
Energy: 1.3364598597423227
Energy: 1.2973558251793678
Energy: 1.2792812493361667
Energy: 1.5369516171073339
Energy: 1.2802508544451798
Energy: 1.536951617108899
Energy: 1.336683200931776
Energy: 1.39029865764685
Energy: 1.27882414789372
Energy: 1.39029865764685
Energy: 1.4413090071980148
Energy: 1.5032586857981591
Energy: 1.3231649094837445
Energy: 1.5032586858028552
Energy: 1.2785807311170905
Energy: 1.4972459747573026
Energy: 1.3004082160763049
Energy: 1.4972459747573026
Energy: 1.5122075890151312
Energy: 1.4325361664591154
Energy: 1.2794531987960944
Energy: 1.4325361664591154
Energy: 1.3256975350990474
Energy: 1.3903948272512285
Energy: 1.6170914692571414
Energy: 1.3903948272512285
Energy: 1.2794874354187784
Energy: 1.3427277299603273
Energy: 1.510547341954214
Energy: 1.3427277299603273
Energy: 1.445350517345173
Energy: 1.4320027032622644
Energy: 1.2784136312600105
Energy: 1.4320027032622644
Energy: 1.278645421050829
Energy: 1.3912139777454549
Energy: 1.323774312519191
Energy: 1.3912139777454549
Energy: 1.3378324411537597
Energy: 1.3908822056519812
Energy: 1.441813423332693
Energy: 1.3908822056504162
Energy: 1.2963769014486313
Energy: 1.4260332853934985
Energy: 1.2794543837024508
Energy: 1.426033285391933
Energy: 1.2793377192595348
Energy: 1.4164453740848746
Energy: 1.5089066216308296
Energy: 1.4164453740864398

minimum gb energy = 1.2784136312600105 eV
minimum distance =  2.31311035701783 Angstroms
sigma value = 17


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

Energy: 1.4481020177029722
Energy: 1.4470284104733895
Energy: 1.6681557439142132
Energy: 1.4470284104742759
Energy: 1.5113941958507924
Energy: 1.4183524867270738
Energy: 1.316073733321343
Energy: 1.4183524867270738
Energy: 1.483380204851353
Energy: 1.4390268557852328
Energy: 1.3160515290958195
Energy: 1.4390268557852328
Energy: 1.318858851492007
Energy: 1.6162112380839047
Energy: 1.4245562767531132
Energy: 1.6162112380839047
Energy: 1.5259574022069127
Energy: 1.4386684184709075
Energy: 1.353584408598785
Energy: 1.4386684184673615
Energy: 1.3355927124078586
Energy: 1.3759187961644594
Energy: 1.480173107109148
Energy: 1.3759187961644594
Energy: 1.3221006755691411
Energy: 1.477784544691553
Energy: 1.316669893937853
Energy: 1.477784544691553
Energy: 1.480715804782442
Energy: 1.4898815711157993
Energy: 1.3326915012550271
Energy: 1.4898815711157993
Energy: 1.3357202145157312
Energy: 1.5264083624552285
Energy: 1.522969905499109
Energy: 1.5264083624543423
Energy: 1.6222950457206669
Energy: 1.423732683308933
Energy: 1.3165104808282089
Energy: 1.4237326833098192
Energy: 1.3221956920762767
Energy: 1.4901985254718406
Energy: 1.4872676979675177
Energy: 1.4901985254709542
Energy: 1.333292026450148
Energy: 1.4727090818399315
Energy: 1.3331825488116051
Energy: 1.472709081839045
Energy: 1.5077320126278009
Energy: 1.445365187564096
Energy: 1.4446655622308042
Energy: 1.4453651875649824
Energy: 1.3160247545311476
Energy: 1.5096993843428743
Energy: 1.4986048862101014
Energy: 1.509699384341988
Energy: 1.44271513892086
Energy: 1.4747785283366408
Energy: 1.3364486823534298
Energy: 1.4747785283366408
Energy: 1.482761648239106
Energy: 1.4467600261520557
Energy: 1.4809469903291281
Energy: 1.4467600261538287
Energy: 1.3167133270694193
Energy: 1.4763293235553547
Energy: 1.5197395967335998
Energy: 1.4763293235553547
Energy: 1.4792740455654012
Energy: 1.4382879686251968
Energy: 1.335543476912206
Energy: 1.4382879686251968
Energy: 1.3175089299236613
Energy: 1.517443734528545
Energy: 1.4174645221960809
Energy: 1.5174437345276586
Energy: 1.3167079575169012
Energy: 1.4916217801669407
Energy: 1.3189849345266766
Energy: 1.491621780167827
Energy: 1.3988058832905192
Energy: 1.4389472353602273
Energy: 1.4828756302421264
Energy: 1.438947235359341
Energy: 1.31673188075818
Energy: 1.57470650404413
Energy: 1.6215063053636207
Energy: 1.57470650404413
Energy: 1.5074590823013887
Energy: 1.4911282133834742
Energy: 1.3160913085246322
Energy: 1.4911282133825878
Energy: 1.3328192981094433
Energy: 1.4770463994821694
Energy: 1.5002356970230535
Energy: 1.4770463994821694
Energy: 1.333249401013544
Energy: 1.477079798206741
Energy: 1.4997597054118503
Energy: 1.477079798206741
Energy: 1.5137279748937778
Energy: 1.4915234395007617
Energy: 1.31803873197456
Energy: 1.4915234395007617
Energy: 1.3530816146949052
Energy: 1.5264147960042578
Energy: 1.6627564096619782
Energy: 1.5264147960033714
Energy: 1.4790687403645921
Energy: 1.3758428438249963
Energy: 1.4844035915055966
Energy: 1.3758428438249963
Energy: 1.6147671589283892
Energy: 1.5282653272391378
Energy: 1.3193001403623899
Energy: 1.5282653272382511
Energy: 1.332820044187464
Energy: 1.5216063950405225
Energy: 1.4806255355376503
Energy: 1.5216063950405225

minimum gb energy = 1.3160247545311476 eV
minimum distance =  2.21682366723728 Angstroms
sigma value = 53


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

Energy: 1.2517461467489863
Energy: 1.251342625277507
Energy: 1.4865888047570228
Energy: 1.2513426252754665
Energy: 1.5151703796001341
Energy: 1.3746503467062887
Energy: 1.3848349027190192
Energy: 1.3746503467042477
Energy: 1.2526217043811951
Energy: 1.2508764293883108
Energy: 1.4848170027338314
Energy: 1.2508764293862698
Energy: 1.252540478644814
Energy: 1.2508637598022152
Energy: 1.2790122751190556
Energy: 1.2508637598022152
Energy: 1.5154247235470621
Energy: 1.3745348411363287
Energy: 1.4097798787117901
Energy: 1.3745348411363287
Energy: 1.2517461467489863
Energy: 1.251342625277507
Energy: 1.6122177833511004
Energy: 1.2513426252754665
Energy: 1.5151703796001341
Energy: 1.3746503467062887
Energy: 1.4729562260842575
Energy: 1.3746503467042477
Energy: 1.2526217043811951
Energy: 1.2508764293883108
Energy: 1.4848170027338314
Energy: 1.2508764293862698
Energy: 1.252540478644814
Energy: 1.2508637598022152
Energy: 1.3845770549384007
Energy: 1.2508637598022152
Energy: 1.5154247235470621
Energy: 1.3745348411363287
Energy: 1.5049296078699377
Energy: 1.3745348411363287
Energy: 1.2517461467489863
Energy: 1.251342625277507
Energy: 1.7121031062088137
Energy: 1.2513426252754665
Energy: 1.5151703796001341
Energy: 1.3746503467062887
Energy: 1.472956226080176
Energy: 1.3746503467042477
Energy: 1.2526217043811951
Energy: 1.2508764293883108
Energy: 1.4848170027338314
Energy: 1.2508764293862698

minimum gb energy = 1.2508637598022152 eV
minimum distance =  2.29236425687646 Angstroms
sigma value = 9


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

Energy: 1.391296344747202
Energy: 1.5754592386409518
Energy: 1.789419413788632
Energy: 1.5754592386409518
Energy: 1.5695260807882654
Energy: 1.461595327324503
Energy: 1.3887251979278117
Energy: 1.4615953273229922
Energy: 1.3713113334531966
Energy: 1.3737481149992312
Energy: 1.38752120990791
Energy: 1.3737481150007422
Energy: 1.5253862372496512
Energy: 1.6341334111131731
Energy: 1.3894137385709835
Energy: 1.6341334111124177
Energy: 1.5552202144470304
Energy: 1.4613566495347923
Energy: 1.3862112999887124
Energy: 1.461356649534037
Energy: 1.3735500085996537
Energy: 1.372473628447281
Energy: 1.534812430594727
Energy: 1.3724736284457704
Energy: 1.7745519609870313
Energy: 1.4545875079478647
Energy: 1.3877911284142168
Energy: 1.4545875079486201
Energy: 1.3789543415695364
Energy: 1.475504872617804
Energy: 1.5383164028240914
Energy: 1.4755048726170488
Energy: 1.372965615498013
Energy: 1.6562604959721317
Energy: 1.3843787304332058
Energy: 1.6562604959706213
Energy: 1.3726298231591691
Energy: 1.4549116255591927
Energy: 1.386835653413616
Energy: 1.4549116255599481
Energy: 1.3800468725818267
Energy: 1.4787218148620465
Energy: 1.7607271861997402
Energy: 1.4787218148628016
Energy: 1.5573741067507574
Energy: 1.5828298663502227
Energy: 1.3780712513729734
Energy: 1.5828298663494675
Energy: 1.3729494997811982
Energy: 1.4777133912837095
Energy: 1.6536231600319995
Energy: 1.4777133912837095
Energy: 1.5313281586372305
Energy: 1.5415100933650188
Energy: 1.3975255141738667
Energy: 1.5415100933680401
Energy: 1.3833076118645795
Energy: 1.5569027019801474
Energy: 1.536266699254908
Energy: 1.5569027019816581
Energy: 1.3760725872160153
Energy: 1.653047446717079
Energy: 1.5329083245859452
Energy: 1.6530474467178342
Energy: 1.4585391851132739
Energy: 1.5564829042574175
Energy: 1.3828889348963298
Energy: 1.556482904258173
Energy: 1.3827703138138976
Energy: 1.4550183710306814
Energy: 1.5553688701880284
Energy: 1.4550183710314366
Energy: 1.5415514967838964
Energy: 1.4786057976513305
Energy: 1.3761285712173366
Energy: 1.478605797652841
Energy: 1.3793349116309137
Energy: 1.4742840348669857
Energy: 1.4769586343775698
Energy: 1.4742840348669857
Energy: 1.535556627040513
Energy: 1.6365696463288064
Energy: 1.5282845227573503
Energy: 1.6365696463288064
Energy: 1.4857282655440798
Energy: 1.545646415376302
Energy: 1.372513129882396
Energy: 1.5456464153755467
Energy: 1.3845433210167541
Energy: 1.5614729229162205
Energy: 1.372811959596578
Energy: 1.5614729229177313
Energy: 1.7791435767096575
Energy: 1.47414163184591
Energy: 1.3782009959373325
Energy: 1.47414163184591
Energy: 1.3881263654920986
Energy: 1.602131287487621
Energy: 1.6846137710178837
Energy: 1.6021312874868656
Energy: 1.4604006046911662
Energy: 1.3735671096281694
Energy: 1.3713705918897956
Energy: 1.3735671096281694
Energy: 1.5428157013572046
Energy: 1.5608647968369076
Energy: 1.524761481482806
Energy: 1.560864796835397
Energy: 1.4061319924272664
Energy: 1.634918573512362
Energy: 1.524979436694101
Energy: 1.6349185735138727
Energy: 1.459509172618375
Energy: 1.3732876030449912
Energy: 1.3704178976191148
Energy: 1.3732876030442358
Energy: 1.388559837039838
Energy: 1.6025556675081045
Energy: 1.6866423629364087
Energy: 1.6025556675081045
Energy: 1.6834377058553645
Energy: 1.474442240752565
Energy: 1.3774595558020266
Energy: 1.4744422407510542
Energy: 1.3882579914843305
Energy: 1.4573278078068046
Energy: 1.3717077129243507
Energy: 1.4573278078060494
Energy: 1.3894764968838864
Energy: 1.5467949336934848
Energy: 1.3711823864559303
Energy: 1.5467949336942404
Energy: 1.5312614604766828
Energy: 1.6376752851531222
Energy: 1.5256016451896834
Energy: 1.6376752851538776
Energy: 1.3854987333301174
Energy: 1.6140946934663372
Energy: 1.7740960099187202
Energy: 1.6140946934686033

minimum gb energy = 1.3704178976191148 eV
minimum distance =  2.22431738254193 Angstroms
sigma value = 73


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

Energy: 1.3802437705412973
Energy: 1.3787055581672616
Energy: 1.7813581219751846
Energy: 1.3787055581672616
Energy: 1.4124117415272923
Energy: 1.518968543942178
Energy: 1.3918005804128577
Energy: 1.51896854394098
Energy: 1.3943262223761228
Energy: 1.3914660904597496
Energy: 1.3795924582937278
Energy: 1.3914660904597496
Energy: 1.3764220146093862
Energy: 1.5216259221919899
Energy: 1.391353579867616
Energy: 1.5216259221919899
Energy: 1.375940416150684
Energy: 1.4956421140805605
Energy: 1.3805253326325813
Energy: 1.4956421140805605
Energy: 1.392834949598773
Energy: 1.392322622784619
Energy: 1.7247633682578096
Energy: 1.392322622784619
Energy: 1.7543037209448122
Energy: 1.6931524588882474
Energy: 1.393195295913409
Energy: 1.6931524588882474
Energy: 1.3761317076466715
Energy: 1.3790169049291268
Energy: 1.7155282596603614
Energy: 1.3790169049291268
Energy: 1.7040280597782802
Energy: 1.3812596413150713
Energy: 1.3853237676616483
Energy: 1.3812596413150713
Energy: 1.3938716029896536
Energy: 1.4916006681461333
Energy: 1.3928301723278027
Energy: 1.4916006681461333
Energy: 1.3785813448664965
Energy: 1.3810988632678718
Energy: 1.705618346784977
Energy: 1.3810988632678718
Energy: 1.5502309042432627
Energy: 1.525278501386525
Energy: 1.3773158381177044
Energy: 1.525278501386525
Energy: 1.3924424132152786
Energy: 1.4898413606218757
Energy: 1.5462547112439997
Energy: 1.4898413606230738
Energy: 1.7778416651178215
Energy: 1.4916390376016784
Energy: 1.3930432270084907
Energy: 1.4916390376016784
Energy: 1.3774184981211604
Energy: 1.4493332964588057
Energy: 1.5489192390255948
Energy: 1.4493332964588057
Energy: 1.7043944141622331
Energy: 1.3799432791677424
Energy: 1.376205408102774
Energy: 1.379943279168941
Energy: 1.3929546770992245
Energy: 1.3881110237696253
Energy: 1.394328855212289
Energy: 1.3881110237696253
Energy: 1.3900492689122796
Energy: 1.3832088067815016
Energy: 1.394762267257975
Energy: 1.3832088067815016
Energy: 1.379524127025251
Energy: 1.3790796790589448
Energy: 1.3753453916605543
Energy: 1.3790796790589448
Energy: 1.391459589328176
Energy: 1.4468495941056256
Energy: 1.7535994244771513
Energy: 1.4468495941044275
Energy: 1.7823633146337885
Energy: 1.3905882841026147
Energy: 1.3942403196606983
Energy: 1.3905882841026147
Energy: 1.391198154221064
Energy: 1.4994196127595396
Energy: 1.5502103756551155
Energy: 1.4994196127595396

minimum gb energy = 1.3753453916605543 eV
minimum distance =  2.24312574890456 Angstroms
sigma value = 7


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

Energy: 1.4210596032978309
Energy: 1.4202371983756115
Energy: 1.8105249134337191
Energy: 1.4202371983764588
Energy: 1.551903820832683
Energy: 1.4900470319233976
Energy: 1.39279338367656
Energy: 1.4900470319233976
Energy: 1.3842322110179721
Energy: 1.420794945169294
Energy: 1.4196144306248772
Energy: 1.420794945169294
Energy: 1.431650663007824
Energy: 1.5218397603729712
Energy: 1.391989031358176
Energy: 1.5218397603729712
Energy: 1.3842399227902846
Energy: 1.49128386473476
Energy: 1.4184423477504946
Energy: 1.49128386473476
Energy: 1.3798392697393935
Energy: 1.4218172161790807
Energy: 1.6781934573517672
Energy: 1.4218172161790807
Energy: 1.5615371311735062
Energy: 1.5636708457723494
Energy: 1.408816140090241
Energy: 1.5636708457723494
Energy: 1.3799507860430305
Energy: 1.422471074326464
Energy: 1.7322637396444505
Energy: 1.4224710743273115
Energy: 1.5756715175930616
Energy: 1.5020379155169965
Energy: 1.3940650248507442
Energy: 1.5020379155169965
Energy: 1.380160954568201
Energy: 1.53184415235366
Energy: 1.5360968062959106
Energy: 1.53184415235366
Energy: 1.4260787852707812
Energy: 1.62591682235629
Energy: 1.4277164765935488
Energy: 1.62591682235629
Energy: 1.4390667488942712
Energy: 1.4918206132878324
Energy: 1.4349510793077167
Energy: 1.4918206132878324
Energy: 1.4300652623565593
Energy: 1.4253831228495104
Energy: 1.434385430104621
Energy: 1.4253831228495104
Energy: 1.4195292558331025
Energy: 1.4104218013409948
Energy: 1.4348610853999189
Energy: 1.4104218013409948
Energy: 1.3780626447813704
Energy: 1.6427233575271185
Energy: 1.5742256563585815
Energy: 1.6427233575271185
Energy: 1.8101588405022484
Energy: 1.4101866591151295
Energy: 1.3990349576830923
Energy: 1.4101866591142822
Energy: 1.3778225487296607
Energy: 1.4917507362500937
Energy: 1.4792288865144656
Energy: 1.4917507362509412
Energy: 1.4062199217527798
Energy: 1.6237927172843982
Energy: 1.4342801273975456
Energy: 1.6237927172835505
Energy: 1.3779173678825716
Energy: 1.4230917513055372
Energy: 1.4288323955553863
Energy: 1.4230917513055372
Energy: 1.3798093899680397
Energy: 1.4946037736394635
Energy: 1.4339227738502294
Energy: 1.4946037736394635
Energy: 1.426694390282014
Energy: 1.6298553125145059
Energy: 1.3942519540452167
Energy: 1.6298553125145059
Energy: 1.3800069569876083
Energy: 1.4208260516876499
Energy: 1.5421762155529564
Energy: 1.4208260516876499
Energy: 1.6950346130277505
Energy: 1.502701238327694
Energy: 1.4092473507770913
Energy: 1.5027012383268852
Energy: 1.4236735868066523
Energy: 1.4215631422234756
Energy: 1.6759971237003604
Energy: 1.4215631422234756
Energy: 1.4333461888167067
Energy: 1.4953598064021956
Energy: 1.4083230492724454
Energy: 1.4953598064021956
Energy: 1.4307333825268258
Energy: 1.4221358139181464
Energy: 1.4204672273815524
Energy: 1.4221358139181464
Energy: 1.3846464067279267
Energy: 1.5249607171989608
Energy: 1.4080271218632112
Energy: 1.5249607171981132
Energy: 1.4322829786662448
Energy: 1.4916759289905281
Energy: 1.3919271924950691
Energy: 1.4916759289905281
Energy: 1.3836286093009815
Energy: 1.420949789646551
Energy: 1.5425608477045085
Energy: 1.420949789646551
Energy: 1.4231226254217624
Energy: 1.4254586196883678
Energy: 1.3929244365610978
Energy: 1.4254586196883678
Energy: 1.3838953372234475
Energy: 1.4213326729503932
Energy: 1.6470569486727926
Energy: 1.4213326729503932

minimum gb energy = 1.3778225487296607 eV
minimum distance =  2.22214370976899 Angstroms
sigma value = 29


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

Energy: 1.3763802604186055
Energy: 1.3484429319284275
Energy: 1.4798293945471437
Energy: 1.3484429319287228
Energy: 1.315544257551966
Energy: 1.3809711607190125
Energy: 1.376176969134428
Energy: 1.3809711607193074
Energy: 1.3198671961513908
Energy: 1.4543799953091225
Energy: 1.4799997304776935
Energy: 1.4543799953094179
Energy: 1.376820405198401
Energy: 1.3168219268590902
Energy: 1.3772049107199074
Energy: 1.3168219268593853
Energy: 1.3769128222982714
Energy: 1.4125587476496502
Energy: 1.316733184403887
Energy: 1.4125587476493549
Energy: 1.3549679637749756
Energy: 1.4533400679487503
Energy: 1.3549515120885596
Energy: 1.4533400679487503
Energy: 1.3191442344442903
Energy: 1.4127018150694006
Energy: 1.3770195727932606
Energy: 1.4127018150694006
Energy: 1.3771055721175853
Energy: 1.3169537669194766
Energy: 1.3768266644146185
Energy: 1.3169537669191813
Energy: 1.4800290711623854
Energy: 1.4542433634174683
Energy: 1.399559934008891
Energy: 1.4542433634180587

minimum gb energy = 1.315544257551966 eV
minimum distance =  2.28219390450386 Angstroms
sigma value = 5


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

Energy: 1.339793503089982
Energy: 1.3601202403766506
Energy: 1.5229496417809871
Energy: 1.3601202403782515
Energy: 1.5104538645104688
Energy: 1.3903706533230151
Energy: 1.2868956262826274
Energy: 1.3903706533222144
Energy: 1.299433594840504
Energy: 1.3477486254850533
Energy: 1.5387309406457592
Energy: 1.3477486254858537
Energy: 1.2873933386708296
Energy: 1.4225816961344868
Energy: 1.3032411568240967
Energy: 1.422581696135287
Energy: 1.3142248880144352
Energy: 1.4333899785995516
Energy: 1.5197311510770097
Energy: 1.4333899785979507
Energy: 1.353721446603524
Energy: 1.3630248681558452
Energy: 1.2860010449210508
Energy: 1.363024868155045
Energy: 1.2967804609068119
Energy: 1.4307904974963663
Energy: 1.3140749869583292
Energy: 1.4307904974955663
Energy: 1.2931174738703197
Energy: 1.3650145193212966
Energy: 1.3037686125568668
Energy: 1.365014519323698
Energy: 1.3137601187050143
Energy: 1.4308726953179225
Energy: 1.3177096485579056
Energy: 1.430872695317122
Energy: 1.309325474511739
Energy: 1.4313652742101548
Energy: 1.287982876096011
Energy: 1.4313652742117555
Energy: 1.326073914592218
Energy: 1.3649321996196937
Energy: 1.3033017664906663
Energy: 1.3649321996196937
Energy: 1.3040106697948015
Energy: 1.4470318898045968
Energy: 1.365085610852638
Energy: 1.447031889805397
Energy: 1.3519393318132655
Energy: 1.361590881073765
Energy: 1.3615286022691604
Energy: 1.3615908810745656
Energy: 1.3151119344590276
Energy: 1.3607191383151458
Energy: 1.341434101384902
Energy: 1.3607191383151458
Energy: 1.5391072637914078
Energy: 1.4248978833769739
Energy: 1.30346485908422
Energy: 1.4248978833777746
Energy: 1.3066609738470094
Energy: 1.347128224498696
Energy: 1.3271557939670793
Energy: 1.3471282244994964
Energy: 1.5097836086620593
Energy: 1.4508649990927058
Energy: 1.3004934914943365
Energy: 1.450864999095107
Energy: 1.3178111259176715
Energy: 1.3618031082105995
Energy: 1.4468340861578561
Energy: 1.3618031082105995
Energy: 1.2938923941350633
Energy: 1.4334846253400366
Energy: 1.2883137328591372
Energy: 1.4334846253376352
Energy: 1.2997639231939888
Energy: 1.420849573895999
Energy: 1.323806546316528
Energy: 1.4208495738951987
Energy: 1.2870929416466963
Energy: 1.419162646858778
Energy: 1.305359115877971
Energy: 1.4191626468579774
Energy: 1.3152238319139626
Energy: 1.4312716773576724
Energy: 1.3016594328051787
Energy: 1.4312716773560714
Energy: 1.2864017809909236
Energy: 1.3636490926527494
Energy: 1.2863372399279633
Energy: 1.3636490926543503
Energy: 1.359955924778046
Energy: 1.367982455076902
Energy: 1.299092438460412
Energy: 1.367982455076902
Energy: 1.3763293551583005
Energy: 1.3482570316101103
Energy: 1.2869936641206072
Energy: 1.3482570316109108
Energy: 1.34315225405552
Energy: 1.3614068383796372
Energy: 1.3143725149976655
Energy: 1.3614068383788367
Energy: 1.2940662908237532
Energy: 1.4105152751738474
Energy: 1.3287477976617683
Energy: 1.410515275173047
Energy: 1.3722133464401107
Energy: 1.4012856223207337
Energy: 1.3067839749836414
Energy: 1.4012856223199333
Energy: 1.3032066956639956
Energy: 1.3913358949439167
Energy: 1.5243112944495183
Energy: 1.3913358949439167
Energy: 1.4412547640167066
Energy: 1.3614263614311042
Energy: 1.3171580205987652
Energy: 1.3614263614311042
Energy: 1.2946006045532317
Energy: 1.3236373966241872
Energy: 1.4417949822517888
Energy: 1.3236373966241872
Energy: 1.5274067550452612
Energy: 1.3933383690812446
Energy: 1.3005729562671995
Energy: 1.393338369080444
Energy: 1.3031403515924764
Energy: 1.3999179395070296
Energy: 1.2893504210833349
Energy: 1.3999179395054289

minimum gb energy = 1.2860010449210508 eV
minimum distance =  2.23001964246046 Angstroms
sigma value = 1


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

Energy: 1.3037732024514106
Energy: 1.30308640445226
Energy: 1.4764538418061355
Energy: 1.3030864044511534
Energy: 1.2995594180250973
Energy: 1.3278665156481302
Energy: 1.241905576693415
Energy: 1.3278665156514506
Energy: 1.2296149046852785
Energy: 1.3028861703384587
Energy: 1.6818857123406286
Energy: 1.3028861703373518
Energy: 1.2625511526842224
Energy: 1.3922182629871631
Energy: 1.24370471295829
Energy: 1.3922182629871631
Energy: 1.2275473470975269
Energy: 1.4406206988557184
Energy: 1.25016174679236
Energy: 1.4406206988557184
Energy: 1.2253495138319235
Energy: 1.308597231089251
Energy: 1.2437517027409746
Energy: 1.308597231089251
Energy: 1.2279713632211247
Energy: 1.4406611306460815
Energy: 1.271201784856093
Energy: 1.4406611306460815
Energy: 1.227519981052908
Energy: 1.3080223442599792
Energy: 1.296321833411351
Energy: 1.308022344258872
Energy: 1.3025739622251022
Energy: 1.3023956040627405
Energy: 1.2715957809772787
Energy: 1.3023956040627405
Energy: 1.3026880828775778
Energy: 1.3024096889774766
Energy: 1.295940663508028
Energy: 1.3024096889774766
Energy: 1.2274691980177048
Energy: 1.308235905685846
Energy: 1.2716110086980135
Energy: 1.3082359056847392
Energy: 1.2278626393341079
Energy: 1.4406411918136344
Energy: 1.2743506196380248
Energy: 1.4406411918125273
Energy: 1.2253612917509369
Energy: 1.3087407916440037
Energy: 1.2437064447126607
Energy: 1.3087407916440037
Energy: 1.2278130303200925
Energy: 1.440319011917171
Energy: 1.3031198051219708
Energy: 1.440319011917171
Energy: 1.2622038397875137
Energy: 1.3922135368122674
Energy: 1.24351260960917
Energy: 1.3922135368111608
Energy: 1.2296186535268216
Energy: 1.30283167462312
Energy: 1.3657201834920798
Energy: 1.3028316746242268
Energy: 1.2994975521192123
Energy: 1.3278194131286538
Energy: 1.2419560574927058
Energy: 1.3278194131297605
Energy: 1.3037732024514106
Energy: 1.30308640445226
Energy: 1.476455613611607
Energy: 1.3030864044511534
Energy: 1.2995594180250973
Energy: 1.327866515649237
Energy: 1.241905576693415
Energy: 1.327866515650344
Energy: 1.2296149046852785
Energy: 1.3028861703384587
Energy: 1.6818857123406286
Energy: 1.3028861703373518
Energy: 1.2625511526842224
Energy: 1.3922182629871631
Energy: 1.24370471295829
Energy: 1.3922182629871631
Energy: 1.2275473470975269
Energy: 1.4406206988557184
Energy: 1.2501617430885068
Energy: 1.4406206988557184
Energy: 1.2253495138319235
Energy: 1.308597231089251
Energy: 1.2437517027409746
Energy: 1.308597231089251
Energy: 1.2279713632211247
Energy: 1.4406611306460815
Energy: 1.271201784856093
Energy: 1.4406611306460815

minimum gb energy = 1.2253495138319235 eV
minimum distance =  2.24476666255726 Angstroms
sigma value = 17


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

Energy: 1.2956215862222986
Energy: 1.2948519164823942
Energy: 1.53403438239825
Energy: 1.2948519164823942
Energy: 1.4522702809680248
Energy: 1.277466965104085
Energy: 1.250304131371046
Energy: 1.2774669651020327
Energy: 1.2450839773144124
Energy: 1.2764045824477301
Energy: 1.523888920929598
Energy: 1.2764045824477301
Energy: 1.296212712120767
Energy: 1.2352454755321238
Energy: 1.236967272419507
Energy: 1.2352454755321238
Energy: 1.2351760423502356
Energy: 1.386942691028514
Energy: 1.2659586118382422
Energy: 1.386942691028514
Energy: 1.2303921483670979
Energy: 1.25991228644365
Energy: 1.2612015579973581
Energy: 1.25991228644365
Energy: 1.2518865111674775
Energy: 1.3611201526446959
Energy: 1.2806276884998677
Energy: 1.3611201526446959
Energy: 1.22920650369582
Energy: 1.3466598106014107
Energy: 1.2376064474234834
Energy: 1.3466598106027787
Energy: 1.2898579910440622
Energy: 1.3463960510856896
Energy: 1.2887174308981937
Energy: 1.3463960510836375
Energy: 1.2759296145163586
Energy: 1.3481216924914499
Energy: 1.249644139988106
Energy: 1.348121692490766
Energy: 1.244973925656215
Energy: 1.3158506805969654
Energy: 1.2402742453405795
Energy: 1.3158506805949133
Energy: 1.248217690756503
Energy: 1.3531490097625842
Energy: 1.236573997250345
Energy: 1.3531490097625842
Energy: 1.2277727101150868
Energy: 1.332534779550849
Energy: 1.2489396051172998
Energy: 1.332534779550849
Energy: 1.243092546775091
Energy: 1.3848836825503277
Energy: 1.2946551519158056
Energy: 1.3848836825503277
Energy: 1.2271565181388207
Energy: 1.2503738666927204
Energy: 1.306671265220176
Energy: 1.250373866689984
Energy: 1.2454443659348302
Energy: 1.2777739553889491
Energy: 1.2642668075282764
Energy: 1.2777739553889491
Energy: 1.2516235091929862
Energy: 1.2437041101731086
Energy: 1.2362414104021493
Energy: 1.2437041101731086
Energy: 1.237150570508573
Energy: 1.4092632467149018
Energy: 1.2498977358111791
Energy: 1.4092632467149018
Energy: 1.4686567067474439
Energy: 1.3585994694259673
Energy: 1.2467560869793408
Energy: 1.3585994694259673
Energy: 1.2585821617908832
Energy: 1.2765258752117128
Energy: 1.306030431812027
Energy: 1.2765258752117128
Energy: 1.2443474125249518
Energy: 1.2655301263876622
Energy: 1.2361329565122565
Energy: 1.2655301263897145
Energy: 1.238545658240949
Energy: 1.2966341471507947
Energy: 1.3980775314756408
Energy: 1.2966341471501106
Energy: 1.279885930506824
Energy: 1.2553995790461592
Energy: 1.2602295407867656
Energy: 1.2553995790502637
Energy: 1.2457376638681945
Energy: 1.3636661166128154
Energy: 1.464390841053319
Energy: 1.3636661166128154
Energy: 1.2726173440285795
Energy: 1.2966486062983913
Energy: 1.2384906389675834
Energy: 1.2966486062977074
Energy: 1.2361651648181726
Energy: 1.388624263587563
Energy: 1.264484509661796
Energy: 1.388624263587563
Energy: 1.4371822538574077
Energy: 1.3365795884306522
Energy: 1.2466143885391874
Energy: 1.3365795884306522
Energy: 1.3124764179516641
Energy: 1.4887232173711527
Energy: 1.2268124170429913
Energy: 1.4887232173711527
Energy: 1.2947528370011385
Energy: 1.384562304059537
Energy: 1.2364764551298224
Energy: 1.384562304059537
Energy: 1.236706801907728
Energy: 1.3327398046750607
Energy: 1.298165971647273
Energy: 1.3327398046750607
Energy: 1.24751062195992
Energy: 1.3844774748982627
Energy: 1.234783417511102
Energy: 1.3844774748975786
Energy: 1.2262872469099402
Energy: 1.3198520250404753
Energy: 1.2404691189730983
Energy: 1.3198520250425276
Energy: 1.2467230902476862
Energy: 1.3483773873458589
Energy: 1.4684713297973524
Energy: 1.348377387346543
Energy: 1.2990903710349146
Energy: 1.511364556507394
Energy: 1.2615457680496653
Energy: 1.51136455650671
Energy: 1.239725787468199
Energy: 1.2975442279057072
Energy: 1.2866774440397637
Energy: 1.2975442279057072
Energy: 1.3122998994720902
Energy: 1.3634552175785069
Energy: 1.249470846638665
Energy: 1.3634552175785069
Energy: 1.2602909657115482
Energy: 1.25754526633821
Energy: 1.232844464003248
Energy: 1.2575452662459212
Energy: 1.2665002213572254
Energy: 1.3880526115952387
Energy: 1.2384856267875852
Energy: 1.3880526115959229

minimum gb energy = 1.2262872469099402 eV
minimum distance =  2.22918945636287 Angstroms
sigma value = 89


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

Energy: 1.3886977268168537
Energy: 1.3888042370946228
Energy: 1.1750760801488815
Energy: 1.3888042370946228
Energy: 1.3675486224295024
Energy: 1.1864540054403194
Energy: 1.1761562698894743
Energy: 1.1864540054403194
Energy: 1.1958541622192043
Energy: 1.3866734414636728
Energy: 1.6257171958287353
Energy: 1.3866734414636728
Energy: 1.2144355645039502
Energy: 1.2432297115433784
Energy: 1.1955708503821236
Energy: 1.2432297115433784
Energy: 1.1609727535530796
Energy: 1.2731116847929194
Energy: 1.213632223575638
Energy: 1.2731116847929194
Energy: 1.146300978096992
Energy: 1.147069619682962
Energy: 1.1489726434143595
Energy: 1.147069619682962
Energy: 1.1769669213149658
Energy: 1.3862292296543706
Energy: 1.146003964377094
Energy: 1.3862292296525807
Energy: 1.1647421397753608
Energy: 1.5425372111147913
Energy: 1.1970201398997418
Energy: 1.5425372111147913
Energy: 1.194169314005286
Energy: 1.2764348122405504
Energy: 1.1735181117550997
Energy: 1.2764348122405504
Energy: 1.243258409865021
Energy: 1.1457235535016708
Energy: 1.1470480812808463
Energy: 1.1457235534998806
Energy: 1.392102033319715
Energy: 1.1913371727733375
Energy: 1.1610154559977721
Energy: 1.1913371727733375
Energy: 1.3888635664223372
Energy: 1.3868456825315294
Energy: 1.1644670959260903
Energy: 1.3868456825297395
Energy: 1.1943000894730194
Energy: 1.149570387347361
Energy: 1.141110226521239
Energy: 1.149570387347361
Energy: 1.185984544573562
Energy: 1.273040266972787
Energy: 1.18881387431042
Energy: 1.2730402669709973
Energy: 1.1412545268157406
Energy: 1.1493997427877742
Energy: 1.1877881071164982
Energy: 1.1493997427877742

minimum gb energy = 1.141110226521239 eV
minimum distance =  2.25883504835141 Angstroms
sigma value = 13


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

Energy: 1.2507302862169054
Energy: 1.1260315793429574
Energy: 1.5624535952647798
Energy: 1.126031579340707
Energy: 1.4099782929898224
Energy: 1.3218287339207906
Energy: 1.0947576506001693
Energy: 1.3218287339200407
Energy: 1.119135046093792
Energy: 1.1052902835537075
Energy: 1.3061803226161874
Energy: 1.1052902835544576
Energy: 1.1336369861742792
Energy: 1.2298996179648711
Energy: 1.1008611927822225
Energy: 1.2298996179656214
Energy: 1.1194665030688502
Energy: 1.2052680604135497
Energy: 1.1380113527933189
Energy: 1.2052680604120491
Energy: 1.0912589808606366
Energy: 1.2299487905050046
Energy: 1.2190016050166235
Energy: 1.2299487905050046
Energy: 1.119315957518493
Energy: 1.2060667012341035
Energy: 1.2489975511621112
Energy: 1.2060667012348534
Energy: 1.0839768433916679
Energy: 1.320828989060607
Energy: 1.2191200474767547
Energy: 1.320828989060607
Energy: 1.1215869140457098
Energy: 1.2200821530508712
Energy: 1.389281217865521
Energy: 1.2200821530493708
Energy: 1.3116437763500488
Energy: 1.321150816991429
Energy: 1.100749773068162
Energy: 1.321150816991429
Energy: 1.1278648498922088
Energy: 1.2311761598229538
Energy: 1.1135743835821483
Energy: 1.2311761598229538
Energy: 1.5493505086583244
Energy: 1.3209404017670323
Energy: 1.088471975031492
Energy: 1.3209404017805362
Energy: 1.1664241887873932
Energy: 1.1173111679624006
Energy: 1.0977352400054128
Energy: 1.1173111679624006
Energy: 1.502217037184584
Energy: 1.2314682092764544
Energy: 1.093656668653632
Energy: 1.2314682092757039
Energy: 1.127396018352383
Energy: 1.1044991843267207
Energy: 1.0986387158914306
Energy: 1.1044991843259706
Energy: 1.220966079359055
Energy: 1.231470532740504
Energy: 1.1059944872191554
Energy: 1.231470532739754
Energy: 1.1260102153671119
Energy: 1.1944558110322354
Energy: 1.104929652620948
Energy: 1.1944558110314851
Energy: 1.1133769836054368
Energy: 1.201157623930508
Energy: 1.2162612263661854
Energy: 1.2011576239297577
Energy: 1.113453043642624
Energy: 1.1285285176314155
Energy: 1.2160557203175877
Energy: 1.1285285176306652
Energy: 1.1240134944867315
Energy: 1.2025290499171175
Energy: 1.2162051165727352
Energy: 1.2025290499178676
Energy: 1.110467545704162
Energy: 1.2177827430669177
Energy: 1.2161850728162942
Energy: 1.2177827430669177
Energy: 1.1201340136853617
Energy: 1.2011221027683212
Energy: 1.1065676199722108
Energy: 1.2011221027690717
Energy: 1.2112137838671797
Energy: 1.2315784454331256
Energy: 1.1048632273481924
Energy: 1.2315784454331256
Energy: 1.129593779782191
Energy: 1.1038715221938402
Energy: 1.0958183048325987
Energy: 1.1038715221930897
Energy: 1.5803191710051283
Energy: 1.230623714221765
Energy: 1.0884197662451842
Energy: 1.2306237142202647
Energy: 1.2633486796558124
Energy: 1.1424011264671043
Energy: 1.0945710032290479
Energy: 1.142401126466354
Energy: 1.4546577520436414
Energy: 1.4100341662019096
Energy: 1.0889369609183486
Energy: 1.4100341662506055
Energy: 1.1294583785107284
Energy: 1.2315176823480354
Energy: 1.1140631422986702
Energy: 1.2315176823480354
Energy: 1.223058104315996
Energy: 1.4155639547611385
Energy: 1.0973789389138702
Energy: 1.4155639547611385
Energy: 1.1198153717691468
Energy: 1.2051418057956618
Energy: 1.3768919383942122
Energy: 1.2051418057971621
Energy: 1.0865225912607113
Energy: 1.3212720722766687
Energy: 1.2191344563615243
Energy: 1.3212720722744178
Energy: 1.119760040751291
Energy: 1.20616643903053
Energy: 1.3892070547671342
Energy: 1.2061664390297795
Energy: 1.0981042410880815
Energy: 1.1369793879094034
Energy: 1.2188623721847343
Energy: 1.1369793879086532
Energy: 1.114405859575734
Energy: 1.2065754605045576
Energy: 1.383714083213055
Energy: 1.2065754605038073
Energy: 1.196666578662255
Energy: 1.3213274871112266
Energy: 1.0972544393168193
Energy: 1.3213274871112266

minimum gb energy = 1.0839768433916679 eV
minimum distance =  2.20960927609919 Angstroms
sigma value = 37


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

Energy: 1.0607551594394766
Energy: 1.0599850242572622
Energy: 1.6853300018171031
Energy: 1.0599850242572622
Energy: 1.0449355973663155
Energy: 1.0599610489114746
Energy: 1.0084393781289256
Energy: 1.0599610489101838
Energy: 1.0248663320786853
Energy: 1.2211013851947115
Energy: 1.6860176979373318
Energy: 1.2211013851934207
Energy: 0.9983495287852614
Energy: 1.3577053150917995
Energy: 1.0086372257164276
Energy: 1.3577053150917995
Energy: 1.00671604623401
Energy: 1.0596518327023512
Energy: 1.0005565419876008
Energy: 1.0596518327010604
Energy: 0.995515165078914
Energy: 1.0599366164029957
Energy: 1.0013662635565128
Energy: 1.0599366164029957
Energy: 1.0429540837729305
Energy: 1.2648220532634895
Energy: 1.3122313863694317
Energy: 1.2648220532634895
Energy: 0.9990836346351355
Energy: 1.0610882947697242
Energy: 1.064196461820221
Energy: 1.0610882947697242
Energy: 1.0068495214438122
Energy: 1.0599510970987105
Energy: 1.325369420690187
Energy: 1.0599510970987105
Energy: 1.3872323810063116
Energy: 1.0612616333636342
Energy: 1.0013440700561864
Energy: 1.0612616333636342
Energy: 1.0429662642906952
Energy: 1.2541956852939478
Energy: 0.9997732825739565
Energy: 1.2541956852939478
Energy: 1.3741075033595553
Energy: 1.0601461539127255
Energy: 1.0085092389140184
Energy: 1.0601461539127255
Energy: 0.9974475438546692
Energy: 1.0607836859697348
Energy: 0.9957811828556614
Energy: 1.0607836859697348
Energy: 1.3255290907133501
Energy: 1.1200140947570087
Energy: 1.0069951076234223
Energy: 1.1200140947544273
Energy: 1.0597710425202238
Energy: 1.1190186285404742
Energy: 0.9982527299531123
Energy: 1.1190186285404742
Energy: 1.0602671795856522
Energy: 1.0610877981646483
Energy: 1.0087078346016451
Energy: 1.0610877981646483
Energy: 0.9975351898808363
Energy: 1.2021490009439204
Energy: 1.0084462943104526
Energy: 1.2021490009452112
Energy: 1.0084659772204951
Energy: 1.2540025691839196
Energy: 1.007472864125708
Energy: 1.2540025691839196
Energy: 1.0065188337386577
Energy: 1.0619514211441998
Energy: 0.9988144136232563
Energy: 1.0619514211441998
Energy: 0.9982298117211387
Energy: 1.0604934293241264
Energy: 0.9975620168332064
Energy: 1.0604934293241264

minimum gb energy = 0.995515165078914 eV
minimum distance =  2.27887952547775 Angstroms
sigma value = 25


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

Energy: 0.9913873061008075
Energy: 0.9309405695428835
Energy: 0.9047817093178372
Energy: 0.9309405695428835
Energy: 1.1902490543295383
Energy: 1.1815483653946999
Energy: 0.9319274136935501
Energy: 1.1815483653957075
Energy: 0.926383611804402
Energy: 0.926026138438206
Energy: 1.233744705156573
Energy: 0.926026138438206
Energy: 0.9367764670120745
Energy: 1.4153418966836622
Energy: 0.9322001494066889
Energy: 1.4153418966826543
Energy: 0.9340714571455546
Energy: 1.1818399119432847
Energy: 0.8988534460403731
Energy: 1.1818399119432847
Energy: 0.8969520063803299
Energy: 1.1807433721256833
Energy: 0.9322259307872502
Energy: 1.1807433721266911
Energy: 0.9346607471441455
Energy: 0.9262774197685608
Energy: 0.9379055930391765
Energy: 0.9262774197695687
Energy: 0.8959757121136191
Energy: 0.9907893952109288
Energy: 0.9283369136951273
Energy: 0.9907893952099209
Energy: 0.9333995521563183
Energy: 0.955941090071271
Energy: 1.1914693540393564
Energy: 0.9559410900702631
Energy: 0.8970309753618986
Energy: 1.1606973070754014
Energy: 0.9931242515366243
Energy: 1.1606973070754014
Energy: 0.9343842763958214
Energy: 0.9261921133612243
Energy: 1.4061925228542385
Energy: 0.9261921133622323
Energy: 1.2034732230676368
Energy: 1.3148203824947489
Energy: 0.9284608984159551
Energy: 1.3148203824957565
Energy: 0.9336389718750163
Energy: 0.9562412565257544
Energy: 1.1525220340695694
Energy: 0.9562412565267623
Energy: 1.2043163354699375
Energy: 1.2651751632653494
Energy: 0.9322228798608077
Energy: 1.2651751632653494
Energy: 0.934960527827088
Energy: 0.9261274261497551
Energy: 0.8965060834374936
Energy: 0.9261274261487472
Energy: 1.1930048280117982
Energy: 1.3183690216356516
Energy: 0.9332354909152041
Energy: 1.3183690216346438
Energy: 0.9333827374573896
Energy: 0.9904817677831894
Energy: 0.896172264656711
Energy: 0.9904817677831894
Energy: 1.1954049011022398
Energy: 1.1814940124951183
Energy: 0.9323784126430231
Energy: 1.1814940124961262
Energy: 0.9987448934120742
Energy: 0.9263174300791682
Energy: 0.8972097958123332
Energy: 0.9263174300791682
Energy: 1.410029840686609
Energy: 1.3173830501244086
Energy: 0.9330336111229309
Energy: 1.3173830501244086
Energy: 0.9330717446258908
Energy: 1.316329798304719
Energy: 0.8960662751014425
Energy: 1.316329798305727
Energy: 0.9264383872228329
Energy: 0.9561358279705188
Energy: 0.9319938966271719
Energy: 0.9561358279705188
Energy: 0.9340540694480561
Energy: 1.0397911099036303
Energy: 1.2043644457093003
Energy: 1.0397911099046384
Energy: 0.90061946134683
Energy: 1.1078476283754841
Energy: 0.9326269753024533
Energy: 1.1078476283774998
Energy: 0.9325955689953979
Energy: 1.315879783012117
Energy: 1.20093870273093
Energy: 1.315879783012117
Energy: 0.8970436539913496
Energy: 0.9908432471990941
Energy: 0.9260060105025796
Energy: 0.9908432471990941

minimum gb energy = 0.8959757121136191 eV
minimum distance =  2.28164654703276 Angstroms
sigma value = 41


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

Energy: 1.2421516892952178
Energy: 0.874456018724096
Energy: 1.111254438392259
Energy: 0.8744560187249223
Energy: 1.2791426472418357
Energy: 0.8522078197268611
Energy: 0.8405982678419348
Energy: 0.8522078197252085
Energy: 0.8719766998179254
Energy: 0.8377484643481751
Energy: 1.1115703946976714
Energy: 0.8377484643481751
Energy: 1.0676197547283273
Energy: 0.8529498176779408
Energy: 0.8405292867958559
Energy: 0.8529498176787671
Energy: 0.8347782191103865
Energy: 1.0789859545566034
Energy: 0.8246752274687126
Energy: 1.0789859545574296
Energy: 0.8568484394686104
Energy: 1.0397833881024945
Energy: 0.8404904831941509
Energy: 1.0397833881057996
Energy: 0.8393531962947652
Energy: 1.0409218606356503
Energy: 0.8576733273628462
Energy: 1.0409218606339976
Energy: 0.8193808239237738
Energy: 0.8724483887186736
Energy: 0.8359532878857135
Energy: 0.8724483887186736
Energy: 0.8438960665503811
Energy: 0.8744036714716441
Energy: 1.0677077124862875
Energy: 0.8744036714716441
Energy: 0.8201507344884572
Energy: 0.8382841001452938
Energy: 0.8731716273962664
Energy: 0.83828410014612
Energy: 0.8396550592838609
Energy: 0.8523281125560135
Energy: 1.4174548272044192
Energy: 0.8523281125560135
Energy: 0.8192115465576797
Energy: 1.0584257702281212
Energy: 1.243128359536354
Energy: 1.0584257702289477
Energy: 0.843712492164852
Energy: 0.8767557504051
Energy: 1.4268913093909146
Energy: 0.8767557504067527
Energy: 1.0701489769879808
Energy: 0.9807720580981778
Energy: 0.873100819008816
Energy: 0.9807720580973516
Energy: 0.8396896348353763
Energy: 0.852406691642724
Energy: 1.2415226720134096
Energy: 0.8524066916418978
Energy: 1.0753511801169957
Energy: 1.056284870532526
Energy: 0.836020249366106
Energy: 1.0562848705333523
Energy: 0.8439186761684824
Energy: 0.8743300932785645
Energy: 1.0302204214401443
Energy: 0.8743300932744331
Energy: 1.0798700481303773
Energy: 0.9666737219542298
Energy: 0.840615819204616
Energy: 0.9666737219542298
Energy: 0.8396266378682037
Energy: 0.8727351759635179
Energy: 0.8190224577368121
Energy: 0.8727351759626917
Energy: 1.0832588171236956
Energy: 1.0563519388795144
Energy: 0.8438752112166031
Energy: 1.0563519388803408
Energy: 0.8763223856661069
Energy: 0.8733066040093009
Energy: 0.8203944975024031
Energy: 0.8733066040093009
Energy: 1.4234822835480663
Energy: 0.9918377131156588
Energy: 0.8406020463005928
Energy: 0.9918377131156588
Energy: 1.2456992252711385
Energy: 1.0581027326500736
Energy: 0.8192931102760305
Energy: 1.0581027326500736
Energy: 1.2703351197512682
Energy: 1.0576420730494525
Energy: 0.8436788545557075
Energy: 1.0576420730494525
Energy: 0.8765910619746924
Energy: 0.9682680366184503
Energy: 0.8229036778551218
Energy: 0.9682680366201031
Energy: 1.2546526631351105
Energy: 0.8985721203348732
Energy: 0.8405534369716984
Energy: 0.8985721203489203
Energy: 0.8395717189381224
Energy: 1.0564391739918058
Energy: 1.0751965067174787
Energy: 1.0564391739876742
Energy: 0.8417120474004527
Energy: 0.874335701728161
Energy: 0.8437780908068059
Energy: 0.8743357017232034
Energy: 0.8438685452535339
Energy: 0.9682314296267982
Energy: 1.0728183668287339
Energy: 0.968231429631756
Energy: 0.818896506565947
Energy: 0.9314139686786501
Energy: 0.8448536710762834
Energy: 0.9314139677238236
Energy: 0.8478879858489934
Energy: 1.056989886584604
Energy: 1.0842734492957242
Energy: 1.0569898865829515
Energy: 0.819045633440107
Energy: 0.8740931383947019
Energy: 0.8814441982890056
Energy: 0.8740931383963545

minimum gb energy = 0.818896506565947 eV
minimum distance =  2.27233404795258 Angstroms
sigma value = 15


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

Energy: 1.132468315617744
Energy: 0.7966341274576786
Energy: 1.347601620995334
Energy: 0.7966341274562787
Energy: 1.3000416989630128
Energy: 0.7920722890221075
Energy: 0.7933129193523142
Energy: 0.7920722890249073
Energy: 0.8245990924198163
Energy: 0.7912249258599405
Energy: 1.0115825115668693
Energy: 0.7912249258599405
Energy: 1.1521244958997152
Energy: 0.7926937235348384
Energy: 0.7932341341650877
Energy: 0.7926937235355382
Energy: 0.7895065710808109
Energy: 0.8857184565463793
Energy: 0.7659165288794626
Energy: 0.8857184565407792
Energy: 1.1177131970416654
Energy: 0.7913708935453186
Energy: 0.7933984249289826
Energy: 0.7913708935481186
Energy: 0.7923861015124178
Energy: 0.9626695069434937
Energy: 0.792539833193396
Energy: 0.9626695069420939
Energy: 0.938721013716053
Energy: 0.9619023737965313
Energy: 0.793162709642757
Energy: 0.9619023737951312
Energy: 0.7953757715381728
Energy: 0.8094790084447047
Energy: 0.9746755786853759
Energy: 0.8094790084447047
Energy: 0.7573861777378162
Energy: 0.7908319062859437
Energy: 0.7902998272210158
Energy: 0.7908319062880436
Energy: 0.792384298287419
Energy: 0.7925594471340811
Energy: 1.1528228148152864
Energy: 0.7925594471340811
Energy: 0.7593548206666065
Energy: 0.7919095531111597
Energy: 0.8256098687737703
Energy: 0.7919095531104597
Energy: 0.7952897492309162
Energy: 0.81015204946353
Energy: 1.4288575486666542
Energy: 0.81015204946353
Energy: 0.7572081228338168
Energy: 0.79650598653969
Energy: 1.1333249546600332
Energy: 0.79650598654179
Energy: 0.7925666455100095
Energy: 0.7924131259929246
Energy: 1.43422321882759
Energy: 0.7924131259950244
Energy: 0.975550044246239
Energy: 0.7919017679288435
Energy: 0.8254708420880196
Energy: 0.7919017679288435
Energy: 0.7952808843134459
Energy: 0.8090486215924753
Energy: 1.284802543597919
Energy: 0.8090486215924753
Energy: 0.9765446947401891
Energy: 0.8796009619370713
Energy: 0.7902098456090851
Energy: 0.8796009619370713
Energy: 0.7923502534501667
Energy: 0.7903814154200385
Energy: 1.1175259603940983
Energy: 0.7903814154241746
Energy: 0.9721506662626209
Energy: 0.7929736883691646
Energy: 0.793104350481416
Energy: 0.7929736883698647
Energy: 0.7952536239928407
Energy: 0.978620603921626
Energy: 0.9395038778030348
Energy: 0.978620603921626
Energy: 0.998208348280621
Energy: 0.8077003873619499
Energy: 0.799092685670129
Energy: 0.8077003855735343
Energy: 0.792573888092458
Energy: 0.7904135022411918
Energy: 0.7574723582324061
Energy: 0.7904135022411918
Energy: 1.3321207308998446
Energy: 0.7927697313374142
Energy: 0.7931506676835527
Energy: 0.7927697313374142
Energy: 0.8277934647075761
Energy: 0.8250023538506823
Energy: 0.758877434719855
Energy: 0.8250023538478825
Energy: 1.3034026414518007
Energy: 0.8072396319533315
Energy: 0.799121854041926
Energy: 0.8072396319533315
Energy: 1.1350792180713876
Energy: 0.7909297760207964
Energy: 0.7574778582886281
Energy: 0.7909297760214964
Energy: 1.4330783917375778
Energy: 0.9493773221823972
Energy: 0.7933590608708223
Energy: 0.9493773221830974
Energy: 0.8278114296095693
Energy: 0.9100505245714414
Energy: 0.7647233862728766
Energy: 0.9100505245651415
Energy: 1.1515358925108392
Energy: 0.8079724280433114
Energy: 0.7990280540781562
Energy: 0.8079724280419114
Energy: 0.7925816999263263
Energy: 0.8787494576748459
Energy: 0.9769048258690829
Energy: 0.878749457675546
Energy: 1.117833114986227
Energy: 0.7897862806435207
Energy: 0.7933156878005508
Energy: 0.789786280644157
Energy: 0.7952879606118194
Energy: 0.9090339657490568
Energy: 0.9867913102407134
Energy: 0.9090339657469569
Energy: 0.7880114438042309
Energy: 0.8255366914153519
Energy: 0.7991408584684252
Energy: 0.825536691416052
Energy: 0.7851807769352566
Energy: 0.8760009862369794
Energy: 0.9894010844063701
Energy: 0.8760009862383794
Energy: 0.757592953848848
Energy: 0.7898233896576079
Energy: 0.7962578054170139
Energy: 0.7898233896590079
Energy: 0.7956491802470829
Energy: 0.9124632802545585
Energy: 1.3283385895045132
Energy: 0.9124632802573583

minimum gb energy = 0.7572081228338168 eV
minimum distance =  2.27296876026295 Angstroms
sigma value = 85


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

Energy: 1.0729866848598353
Energy: 0.7797019374768905
Energy: 0.9117069487071026
Energy: 0.7797019374756763
Energy: 1.32401513494637
Energy: 0.7736451904968641
Energy: 0.7310545580728708
Energy: 0.7736451904962569
Energy: 1.025818723855409
Energy: 0.77369324609608
Energy: 0.91183073692182
Energy: 0.77369324609608
Energy: 1.2737876825870205
Energy: 0.7736912562489605
Energy: 0.7311535873769507
Energy: 0.7736912562489605
Energy: 0.771921017889385
Energy: 0.7292048699699761
Energy: 0.6849647976638924
Energy: 0.7292048699705832
Energy: 1.1375764019347403
Energy: 0.774339246630913
Energy: 0.7314463583958088
Energy: 0.7743392466296989
Energy: 0.7275136170663739
Energy: 0.9230600641236076
Energy: 0.746212371753363
Energy: 0.9230600641242147
Energy: 1.0010727557778016
Energy: 0.77227076555706
Energy: 0.7309436802549215
Energy: 0.77227076555706
Energy: 0.7303958334164163
Energy: 0.8777066476386369
Energy: 0.9037384318241292
Energy: 0.8777066476392441
Energy: 0.842764464015132
Energy: 0.9226964504063029
Energy: 0.7281935625843203
Energy: 0.922696450424516
Energy: 0.7315603025660727
Energy: 0.7736061444097753
Energy: 1.0619623091255908
Energy: 0.7736061444091681
Energy: 0.684958576540421
Energy: 0.7721734661218188
Energy: 0.772988566513123
Energy: 0.7721734661212116
Energy: 0.7305132453843547
Energy: 0.7484554269034732
Energy: 1.1917398014913823
Energy: 0.7484554269034732
Energy: 0.6891390797162681
Energy: 0.7740329173155808
Energy: 1.0266749231297023
Energy: 0.7740329173155808
Energy: 0.7316528933178471
Energy: 0.773690208442793
Energy: 1.407026738784309
Energy: 0.773690208442186
Energy: 0.6878921394321181
Energy: 0.7799461015059669
Energy: 1.0733333541713943
Energy: 0.7799461015059669
Energy: 0.7304297107471815
Energy: 0.7485069282838143
Energy: 1.4071462969169306
Energy: 0.7485069282832072
Energy: 0.8720927637793335
Energy: 0.7739153975453164
Energy: 1.0268277882383288
Energy: 0.7739153975453164
Energy: 0.7308581564290334
Energy: 0.7735759135112044
Energy: 1.2740352240135893
Energy: 0.7735759135118115
Energy: 0.8762797749576351
Energy: 0.7796706007909459
Energy: 0.7730505091857649
Energy: 0.7796706007909459
Energy: 0.7306542457341629
Energy: 0.7485366004090462
Energy: 1.137486077530016
Energy: 0.7485366004096534
Energy: 0.8726379035507018
Energy: 0.8982084145241366
Energy: 0.7283645458958328
Energy: 0.8982084145241366
Energy: 0.733076450175764
Energy: 0.772050309925956
Energy: 1.0009130241109792
Energy: 0.7720503099308127
Energy: 0.883288977856758
Energy: 0.8038514985874217
Energy: 0.7312148683383222
Energy: 0.8038514985874217
Energy: 0.7305078916357234
Energy: 0.7718119103427244
Energy: 0.842458561936269
Energy: 0.7718119103427244
Energy: 1.182748082597474
Energy: 0.7738022166576904
Energy: 0.7314882818444612
Energy: 0.7738022166582975
Energy: 0.7747002013099736
Energy: 0.7719757307465084
Energy: 0.684682490138996
Energy: 0.7719757307477225
Energy: 1.198959611578079
Energy: 0.8039583463341536
Energy: 0.7311701015466634
Energy: 0.8039583463335466
Energy: 1.028850484660458
Energy: 0.8988952642094714
Energy: 0.6872942533745107
Energy: 0.8988952642076501
Energy: 1.4068126071272395
Energy: 0.7738250913122405
Energy: 0.731229985327748
Energy: 0.7738250913122405
Energy: 1.075922372355381
Energy: 0.7719952839731051
Energy: 0.6850096245752543
Energy: 0.7719952839731051
Energy: 1.302226988053756
Energy: 0.80391448829129
Energy: 0.7312222523608074
Energy: 0.8039144882918972
Energy: 1.0289100879461768
Energy: 0.8989317203033611
Energy: 0.6909402594938787
Energy: 0.8989317203033611
Energy: 1.2739539906061528
Energy: 0.8981229786267716
Energy: 0.7326953918929628
Energy: 0.8981229786267716
Energy: 0.7751484568160161
Energy: 0.7718549562406138
Energy: 0.8757431960221242
Energy: 0.7718549562400068
Energy: 1.0200762937214778
Energy: 0.7994164860003187
Energy: 0.7313701068960572
Energy: 0.7994164860003187
Energy: 0.7307204066040359
Energy: 0.8981579908978591
Energy: 0.8723355749982749
Energy: 0.898157990897252
Energy: 1.0008584011539494
Energy: 0.7716999704755853
Energy: 0.7303107941910824
Energy: 0.7716999704755853
Energy: 0.7320776435704736
Energy: 0.7717266765340238
Energy: 0.8834651211704003
Energy: 0.771726676535238
Energy: 0.6973994613125125
Energy: 0.9504081717512709
Energy: 0.7272730257269512
Energy: 0.9504081717512709
Energy: 0.7300377796538152
Energy: 0.8981963727261582
Energy: 1.1827378277545035
Energy: 0.8981963727261582
Energy: 0.6845951781741642
Energy: 0.7718577637063586
Energy: 0.771863951035184
Energy: 0.7718577637069657
Energy: 0.7310339181037853
Energy: 0.7717526740790634
Energy: 1.1990549518265061
Energy: 0.7717526740790634

minimum gb energy = 0.6845951781741642 eV
minimum distance =  2.28719896762861 Angstroms
sigma value = 113


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

Energy: 0.020445623495666265
Energy: 0.02098029539336906
Energy: 0.9080763691911012
Energy: 0.020980295392902353
Energy: 0.9074151618981954
Energy: 0.4453387425726962
Energy: 0.4463440397264777
Energy: 0.44533874257222944
Energy: 0.020445623495666265
Energy: 0.02098029539336906
Energy: 0.9080758100127831
Energy: 0.020980295392902353
Energy: 0.9074151618981954
Energy: 0.4453387425726962
Energy: 0.44634403972694436
Energy: 0.4453387425726962
Energy: 0.020445623495666265
Energy: 0.02098029539336906
Energy: 0.9080759502468481
Energy: 0.020980295392902353
Energy: 0.9074151618981954
Energy: 0.4453387425731629
Energy: 0.4463440397255442
Energy: 0.4453387425726962

minimum gb energy = 0.020445623495666265 eV
minimum distance =  2.4858880400005 Angstroms
sigma value = 1