Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535640519527
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9374481164308399e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.017335751885765836
Energy: 0.01754749448542821
Energy: 7.429700548559645
Energy: 6.3022025287391115
Energy: 0.01754749448542821
Energy: 0.23931860623466164
Energy: 1.4172725897957763
Energy: 0.23931860623383375
Energy: 7.439264489546262
Energy: 1.4172725897949483
Energy: 1.6558997641641895
Energy: 1.4172725897949483
Energy: 6.323202654954206
Energy: 0.23931860623383375
Energy: 1.4172725897957763
Energy: 0.23931860623383375

minimum gb energy = 0.017335751885765836 eV
minimum distance =  2.67787599683211 Angstroms
sigma value = 1


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

Energy: 2.838497827951578
Energy: 1.5958559083226231
Energy: 10.403192745508612
Energy: 6.339279524312605
Energy: 2.71520519299703
Energy: 1.5881838929633896
Energy: 1.529900124935909
Energy: 1.5881838929623853
Energy: 2.6858693217972185
Energy: 1.4547742655168543
Energy: 1.4569698887849325
Energy: 1.4547742655148463
Energy: 2.71637024105661
Energy: 1.7148451876942017
Energy: 1.4882919484853285
Energy: 1.7148451876931974
Energy: 2.6346815420977534
Energy: 1.6344864267884749
Energy: 8.550462160084209
Energy: 1.6344864267754224
Energy: 2.716625534665031
Energy: 1.7151427868519526
Energy: 1.8812927384026799
Energy: 1.7151427868509488
Energy: 2.728270374503648
Energy: 1.6788775366607522
Energy: 1.864904399037602
Energy: 1.6788775366607522
Energy: 2.2911973886497212
Energy: 1.7290558754466352
Energy: 1.8268977677512503
Energy: 1.729055875445631
Energy: 2.1548336248522624
Energy: 1.8419084590336852
Energy: 2.2370922598743417
Energy: 1.8419084590326809
Energy: 2.291039549108871
Energy: 1.727796803284886
Energy: 2.3095916295482906
Energy: 1.727796803284886
Energy: 2.344963582203252
Energy: 1.7271449302075306
Energy: 2.2605555996741487
Energy: 1.7271449302065263
Energy: 1.8261928009668318
Energy: 1.7296810758393282
Energy: 2.2853612342866763
Energy: 1.7296810758403325
Energy: 1.8838455749054472
Energy: 1.6771983404755408
Energy: 2.2823482753929416
Energy: 1.6771983404755408
Energy: 1.8257682174814014
Energy: 1.7173855674646863
Energy: 2.7161426802246105
Energy: 1.7173855674646863
Energy: 5.9805478479193415
Energy: 1.5983065739212203
Energy: 2.4096592069935983
Energy: 1.5983065739192122
Energy: 1.487533226956453
Energy: 1.7156927353122
Energy: 2.711871871006206
Energy: 1.7156927353122
Energy: 1.4552517323876568
Energy: 1.455156599526082
Energy: 2.7083600634204457
Energy: 1.45515659952809
Energy: 1.5289597486083708
Energy: 1.5275812362870256
Energy: 2.715098921236856
Energy: 1.5275812362860213
Energy: 8.80888554196728
Energy: 1.4882106558791517
Energy: 2.5604683303766334
Energy: 1.4882106558771435
Energy: 1.6630397435465922
Energy: 1.6799914742931237
Energy: 2.6821886661293637
Energy: 1.6799914742951314
Energy: 1.6038170693057887
Energy: 1.5412177666222913
Energy: 2.7165772436420035
Energy: 1.5412177666232951
Energy: 1.6067031973777461
Energy: 1.6190254703842282
Energy: 2.5512018603141278
Energy: 1.619025470383224
Energy: 1.587200396154803
Energy: 1.72716075410008
Energy: 2.3478599102667004
Energy: 1.7271607541010838
Energy: 2.0641760495230894
Energy: 1.7278578052536016
Energy: 2.5461913133046252
Energy: 1.7278578052536016
Energy: 2.129696193815083
Energy: 1.726376946850791
Energy: 2.574167762326733
Energy: 1.726376946851795
Energy: 2.0725862243580044
Energy: 1.726254375385776
Energy: 2.0564803937843212
Energy: 1.726254375385776
Energy: 2.0563913127502222
Energy: 1.725339902547478
Energy: 2.1361481153713386
Energy: 1.725339902547478
Energy: 2.553293962014103
Energy: 1.7266009113184921
Energy: 2.0547094705797986
Energy: 1.726600911316484
Energy: 2.4148660605825323
Energy: 1.7275391879345936
Energy: 5.716864097728413
Energy: 1.7275391879335895
Energy: 2.4401904336888998
Energy: 1.727290583308872
Energy: 1.588944511578478
Energy: 1.7272905833098762
Energy: 2.5591757276906737
Energy: 1.542419578142115
Energy: 1.588737354337114
Energy: 1.5424195781431194
Energy: 2.714352224356988
Energy: 1.5808572100583502
Energy: 1.6247953742603114
Energy: 1.5808572100583502
Energy: 2.6982293305483607
Energy: 5.547456479677741
Energy: 10.736574259510965
Energy: 5.583320549980932

minimum gb energy = 1.4547742655148463 eV
minimum distance =  1.57951002163099 Angstroms
sigma value = 1


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

Energy: 3.1454183276197427
Energy: 2.8512342466974885
Energy: 9.202026056550398
Energy: 8.948243421257645
Energy: 2.5903514028727073
Energy: 1.6081938937745268
Energy: 1.6062523321585702
Energy: 1.6081938937745268
Energy: 2.6128886560762323
Energy: 1.4962532660878574
Energy: 1.495719673457476
Energy: 1.4962532660878574
Energy: 2.6309914103157195
Energy: 1.7668169629189374
Energy: 1.6066611573594047
Energy: 1.7668169629178445
Energy: 2.681564928141767
Energy: 1.6528961598684202
Energy: 12.923047370172052
Energy: 1.6528961598684202
Energy: 2.6154300758767044
Energy: 1.766445871456009
Energy: 1.8705853893584425
Energy: 1.766445871456009
Energy: 2.6167279680872295
Energy: 1.6651398724392927
Energy: 1.8308591395591716
Energy: 1.6651398724392927
Energy: 2.324771432846907
Energy: 1.6660311310516793
Energy: 1.7894108729113525
Energy: 1.666031131052824
Energy: 2.3190185402090773
Energy: 1.7836209486224546
Energy: 2.1216143097217857
Energy: 1.783620948576716
Energy: 2.3945246614357445
Energy: 1.7806791584396058
Energy: 2.319072796184528
Energy: 1.7806791584396058
Energy: 8.99530320252677
Energy: 1.7811466236519686
Energy: 2.1493007676563542
Energy: 1.7811466236519686
Energy: 1.7876533678840403
Energy: 1.785246711981042
Energy: 2.0365801896634843
Energy: 1.785246711981042
Energy: 1.8255848451134997
Energy: 1.6664115603124738
Energy: 2.6353406687310583
Energy: 1.666411560311329
Energy: 1.8863384652826833
Energy: 1.7672695269307928
Energy: 2.612194601686605
Energy: 1.7672695269307928
Energy: 9.213745307118248
Energy: 8.975757275343193
Energy: 2.583533381927242
Energy: 9.102800314011349
Energy: 1.6058642670899836
Energy: 1.7671773227042835
Energy: 2.583479038217982
Energy: 1.7671773227031387
Energy: 1.4964846559272222
Energy: 1.4960904456399737
Energy: 2.615692490547888
Energy: 1.4960904456411186
Energy: 1.4973620722575132
Energy: 1.4990078018747544
Energy: 2.614940033574911
Energy: 1.4990078018747544
Energy: 14.502214423462448
Energy: 1.6535940895734549
Energy: 2.6458883757234983
Energy: 1.6535940896260621
Energy: 1.9708069275821556
Energy: 1.7661427998550527
Energy: 2.614665141924716
Energy: 1.7661427998561974
Energy: 1.7795871823499774
Energy: 1.6645717842455838
Energy: 2.612411748796543
Energy: 1.6645717842467285
Energy: 1.7817706287722643
Energy: 1.6647912287953335
Energy: 2.3210248058070446
Energy: 1.6647912287964781
Energy: 1.7831342148728602
Energy: 1.7807065608694177
Energy: 2.651026461704419
Energy: 1.7807065608682726
Energy: 2.321033002186464
Energy: 1.7827785559977198
Energy: 2.320331491570283
Energy: 1.7827785559965752
Energy: 2.1432748049105674
Energy: 1.7803247267645288
Energy: 8.925687432089578
Energy: 1.7803247267645288
Energy: 2.0399784186243153
Energy: 1.779876012644921
Energy: 1.8008224608216261
Energy: 1.779876012644921
Energy: 2.320140907683289
Energy: 1.6649252796943546
Energy: 1.8267488744085258
Energy: 1.6649252796943546
Energy: 2.6122806720867655
Energy: 1.6650368578352748
Energy: 1.883788939809355
Energy: 1.6650368578364194
Energy: 2.583767083904458
Energy: 8.551041734410555
Energy: 8.47183006596009
Energy: 8.338984757428541

minimum gb energy = 1.495719673457476 eV
minimum distance =  1.59537282391843 Angstroms
sigma value = 25


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

Energy: 3.0072298016509698
Energy: 1.8772357998512474
Energy: 6.760740795262083
Energy: 6.9072015193735
Energy: 2.4451789447874326
Energy: 1.6748542717014614
Energy: 1.6741791167820257
Energy: 1.6748542717001307
Energy: 2.496280369794515
Energy: 1.5788170496107503
Energy: 1.5799527117915488
Energy: 1.57881704960945
Energy: 2.491500277099359
Energy: 1.6163093168889098
Energy: 1.6150318060226863
Energy: 1.6163093168875788
Energy: 2.7406093620606278
Energy: 1.806000460265685
Energy: 2.0245816011089524
Energy: 1.806000460265685
Energy: 2.4913467897094685
Energy: 1.80363796042376
Energy: 2.1187813279857712
Energy: 1.8036379604224293
Energy: 2.492879939268492
Energy: 1.872694325841309
Energy: 2.1537042573954066
Energy: 1.872694325841309
Energy: 2.0826734912233125
Energy: 1.875587542054998
Energy: 2.083820105980457
Energy: 1.875587542054998
Energy: 2.193302164933744
Energy: 1.8720541865389408
Energy: 2.366672429973005
Energy: 1.8720541865376101
Energy: 2.1153763780926145
Energy: 1.872999080155109
Energy: 2.554509834893205
Energy: 1.872999080155109
Energy: 6.445984124821871
Energy: 1.7647576965378104
Energy: 2.53686755204858
Energy: 1.7647576965378104
Energy: 1.6149140096168082
Energy: 1.6197336052535694
Energy: 2.5429135648676158
Energy: 1.6197336052535694
Energy: 1.5780171891809067
Energy: 1.5789261680523927
Energy: 2.499024503335003
Energy: 1.5789261680523927
Energy: 1.6742383974734083
Energy: 1.675791201022736
Energy: 2.5010288721882965
Energy: 1.6757912010214053
Energy: 9.803138806054768
Energy: 1.616392739806284
Energy: 2.7100737125864636
Energy: 1.616392739806284
Energy: 1.857207059083936
Energy: 1.7598552488468096
Energy: 2.488304456744939
Energy: 1.7598552488468096
Energy: 1.7673133829599554
Energy: 1.7084389433510994
Energy: 2.5014043624907454
Energy: 1.7084389433497682
Energy: 1.769364134652739
Energy: 1.708166406599865
Energy: 2.374791810886013
Energy: 1.708166406599865
Energy: 1.7715369524979443
Energy: 1.9200283842473949
Energy: 2.2217952945124377
Energy: 1.9200283842473949
Energy: 2.3765869973595293
Energy: 1.9211280546889842
Energy: 2.375793538407609
Energy: 1.9211280546889842
Energy: 2.3213465766455554
Energy: 1.9195017544850297
Energy: 2.375899073249368
Energy: 1.919501754483699
Energy: 2.268480183947003
Energy: 1.91934674968631
Energy: 1.820265737099946
Energy: 1.91934674968631
Energy: 2.3739297820738177
Energy: 1.7083702486153511
Energy: 1.7923072226579586
Energy: 1.7083702486153511
Energy: 2.4990998616449795
Energy: 1.7611454524479488
Energy: 1.8184586486657757
Energy: 1.7611454524492796
Energy: 2.694947894229589
Energy: 1.6253445253201648
Energy: 5.975783697902138
Energy: 1.6253445253175034

minimum gb energy = 1.5780171891809067 eV
minimum distance =  2.51134897119577 Angstroms
sigma value = 9


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

Energy: 2.6823273474191685
Energy: 2.5048792828937483
Energy: 10.455193013708755
Energy: 10.507215068113538
Energy: 2.3348511935756315
Energy: 1.5998784711034695
Energy: 1.767194106719075
Energy: 1.5998784711034695
Energy: 2.3830203973326416
Energy: 1.5987937995659713
Energy: 1.594934834687294
Energy: 1.5987937995675587
Energy: 2.3813915498090905
Energy: 1.7680105828330277
Energy: 1.7685734043597743
Energy: 1.7680105828330277
Energy: 2.1261087027344328
Energy: 1.8057007845542603
Energy: 1.9638775280658987
Energy: 1.8057007963299205
Energy: 2.3812445462387464
Energy: 1.8374260802135163
Energy: 2.1510724680947533
Energy: 1.8374260802135163
Energy: 2.3828019328892194
Energy: 1.8391737001163568
Energy: 1.5783074574797302
Energy: 1.8391737001163568
Energy: 2.008876876715186
Energy: 1.839706122517954
Energy: 2.0052060839529675
Energy: 1.839706122517954
Energy: 2.1186785392850283
Energy: 1.8411719808574076
Energy: 2.3843453911313235
Energy: 1.841171980858995
Energy: 2.1516215062595645
Energy: 1.8379806593007963
Energy: 2.381511346996172
Energy: 1.8379806593023837
Energy: 10.69419487650793
Energy: 10.472245668710418
Energy: 2.6181700614475507
Energy: 10.511376859878114
Energy: 10.153537614201918
Energy: 1.6021571528802303
Energy: 2.3349469119355803
Energy: 1.6021571528802303
Energy: 1.5999052429995728
Energy: 1.599207663863779
Energy: 2.384033432292037
Energy: 1.599207663863779
Energy: 1.6011365568749887
Energy: 1.599465539697969
Energy: 2.3819440446074243
Energy: 1.599465539697969
Energy: 1.7661422966211848
Energy: 1.8054560701331392
Energy: 2.1272819934376335
Energy: 1.805456070147427
Energy: 2.1532291421208947
Energy: 1.98560578734373
Energy: 2.381720517451459
Energy: 1.98560578734373
Energy: 1.5795257213372154
Energy: 1.8381171892222774
Energy: 2.381224567453854
Energy: 1.8381171892222774
Energy: 1.579052475706958
Energy: 1.8383039689210674
Energy: 2.152568817873161
Energy: 1.8383039689210674
Energy: 2.009146028160336
Energy: 1.8390352958161456
Energy: 2.139319230134807
Energy: 1.8390352958129703
Energy: 2.3819479887209414
Energy: 1.8391174030488557
Energy: 2.1521571039577863
Energy: 1.8391174030488557
Energy: 2.623448416484721
Energy: 1.9853812997279234
Energy: 10.589346147182809
Energy: 1.9853812997279234

minimum gb energy = 1.5783074574797302 eV
minimum distance =  2.4687602040165 Angstroms
sigma value = 25


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

Energy: 2.3720228097470413
Energy: 1.9299954889210758
Energy: 8.329621331403388
Energy: 8.145464094276983
Energy: 2.127923666016175
Energy: 1.7552252208301349
Energy: 1.974168984186699
Energy: 1.7552252208301349
Energy: 2.2296145180595035
Energy: 1.6970158548436656
Energy: 1.698332421612673
Energy: 1.6970158548436656
Energy: 2.384424310951353
Energy: 1.737183874154459
Energy: 1.7350972293169016
Energy: 1.737183874154459
Energy: 2.0424026351548865
Energy: 1.808606998594873
Energy: 2.227272590276727
Energy: 1.808606998594873
Energy: 2.2873383177157334
Energy: 1.7389840251388127
Energy: 2.2292348704289697
Energy: 1.738984025142739
Energy: 7.607636375501811
Energy: 1.9338618141782715
Energy: 2.374244558355179
Energy: 1.9338618141782715
Energy: 1.7353367012469543
Energy: 1.736683314972131
Energy: 2.2727502614695574
Energy: 1.736683314972131
Energy: 1.6941366053583657
Energy: 1.6964133697913073
Energy: 2.229253307450332
Energy: 1.6964133697913073
Energy: 1.8231821025302226
Energy: 1.7583300364293473
Energy: 2.320950202147005
Energy: 1.7583300364273844
Energy: 12.708715229924884
Energy: 1.7542326497939724
Energy: 2.5010828879183946
Energy: 1.754232649797899
Energy: 2.3068883737394446
Energy: 1.9746985447035161
Energy: 2.4369574102140588
Energy: 1.9746985447035161
Energy: 2.0131350670911465
Energy: 1.9194775733619625
Energy: 2.3206808856733563
Energy: 1.9194775733619625
Energy: 2.0089987353999286
Energy: 1.91959477770196
Energy: 2.0894892346501
Energy: 1.9195947777039233
Energy: 2.113114495502119
Energy: 1.6960538307431074
Energy: 2.056364854561319
Energy: 1.696053833953574
Energy: 2.228143291210605
Energy: 1.9190208235091608
Energy: 2.0863314635875323
Energy: 1.9190208235111241
Energy: 2.132557783311917
Energy: 1.9752789168718827
Energy: 7.606448112221268
Energy: 1.9752789168718827

minimum gb energy = 1.6941366053583657 eV
minimum distance =  2.52528823137136 Angstroms
sigma value = 17


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

Energy: 3.2750047571170215
Energy: 1.689207695609635
Energy: 10.96254755478525
Energy: 6.44904993556683
Energy: 2.0589355880977016
Energy: 1.7107651452936634
Energy: 2.0628596144049998
Energy: 1.7107651452969992
Energy: 2.0998457955230094
Energy: 1.7122604795532665
Energy: 1.7167631696292878
Energy: 1.7122604795510425
Energy: 2.1403543423307934
Energy: 1.7339340901621023
Energy: 1.7927676150039944
Energy: 1.7339340901621023
Energy: 2.1489028368092797
Energy: 1.8832725894369917
Energy: 2.083218037562383
Energy: 1.8832725894369917
Energy: 2.208792681189926
Energy: 1.6714903694979326
Energy: 2.087252543516
Energy: 1.6714903694979326
Energy: 5.879910946907055
Energy: 1.8956241280290056
Energy: 2.146169725476173
Energy: 1.8956241280267816
Energy: 1.8945310950708634
Energy: 1.8945460085130046
Energy: 2.3526617136559476
Energy: 1.8945460085130046
Energy: 1.716757342513656
Energy: 1.6707158574774479
Energy: 2.099371520402294
Energy: 1.6707158574785597
Energy: 1.7204056889640242
Energy: 1.6710741887627167
Energy: 2.273783094207568
Energy: 1.6710741887616052
Energy: 1.8443146110237334
Energy: 1.6986870742072908
Energy: 2.1528446464996285
Energy: 1.6986870742072908
Energy: 2.137601722262373
Energy: 1.7652986049421748
Energy: 2.2565588364905214
Energy: 1.7652986049410628
Energy: 2.159136230302624
Energy: 1.7658922060581128
Energy: 2.135209692690644
Energy: 1.7658922060592248
Energy: 2.1464839520386487
Energy: 1.7636841685216782
Energy: 5.459942684155315
Energy: 1.7636841688084461
Energy: 2.2548561296574174
Energy: 1.67212379296355
Energy: 1.7139917356793355
Energy: 1.67212379296355
Energy: 2.167331173894106
Energy: 1.6732216255728547
Energy: 1.74258035914496
Energy: 1.6732216255717427
Energy: 2.2539986355718247
Energy: 1.8982195043363352
Energy: 1.8934323337741608
Energy: 1.8982195043352235
Energy: 2.252468946728238
Energy: 1.8994133363469368
Energy: 2.2401442429063474
Energy: 1.8994133363469368
Energy: 2.0879831745381447
Energy: 1.7928444939321126
Energy: 2.1628639932789446
Energy: 1.7928444939332246
Energy: 2.0904055099844427
Energy: 2.0672554667216962
Energy: 2.107866183723453
Energy: 2.067255466713913
Energy: 1.7342268098210412
Energy: 1.7314309234057326
Energy: 2.1153295037197943
Energy: 1.7314309234068446
Energy: 1.709403396456249
Energy: 1.7134582637535645
Energy: 2.103509692227276
Energy: 1.7134582637546765
Energy: 2.143422166300789
Energy: 2.1423617298769195
Energy: 2.0982896105381803
Energy: 2.1423617298780315
Energy: 7.388779702163688
Energy: 1.7119921383558252
Energy: 2.251888748973285
Energy: 1.7119921383358108
Energy: 2.048013311743481
Energy: 1.7116177135005135
Energy: 2.073529824277046
Energy: 1.7116177134994022
Energy: 1.904247152651753
Energy: 1.7111212455360016
Energy: 2.105257369675036
Energy: 1.7111212455371134
Energy: 1.9324796108134592
Energy: 1.7123031362054897
Energy: 1.9614642997530247
Energy: 1.7123031362455179
Energy: 2.097852392331546
Energy: 1.7108422076221856
Energy: 1.9058541550688226
Energy: 1.7108422076221856
Energy: 2.097435410779188
Energy: 1.7116857090866182
Energy: 2.1822616230856466
Energy: 1.7116857090866182
Energy: 2.3511573145633564
Energy: 5.142703486842554
Energy: 11.303410817679453
Energy: 6.4281664383892325

minimum gb energy = 1.6707158574774479 eV
minimum distance =  1.58110094330018 Angstroms
sigma value = 53


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

Energy: 1.4497788930285616
Energy: 1.4885072552644951
Energy: 14.725820736235347
Energy: 13.825968531858178
Energy: 1.4513716358437265
Energy: 1.5016869254355858
Energy: 1.807578872442321
Energy: 1.5016869254355858
Energy: 1.9418127394485074
Energy: 1.5280750594096735
Energy: 1.4834417634960682
Energy: 1.5280750594096735
Energy: 1.9517157774934766
Energy: 1.8255742195767324
Energy: 2.1774701662851053
Energy: 1.8255742195767324
Energy: 2.1056070642244995
Energy: 1.8933503627289914
Energy: 2.1759821681437668
Energy: 1.8933503627289914
Energy: 1.9453262672145863
Energy: 1.5286438969602103
Energy: 2.174079817795442
Energy: 1.5286438969602103
Energy: 14.83607153303971
Energy: 13.983650638621171
Energy: 1.4589592260224618
Energy: 13.947499649624465
Energy: 14.689552866960605
Energy: 1.5009024445551926
Energy: 1.4506520605903066
Energy: 1.5009024445551926
Energy: 1.8027652887990468
Energy: 1.500494127368942
Energy: 1.9420032564334033
Energy: 1.500494127368942
Energy: 1.803961868897043
Energy: 1.5285563327704932
Energy: 1.9482046387802467
Energy: 1.5285563327704932
Energy: 2.177077652401554
Energy: 1.5038267047061105
Energy: 2.1059987280221883
Energy: 1.5038267047086704
Energy: 2.179613290711706
Energy: 1.8281947771696847
Energy: 1.9489157056860007
Energy: 1.8281947771696847
Energy: 1.4505158737091448
Energy: 1.5283739442643753
Energy: 15.251915155766872
Energy: 1.5283739442643753

minimum gb energy = 1.4497788930285616 eV
minimum distance =  2.47094571188712 Angstroms
sigma value = 9


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

Energy: 2.9722130127854767
Energy: 2.0128311719653977
Energy: 10.43145657667154
Energy: 6.0162674388632595
Energy: 2.5492170259979883
Energy: 1.9795108083468744
Energy: 2.312459358467431
Energy: 1.9795108083468744
Energy: 2.0369986887195055
Energy: 1.9239617664745245
Energy: 1.923864999967175
Energy: 1.9239617664764195
Energy: 1.9222565806350207
Energy: 1.8584138934171197
Energy: 1.8541661176583275
Energy: 1.8584138934190144
Energy: 1.8533181803099472
Energy: 1.8589469801855767
Energy: 1.9761416901087032
Energy: 1.858946980186524
Energy: 2.1645511219664266
Energy: 1.9189754298684192
Energy: 2.0694441866005384
Energy: 1.9189754298674715
Energy: 7.749832660652658
Energy: 2.260416582407686
Energy: 2.5116109339306822
Energy: 2.2604165824067386
Energy: 7.870290692378124
Energy: 2.368738041512582
Energy: 2.50920672931055
Energy: 2.368738041512582
Energy: 2.080233129849843
Energy: 1.877129977125036
Energy: 2.2204606127812094
Energy: 1.877129977125036
Energy: 1.923450375932977
Energy: 1.9385848100191883
Energy: 1.7790602115361405
Energy: 1.9385848100220304
Energy: 2.0931718674865234
Energy: 1.7792541263435355
Energy: 1.777802486836902
Energy: 1.7792541263425883
Energy: 2.0733338793414955
Energy: 1.8203678579653244
Energy: 1.937529208106988
Energy: 1.8203678579672193
Energy: 2.51481395185833
Energy: 2.0856783781723767
Energy: 2.086872291852363
Energy: 2.0856783781714294
Energy: 2.514298483169536
Energy: 2.0854685214625133
Energy: 8.018161085535743
Energy: 2.0854685214644086
Energy: 2.5154347768021372
Energy: 1.8080116565540771
Energy: 2.4678798641482107
Energy: 1.8080116565540771
Energy: 2.0934585416749534
Energy: 1.8090234659711404
Energy: 2.243361953078996
Energy: 1.8090234659692457
Energy: 1.8178380724551946
Energy: 1.8088546915694783
Energy: 2.3293893715106226
Energy: 1.8088546915685308
Energy: 1.912573472330647
Energy: 1.8288163357755414
Energy: 2.3336878376273282
Energy: 1.8288163357736467
Energy: 1.921830237462199
Energy: 1.9192870361509078
Energy: 2.518138240043117
Energy: 1.9192870361509078
Energy: 2.067044053052604
Energy: 1.9189626553322106
Energy: 2.3834564810521592
Energy: 1.9189626553322106
Energy: 2.5363468919244068
Energy: 1.9118387060156945
Energy: 2.5465184470553095
Energy: 1.9118387060147475
Energy: 2.421898906517251
Energy: 1.9230310371580328
Energy: 2.3371567860733014
Energy: 1.9230310371589803
Energy: 2.4498045631821728
Energy: 1.9227250708406871
Energy: 4.883126904172816
Energy: 1.9227250708397394
Energy: 2.4803952654388883
Energy: 1.8750755993098154
Energy: 1.9400022715596927
Energy: 1.875075599308868
Energy: 2.322343296004928
Energy: 1.8460394515633383
Energy: 1.8081895006685267
Energy: 1.8460394515633383
Energy: 2.099776321409781
Energy: 1.8096427921083087
Energy: 1.812395092479636
Energy: 1.8096427921007292
Energy: 2.331877527674596
Energy: 1.8084934795320702
Energy: 2.3489954696366224
Energy: 1.808493479538702
Energy: 2.4719958612551736
Energy: 2.0499029592323965
Energy: 2.5881488258569667
Energy: 2.0499029592314493
Energy: 5.066039473053603
Energy: 2.0857805947570034
Energy: 2.416583081762375
Energy: 2.0857805947570034
Energy: 2.085421279538315
Energy: 2.057970642430745
Energy: 2.3743493439832832
Energy: 2.057970642431693
Energy: 1.783133724725885
Energy: 1.9130587255098386
Energy: 2.1563230730551886
Energy: 1.913058725510786
Energy: 1.7787902695069422
Energy: 1.7815247566881494
Energy: 2.0736202047332943
Energy: 1.7815247566862547
Energy: 2.2550479183261594
Energy: 1.9360096589314142
Energy: 2.0827404555967637
Energy: 1.9360096589314142
Energy: 2.2430647755072797
Energy: 1.8007997886963556
Energy: 2.3946193570032928
Energy: 1.8007997886944607
Energy: 2.416524482470192
Energy: 5.9953126327157475
Energy: 10.172414484080223
Energy: 5.937585528808198

minimum gb energy = 1.777802486836902 eV
minimum distance =  1.57876401731479 Angstroms
sigma value = 73


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

Energy: 2.9192895462311954
Energy: 2.161204181521304
Energy: 7.079421549038816
Energy: 7.2687309728304506
Energy: 2.561295571853316
Energy: 2.018719038561818
Energy: 2.268051555809463
Energy: 2.0187190385663274
Energy: 2.1842825791719704
Energy: 1.954439633576457
Energy: 1.9215403134143583
Energy: 1.954439633576457
Energy: 1.925890832167105
Energy: 1.9097260466325334
Energy: 1.9189431712126408
Energy: 1.9097260466325334
Energy: 1.921181226564234
Energy: 1.9084014801333373
Energy: 2.1581474578961615
Energy: 1.908401480131834
Energy: 2.116983131116045
Energy: 1.8784100905432712
Energy: 2.0909719406552054
Energy: 1.8784100905432712
Energy: 10.030161584206642
Energy: 2.1821240790183785
Energy: 2.5965471789349026
Energy: 2.1821240790198817
Energy: 2.399384142350612
Energy: 2.1823977283218845
Energy: 2.600503324396605
Energy: 2.1823977283218845
Energy: 2.255848366623702
Energy: 1.9361045180808256
Energy: 2.406952324526427
Energy: 1.9361045180808256
Energy: 2.0874508183107805
Energy: 1.9369616196839559
Energy: 1.819662924987285
Energy: 1.9369616196839559
Energy: 2.224801049493412
Energy: 1.818901382444189
Energy: 1.8182463449384487
Energy: 1.8189013824426858
Energy: 2.3410377986417488
Energy: 1.8641600410622805
Energy: 1.9415485664543715
Energy: 1.8641600410607775
Energy: 2.2442570437515164
Energy: 1.9340356733139201
Energy: 1.9341733768571043
Energy: 1.9340356733139201
Energy: 2.238775750585746
Energy: 1.9347807979577942
Energy: 2.553870137655073
Energy: 1.9347807979592975
Energy: 2.457861770860408
Energy: 1.907895977826308
Energy: 2.5625406034454814
Energy: 1.907895977826308
Energy: 6.657502237325642
Energy: 1.9358853610486564
Energy: 2.4653055345443198
Energy: 1.9358853610471531
Energy: 1.9399335500511292
Energy: 1.9337512807140118
Energy: 2.462405000685978
Energy: 1.9337512807140118
Energy: 2.0271170713160185
Energy: 1.8647728357426046
Energy: 2.3102318811515654
Energy: 1.8647728357426046
Energy: 1.8180504125573567
Energy: 1.8193396809307982
Energy: 2.2459823510235606
Energy: 1.819339680900735
Energy: 1.92585158328182
Energy: 1.9366493840000216
Energy: 2.2484899758735803
Energy: 1.9366493839985186
Energy: 2.2690417534849887
Energy: 1.8183905732123187
Energy: 2.2581897676833083
Energy: 1.8183906255785076
Energy: 2.4578636445724014
Energy: 2.2654727645323858
Energy: 6.654538247614325
Energy: 2.2654727645323858

minimum gb energy = 1.8180504125573567 eV
minimum distance =  2.44739396009795 Angstroms
sigma value = 7


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

Energy: 3.441264356260155
Energy: 1.9918776193723986
Energy: 8.668567232820989
Energy: 8.297853444213358
Energy: 2.493266707840891
Energy: 1.949958654318814
Energy: 2.1870803905685503
Energy: 1.949958654318814
Energy: 2.089626417333118
Energy: 2.001631925708456
Energy: 1.9793649520531038
Energy: 2.001631925708456
Energy: 1.98294598835991
Energy: 1.9550944689499254
Energy: 1.9815994873724356
Energy: 1.9550944689488625
Energy: 1.9828243804262613
Energy: 1.9474905082876024
Energy: 2.079690359677416
Energy: 1.9474905082876024
Energy: 2.0892288495479594
Energy: 1.935095640660319
Energy: 2.188850211450444
Energy: 1.935095640659256
Energy: 13.207020953987499
Energy: 2.2349432665475475
Energy: 2.4023786104536735
Energy: 2.2349432665475475
Energy: 2.4560705347216514
Energy: 2.234783810850502
Energy: 2.400165525271618
Energy: 2.234783810851565
Energy: 2.3868359676344446
Energy: 2.00388418191086
Energy: 2.2792053894095723
Energy: 2.00388418191086
Energy: 2.0971304029638196
Energy: 2.0040344733582516
Energy: 7.8536506816227325
Energy: 2.0040344733582516
Energy: 2.3692699597449653
Energy: 1.9200027130818864
Energy: 1.8838083193635378
Energy: 1.920002713065943
Energy: 2.3688878451321402
Energy: 1.9621257435953403
Energy: 1.8899953271314784
Energy: 1.9621257435953403
Energy: 2.400219492384922
Energy: 1.8863001840968452
Energy: 1.8894350773460862
Energy: 1.8863001845091016
Energy: 2.404233166642106
Energy: 2.0036507775577688
Energy: 2.2109502845578524
Energy: 2.0036507775588315
Energy: 2.4852484015987457
Energy: 1.9489811718722196
Energy: 2.2127199678449316
Energy: 1.9489811718711567
Energy: 8.528867558084812
Energy: 8.736991007037714
Energy: 2.6778782493749302
Energy: 8.73108011872522
Energy: 8.109882557630257
Energy: 1.9515872776687668
Energy: 2.688864445077718
Energy: 1.9515872776698295
Energy: 2.1253937612983966
Energy: 1.9208908086706213
Energy: 2.1910106642426554
Energy: 1.9208908086801388
Energy: 1.9940182173758303
Energy: 1.9543067267254544
Energy: 1.986037624826377
Energy: 1.9543067267243917
Energy: 2.090051947653757
Energy: 1.9623095327066198
Energy: 1.9841926253511242
Energy: 1.9623095327066198
Energy: 2.195766583143952
Energy: 1.9131031585082905
Energy: 2.0188898003509266
Energy: 1.913103158513605
Energy: 2.4015647961726816
Energy: 2.2340927837832685
Energy: 2.234619138301157
Energy: 2.2340927837822058
Energy: 2.398428892823909
Energy: 2.2341961355715454
Energy: 2.5374039262517907
Energy: 2.2341961355704822
Energy: 2.282998246916358
Energy: 1.9202091188954864
Energy: 2.3820313838988545
Energy: 1.920209118898675
Energy: 8.05771351971592
Energy: 2.0039476285200584
Energy: 2.0995590537756192
Energy: 2.003947628518995
Energy: 1.8906761143206046
Energy: 1.885603682282696
Energy: 2.094552788666994
Energy: 1.8856036822784443
Energy: 1.8645973133420575
Energy: 1.9590781965246438
Energy: 2.37301064699789
Energy: 1.959078196523581
Energy: 1.8841225410485973
Energy: 1.8885389390751868
Energy: 2.4056959705599343
Energy: 1.8885389390773124
Energy: 1.9667123445634898
Energy: 2.004384696574371
Energy: 2.402868177211408
Energy: 2.0043846965733083
Energy: 2.214252788115314
Energy: 1.8852510908415445
Energy: 2.321196775389078
Energy: 1.8852510908404816
Energy: 2.750383469453725
Energy: 2.1820612997745523
Energy: 8.41335411561002
Energy: 2.1820612997660493

minimum gb energy = 1.8645973133420575 eV
minimum distance =  2.44533896705322 Angstroms
sigma value = 29


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

Energy: 2.5232619155329314
Energy: 2.048450126245915
Energy: 11.159114923339432
Energy: 11.089593865736399
Energy: 2.1322336076487467
Energy: 1.9501940819080985
Energy: 1.921109603300417
Energy: 1.950194081908469
Energy: 1.9239110974767752
Energy: 1.9488978364576959
Energy: 1.9827377149450063
Energy: 1.9488978364576959
Energy: 1.9836578877710551
Energy: 1.8559999590332226
Energy: 1.752992831965437
Energy: 1.8559999590324825
Energy: 1.986853229799312
Energy: 1.8619948505303205
Energy: 1.995149256682703
Energy: 1.861994850530691
Energy: 1.9679784209331113
Energy: 1.8458278964125747
Energy: 1.994038804658809
Energy: 1.8458278964122046
Energy: 2.1524344829248068
Energy: 2.1527992985497817
Energy: 1.9986151355835935
Energy: 2.1527992985447217
Energy: 2.1546174251895596
Energy: 2.1527041162815435
Energy: 2.0777271656304737
Energy: 2.1527041162819134
Energy: 2.1663646012726137
Energy: 1.9498052817352163
Energy: 1.9908710082101473
Energy: 1.9498052817355864

minimum gb energy = 1.752992831965437 eV
minimum distance =  2.47218234936421 Angstroms
sigma value = 5


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

Energy: 2.752767202476237
Energy: 2.4006355251395837
Energy: 10.362259237802006
Energy: 6.097751285678743
Energy: 2.2016341786183085
Energy: 2.1281399837167485
Energy: 2.1082502900092206
Energy: 2.1281399837167485
Energy: 2.0174225546322657
Energy: 1.985473585472048
Energy: 2.2910281388367073
Energy: 1.985473585472048
Energy: 1.9504140752272228
Energy: 1.9638768614782272
Energy: 2.2343787686115126
Energy: 1.9638768614762188
Energy: 1.9493829661702948
Energy: 1.9655030816233685
Energy: 2.1338716109978337
Energy: 1.965503081622364
Energy: 1.9421687589990357
Energy: 1.955690792042061
Energy: 2.136770982137711
Energy: 1.9556907920410571
Energy: 1.9362959211662296
Energy: 1.959364978870991
Energy: 2.141116995013262
Energy: 1.959364978870991
Energy: 2.087312035456902
Energy: 2.0244408243795604
Energy: 2.1420759234941684
Energy: 2.024440824380564
Energy: 2.2331527432562877
Energy: 1.9651991161897309
Energy: 1.964094331635047
Energy: 1.9651991161877225
Energy: 2.3397982546022784
Energy: 2.3052083114979642
Energy: 7.791471929717588
Energy: 2.3052083114979642
Energy: 2.3407362262095646
Energy: 1.9667289638065555
Energy: 2.087183983126272
Energy: 1.9667289638055516
Energy: 5.088017643070143
Energy: 2.141650149367031
Energy: 2.438570481348295
Energy: 2.141650149367031
Energy: 4.990532123238379
Energy: 2.142223978219477
Energy: 2.443664522663369
Energy: 2.142223978219477
Energy: 1.9679353414420229
Energy: 1.9654423882852698
Energy: 2.084630095688433
Energy: 1.9654423882872776
Energy: 2.1392708446577533
Energy: 2.002259011718119
Energy: 2.061597943058342
Energy: 2.002259011718119
Energy: 2.10500036261812
Energy: 1.958918564456356
Energy: 1.9505759002462222
Energy: 1.958918564456356
Energy: 2.1334510655521832
Energy: 2.174652933601745
Energy: 1.969221616877242
Energy: 2.174652933601745
Energy: 2.2356880009307325
Energy: 1.9584833610657535
Energy: 1.9459141345789077
Energy: 1.9584833610657535
Energy: 2.342744585229441
Energy: 2.0041989181551383
Energy: 1.9576281400243272
Energy: 2.0041989181551383
Energy: 2.2561661340053853
Energy: 1.946004107058763
Energy: 2.019900858244037
Energy: 1.946004107057759
Energy: 7.9325405252292205
Energy: 2.319606448908398
Energy: 2.5100707302056096
Energy: 2.319606448911365
Energy: 7.926444027821015
Energy: 2.3209555041157066
Energy: 2.5114152208879745
Energy: 2.3209555041187184
Energy: 2.4108889032330225
Energy: 1.9466057600136346
Energy: 2.016716708123887
Energy: 1.9466057600126305
Energy: 2.4448137003835257
Energy: 2.024367012945613
Energy: 4.988854343931363
Energy: 2.024367012946617
Energy: 2.3412030728119193
Energy: 1.9449432992614328
Energy: 2.0238100890813717
Energy: 1.9449432992614328
Energy: 2.1198505570761665
Energy: 2.087233919766936
Energy: 2.0407596543246695
Energy: 2.087233919768944
Energy: 1.9952904691147435
Energy: 1.966008819088218
Energy: 1.9966008236293606
Energy: 1.9660088190892218
Energy: 1.9951338755069543
Energy: 1.9632158527824974
Energy: 2.0041907152468768
Energy: 1.9632158527824974
Energy: 1.9484341298178065
Energy: 2.1004978956386937
Energy: 2.121275337843493
Energy: 2.1004978956386937
Energy: 2.0284752657072933
Energy: 2.0255168958468426
Energy: 2.3375008078880906
Energy: 2.025516895844835
Energy: 2.108352531772334
Energy: 2.0289207140267043
Energy: 2.338000168631787
Energy: 2.0289207140257
Energy: 2.094689001888781
Energy: 1.9479086595846513
Energy: 2.1656123998842336
Energy: 1.9479086595836472
Energy: 2.5823892619012816
Energy: 6.0192445730527755
Energy: 10.16959734897757
Energy: 5.997911385500164

minimum gb energy = 1.9362959211662296 eV
minimum distance =  1.58097063862611 Angstroms
sigma value = 1


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

Energy: 3.033977427074119
Energy: 1.8881876807216569
Energy: 9.248641682896757
Energy: 9.350345290740064
Energy: 2.2196405419631304
Energy: 2.0036611883441657
Energy: 1.964262000931417
Energy: 2.003661188345554
Energy: 1.9857908887650488
Energy: 1.8909982463553727
Energy: 1.9969935197514819
Energy: 1.8909982463553727
Energy: 1.8801860695956454
Energy: 1.8726458228455218
Energy: 1.8803799791646392
Energy: 1.8726458228469098
Energy: 1.8934011102215904
Energy: 1.8882015542443094
Energy: 2.0413904180096845
Energy: 1.8882015542443094
Energy: 1.893855944389484
Energy: 1.8874447493719846
Energy: 2.0412968595583676
Energy: 1.8874447493719846
Energy: 1.8824324992479387
Energy: 1.8723670022450567
Energy: 2.166567390359849
Energy: 1.8723670022450567
Energy: 1.9869365654682738
Energy: 1.8819321735734653
Energy: 2.1516055573238315
Energy: 1.8819321735720769
Energy: 1.9870132445360442
Energy: 2.0052662958890717
Energy: 2.1516494403973456
Energy: 2.0052662958890717
Energy: 2.159078013434589
Energy: 2.2723891503025744
Energy: 2.280030060252555
Energy: 2.2723891503011866
Energy: 1.9876538895049751
Energy: 2.0067154822711952
Energy: 2.153799777058923
Energy: 2.0067154822656423
Energy: 9.24181859970808
Energy: 2.0016842533216956
Energy: 2.395072907241224
Energy: 2.0016842533216956
Energy: 9.246213167640038
Energy: 1.8731892171918758
Energy: 2.439415182864602
Energy: 1.8731892168976962
Energy: 1.963423782794788
Energy: 2.148808225652442
Energy: 1.9607542385307233
Energy: 2.148808225652442
Energy: 1.888712473830241
Energy: 1.8736148986024397
Energy: 1.895751846285742
Energy: 1.8736148986010512
Energy: 1.8819463513637018
Energy: 1.8867387423179467
Energy: 1.8921820880640638
Energy: 1.8867387423165587
Energy: 2.0418408969354767
Energy: 1.983830522713046
Energy: 2.039490191164441
Energy: 1.9838305227116573
Energy: 1.9964495354993461
Energy: 1.8812837599734147
Energy: 1.8956645244902426
Energy: 1.8812837599734147
Energy: 2.1666482802380447
Energy: 1.8743808721213817
Energy: 1.9017381531706137
Energy: 1.8743808721213817
Energy: 2.149256577050915
Energy: 2.006205587905196
Energy: 1.9880991045455705
Energy: 2.006205587906585
Energy: 2.273221907381709
Energy: 2.2754455589353126
Energy: 2.1584101218369476
Energy: 2.2754455589353126
Energy: 2.2785232940456295
Energy: 2.2573134410780478
Energy: 2.161032108931278
Energy: 2.2573134410780478
Energy: 2.1526054617981716
Energy: 2.0069148002942767
Energy: 1.9890096981342742
Energy: 2.0069148002915003
Energy: 2.4390695114793632
Energy: 1.8750238943556965
Energy: 9.2194780126855
Energy: 1.8750238942821515

minimum gb energy = 1.8723670022450567 eV
minimum distance =  2.46818488943994 Angstroms
sigma value = 17


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

Energy: 3.1886592627678385
Energy: 2.394654221884851
Energy: 9.243634701991013
Energy: 5.644186052683096
Energy: 2.028244778397487
Energy: 2.0532929120320094
Energy: 2.1911761782290835
Energy: 2.0532929120320094
Energy: 1.981208984414799
Energy: 1.9018864541062348
Energy: 2.3037778788334142
Energy: 1.901886454108809
Energy: 1.914684052629198
Energy: 1.9030813177907173
Energy: 2.304622163525178
Energy: 1.903081317787285
Energy: 1.9499922624033843
Energy: 1.9066166591329818
Energy: 2.078453746246145
Energy: 1.9066166591346982
Energy: 1.9541331848732852
Energy: 1.874956481693795
Energy: 2.039066449415311
Energy: 1.874956481691221
Energy: 1.9547281121202305
Energy: 1.8761869845978902
Energy: 1.9673320283297253
Energy: 1.8761869845978902
Energy: 2.0800930478939614
Energy: 1.9386676760158448
Energy: 1.9539209467571574
Energy: 1.938667676018419
Energy: 2.0802773449061593
Energy: 1.9041313663594097
Energy: 1.9448508775799018
Energy: 1.9041313663619837
Energy: 2.2213846917046247
Energy: 1.9039067996259142
Energy: 1.9120566193909687
Energy: 1.9039067996259142
Energy: 2.2781794218032343
Energy: 1.955895687387607
Energy: 1.9754459299987484
Energy: 1.9558956873893232
Energy: 7.412613037039723
Energy: 2.279842403569681
Energy: 2.290356105431397
Energy: 2.279842403569681
Energy: 7.206413630996271
Energy: 2.2817971421642724
Energy: 2.538630415293894
Energy: 2.28179714216513
Energy: 2.2154998994713657
Energy: 2.1898471213549313
Energy: 2.0065061677258846
Energy: 2.189847121356647
Energy: 2.313032872186831
Energy: 2.021510254598831
Energy: 4.7305352078598135
Energy: 2.021510254597973
Energy: 2.3411190531805772
Energy: 1.9376736569613282
Energy: 1.9359295512972532
Energy: 1.9376736569613282
Energy: 2.076596069861212
Energy: 2.062837477229038
Energy: 2.035524288825184
Energy: 2.062837477229896
Energy: 1.9049071434347504
Energy: 1.892997151333757
Energy: 2.0675885244302035
Energy: 1.8929971513328991
Energy: 1.9100401467300236
Energy: 1.8769869498148974
Energy: 2.052559381442612
Energy: 1.8769869498106073
Energy: 1.9645620997336357
Energy: 2.0880426097551594
Energy: 2.073404121636126
Energy: 2.0880426097560174
Energy: 1.9434017865060569
Energy: 1.8803960195985563
Energy: 2.1369194156686246
Energy: 1.8803960195994145
Energy: 1.9444515138043803
Energy: 1.878572248242906
Energy: 2.2303330838297994
Energy: 1.8785722482420482
Energy: 2.0472836641173426
Energy: 2.094186185303485
Energy: 2.082939608915972
Energy: 2.0941861853043426
Energy: 2.40572795861717
Energy: 2.254898591067153
Energy: 6.960511702008374
Energy: 2.2548985910654364
Energy: 2.208346585003121
Energy: 2.043125219074036
Energy: 2.107068771111689
Energy: 2.043125219075752
Energy: 2.0458211574920115
Energy: 2.0084093344141407
Energy: 1.996983238488809
Energy: 2.008409334413283
Energy: 8.923751166222635
Energy: 5.206578677439026
Energy: 2.5078281339939728
Energy: 5.103088073208101
Energy: 2.009790529751108
Energy: 1.9863764247107485
Energy: 2.060801323337779
Energy: 1.9863764247124645
Energy: 2.179179622049929
Energy: 1.8811560061510266
Energy: 2.0460260558171934
Energy: 1.8811560061518848
Energy: 2.136691107953519
Energy: 1.879471267745078
Energy: 1.8957881879167933
Energy: 1.8794712677433623
Energy: 2.067833754520601
Energy: 1.8832540635065167
Energy: 1.9008932862926877
Energy: 1.8832540635065167
Energy: 2.071616151391834
Energy: 1.8809329141403812
Energy: 1.9010866551344328
Energy: 1.8809329141403812
Energy: 2.0676133264737353
Energy: 1.8861014849644069
Energy: 1.9039167944309727
Energy: 1.8861014849644069
Energy: 2.065552491283626
Energy: 1.8744302762892806
Energy: 2.0822588027119826
Energy: 1.8744302762901388
Energy: 1.9868379845451027
Energy: 1.9551212430609703
Energy: 2.077886395695123
Energy: 1.9551212430618286
Energy: 7.1734666168165235
Energy: 2.021806825132317
Energy: 2.406339875550833
Energy: 2.0218068251340333
Energy: 1.9807956778515297
Energy: 1.9552219289177186
Energy: 2.1435125736220466
Energy: 1.9552219289168604
Energy: 2.059260482043045
Energy: 2.1080859888851364
Energy: 4.8569769152111535
Energy: 2.1080859888851364

minimum gb energy = 1.8744302762892806 eV
minimum distance =  2.44712159139346 Angstroms
sigma value = 89


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

Energy: 3.280620840020451
Energy: 1.8471892778713892
Energy: 7.811598971523391
Energy: 8.047459751561002
Energy: 2.0148316556188997
Energy: 1.9284856003480435
Energy: 1.9297905572104153
Energy: 1.9284856003480435
Energy: 8.03701133765203
Energy: 1.789509505243046
Energy: 1.9681794563608173
Energy: 1.7895095052408012
Energy: 7.905678861057396
Energy: 1.7909935325263568
Energy: 1.9673507961438017
Energy: 1.7909935325263568
Energy: 1.8052390058578884
Energy: 1.7910729548019955
Energy: 1.9922495661087951
Energy: 1.7910729548019955
Energy: 1.870283843948875
Energy: 1.7814777708072513
Energy: 1.9961852710069674
Energy: 1.7814777708072513
Energy: 1.8705876657306872
Energy: 1.7467700605594847
Energy: 1.8699550229825235
Energy: 1.7467700605594847
Energy: 1.9921750846997759
Energy: 1.88566946475455
Energy: 1.874984558716166
Energy: 1.88566946475455
Energy: 1.9912826531924497
Energy: 1.7918194263566982
Energy: 1.803442866135249
Energy: 1.7918194263566982
Energy: 2.1976788177247855
Energy: 1.7914715178760792
Energy: 1.8042136703093947
Energy: 1.7914715178760792
Energy: 2.0340720657390703
Energy: 1.7911085661355532
Energy: 1.9522685226679017
Energy: 1.7911085661355532
Energy: 1.9270434228174593
Energy: 1.927025254003974
Energy: 2.190582977437501
Energy: 1.927025254003974
Energy: 13.38042472605865
Energy: 2.21632663613615
Energy: 2.1902784858052327
Energy: 2.21632663613615
Energy: 1.9515284535408721
Energy: 1.9274156625284329
Energy: 1.9523093998374486
Energy: 1.9274156625284329
Energy: 2.4156880000656327
Energy: 1.790705525525094
Energy: 7.968167540086943
Energy: 1.790705525525094

minimum gb energy = 1.7467700605594847 eV
minimum distance =  2.48339258905204 Angstroms
sigma value = 13


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

Energy: 2.0674894175294147
Energy: 1.8042482445331436
Energy: 7.049571869753932
Energy: 7.262940834146473
Energy: 2.0148706868638655
Energy: 1.745398127936886
Energy: 1.9067738425373228
Energy: 1.745398127936886
Energy: 7.345005541253152
Energy: 1.7405431859560208
Energy: 2.0044248553716133
Energy: 1.7405431859560208
Energy: 7.205042386672806
Energy: 1.7409389241421147
Energy: 1.995311660613792
Energy: 1.7409389241430557
Energy: 1.8796068248437832
Energy: 1.7429122758217286
Energy: 1.9623978487057032
Energy: 1.7429122758217286
Energy: 1.8862947202638543
Energy: 1.654919418910565
Energy: 1.834976757586431
Energy: 1.654919418910565
Energy: 1.8896824994637862
Energy: 1.6534226984940688
Energy: 1.7724987359001672
Energy: 1.6534226984940688
Energy: 1.9056075714897043
Energy: 1.7833096596225808
Energy: 1.7595637426998203
Energy: 1.7833096596225808
Energy: 1.9046318910612112
Energy: 1.657294267209472
Energy: 1.7532285092722006
Energy: 1.6572942672104127
Energy: 1.8806113687020078
Energy: 1.6597569657643274
Energy: 1.75378661267489
Energy: 1.6597569657652684
Energy: 1.8838734929702874
Energy: 1.8051537233074448
Energy: 1.9681741995474986
Energy: 1.8051537233065038
Energy: 1.7725166109944914
Energy: 1.740880149930139
Energy: 1.9639871693384994
Energy: 1.740880149930139
Energy: 1.7748630712832385
Energy: 1.7428471817187514
Energy: 2.1862871047071852
Energy: 1.7428471817187514
Energy: 1.9212379496656502
Energy: 1.7432099965417287
Energy: 2.0292135936263946
Energy: 1.7432099965407877
Energy: 2.1831233813618036
Energy: 1.9053402476009813
Energy: 11.888980104058657
Energy: 1.9053402476019228
Energy: 2.1898098724790147
Energy: 1.7413798987783982
Energy: 6.628065970527369
Energy: 1.7413798987774571
Energy: 1.9200502747211499
Energy: 1.905925266160845
Energy: 1.9218517244616444
Energy: 1.905925266164609
Energy: 7.259817280166417
Energy: 7.755892654221644
Energy: 1.9935918037613507
Energy: 7.594428332082419
Energy: 7.009288423747146
Energy: 1.7441244583302158
Energy: 2.0158670126056486
Energy: 1.7441244583302158
Energy: 2.0247673958201404
Energy: 1.7422983038227826
Energy: 7.7697024699966635
Energy: 1.7422983038227826
Energy: 2.068408755003862
Energy: 1.741771078101843
Energy: 7.322869416794812
Energy: 1.741771078101843
Energy: 1.9631635831739065
Energy: 1.7411896197644336
Energy: 1.7808328918036762
Energy: 1.7411896197644336
Energy: 1.8375093003823342
Energy: 1.6557374298077707
Energy: 1.880817435117212
Energy: 1.6557374298077707
Energy: 1.7677981001329632
Energy: 1.6559894076481287
Energy: 1.757945400212506
Energy: 1.6559894076481287
Energy: 1.7546191918462486
Energy: 1.6618932123485648
Energy: 1.9059856620276527
Energy: 1.6618932123485648
Energy: 1.7517313951137996
Energy: 1.6579063625287311
Energy: 1.913588264755579
Energy: 1.65790636252779
Energy: 1.763347896911913
Energy: 1.6575479489250686
Energy: 1.8827833436817445
Energy: 1.6575479489241276
Energy: 1.9626742960092272
Energy: 1.6545074093538799
Energy: 1.879732064453987
Energy: 1.6545074093538799
Energy: 1.9640127367327418
Energy: 1.7417146176258531
Energy: 1.7750229077088409
Energy: 1.7417146176258531
Energy: 1.878650072714678
Energy: 1.741891951795295
Energy: 1.7793012067220795
Energy: 1.741891951795295
Energy: 2.025110946609275
Energy: 1.741886869825926
Energy: 1.919296438058136
Energy: 1.741886869824985
Energy: 1.904600781773108
Energy: 1.7401313451103773
Energy: 2.1887795034157533
Energy: 1.7401313451103773
Energy: 12.057427258228604
Energy: 2.13130519840157
Energy: 2.1832076659766306
Energy: 2.1313051984025115
Energy: 1.9215101048124008
Energy: 1.9067663536670378
Energy: 1.9220896653523503
Energy: 1.9067663536660968
Energy: 2.3743581344351212
Energy: 1.7421555590203055
Energy: 6.98823981740461
Energy: 1.742155559021247

minimum gb energy = 1.6534226984940688 eV
minimum distance =  2.50410249842294 Angstroms
sigma value = 37


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

Energy: 2.086827697103597
Energy: 1.7305990230738066
Energy: 6.171133806974078
Energy: 6.322534145693636
Energy: 1.6780420422720086
Energy: 1.6715824489856739
Energy: 1.7082740741822842
Energy: 1.6715824489856739
Energy: 6.471626675567775
Energy: 1.6709511963575099
Energy: 1.9139676691765721
Energy: 1.6709511963575099
Energy: 6.049269866998057
Energy: 1.6703770020316788
Energy: 1.9603501303773228
Energy: 1.6703770020332978
Energy: 1.782501181807155
Energy: 1.831182993815542
Energy: 1.7817198029881505
Energy: 1.831182993815542
Energy: 1.862518049286214
Energy: 1.563676369991023
Energy: 1.6829614307625294
Energy: 1.563676369991023
Energy: 1.7504350033160727
Energy: 1.5630249035145865
Energy: 1.6696075707669578
Energy: 1.5630249035145865
Energy: 1.8152598669170183
Energy: 1.7230740999964589
Energy: 1.6823528104672598
Energy: 1.7230740999964589
Energy: 1.7379291506176857
Energy: 1.5181297599210655
Energy: 1.6995776735229886
Energy: 1.5181297599210655
Energy: 1.7004170153192206
Energy: 1.5191214554661678
Energy: 1.701522173285948
Energy: 1.5191214554661678
Energy: 1.7144581246670598
Energy: 1.664616939806179
Energy: 1.81604686867336
Energy: 1.664616939806179
Energy: 1.6685159578734732
Energy: 1.5637156327872008
Energy: 1.826634233125751
Energy: 1.5637156327872008
Energy: 1.6691468762874895
Energy: 1.5636325999719
Energy: 1.862658835105616
Energy: 1.5636325999719
Energy: 1.7806207073916422
Energy: 1.7337718873329273
Energy: 1.853598451174694
Energy: 1.7337718873329273
Energy: 1.8593030263968824
Energy: 1.670032471611005
Energy: 1.701573539269423
Energy: 1.670032471611005
Energy: 1.8976041893671003
Energy: 1.6704692876982243
Energy: 1.7015908425221111
Energy: 1.6704692876982243
Energy: 1.781938504766697
Energy: 1.8324200554620602
Energy: 1.7016429794469152
Energy: 1.8324200554620602
Energy: 10.008911874280166
Energy: 2.014372780915059
Energy: 2.1191748545253257
Energy: 2.014372780916678
Energy: 6.412402936332434
Energy: 1.6704805948244024
Energy: 1.972945532146592
Energy: 1.6704805948244024
Energy: 1.7012446594931618
Energy: 1.6715875011822963
Energy: 1.7016354366979873
Energy: 1.6715875011822963

minimum gb energy = 1.5181297599210655 eV
minimum distance =  2.5069110887447 Angstroms
sigma value = 25


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

Energy: 2.052153509202482
Energy: 1.61757934774466
Energy: 11.556642424570665
Energy: 5.373874941224771
Energy: 1.5683069368290024
Energy: 1.7575509477196998
Energy: 1.596470853193322
Energy: 1.7575509477196998
Energy: 5.503764955609669
Energy: 1.5678775272416854
Energy: 1.8308425956551495
Energy: 1.567877527240421
Energy: 5.477933825022227
Energy: 1.5665321067091664
Energy: 1.7615245120155862
Energy: 1.5665321067091664
Energy: 1.7286141048845882
Energy: 1.7416190333312391
Energy: 1.6522062881313653
Energy: 1.7416190333312391
Energy: 1.7585240392837622
Energy: 1.4640140814401217
Energy: 1.5656960607790993
Energy: 1.4640140814388571
Energy: 1.761063120440495
Energy: 1.4636606831574872
Energy: 1.5661083261493631
Energy: 1.4636606831574872
Energy: 1.7002690907484193
Energy: 1.5905023999320027
Energy: 1.658753498493479
Energy: 1.590502399933267
Energy: 1.5677331046772547
Energy: 1.383313926710485
Energy: 1.6922847388973405
Energy: 1.383313926710485
Energy: 1.5694694403903022
Energy: 1.3811744469631644
Energy: 1.669338720591551
Energy: 1.3811744469631644
Energy: 1.5787233184505365
Energy: 1.6666891628117804
Energy: 1.6670162441145138
Energy: 1.6666891628105163
Energy: 1.5892170928000924
Energy: 1.3525876406444388
Energy: 1.5892431486876635
Energy: 1.3525876406431745
Energy: 1.637102697481372
Energy: 1.3520475156839753
Energy: 1.5896652711525632
Energy: 1.3520475156839753
Energy: 1.669213639980747
Energy: 1.3817439990078615
Energy: 1.5687958723974142
Energy: 1.3817439990078615
Energy: 1.6917295446323015
Energy: 1.3811256402884027
Energy: 1.5676805086791925
Energy: 1.3811256402871388
Energy: 1.6928851118822905
Energy: 1.385453001889893
Energy: 1.6331539986642165
Energy: 1.385453001889893
Energy: 1.6525082127952702
Energy: 1.4673199901669145
Energy: 1.7011779760308465
Energy: 1.4673199901681786
Energy: 1.5682635077975584
Energy: 1.4639827671559722
Energy: 1.6925170379581382
Energy: 1.4639827671559722
Energy: 1.6500738512694482
Energy: 1.4668965734863813
Energy: 1.837815723327364
Energy: 1.4668965734876458
Energy: 1.6503532869612607
Energy: 1.7574009218160433
Energy: 1.5926982708639166
Energy: 1.7574009218160433
Energy: 1.8266645543537818
Energy: 1.5670389769516715
Energy: 7.597965345915913
Energy: 1.5670389769516715
Energy: 1.652650879106495
Energy: 1.5671810256518965
Energy: 1.5915824328825383
Energy: 1.5671810256518965
Energy: 1.649942913563612
Energy: 1.7572833191940158
Energy: 1.9304779748738194
Energy: 1.7572833191940158
Energy: 8.55806803112926
Energy: 1.8420539082172636
Energy: 1.82788982876
Energy: 1.8420539082172636
Energy: 5.592250922868598
Energy: 1.6200254997415016
Energy: 1.5914356566528713
Energy: 1.6200254998324655
Energy: 1.8271911758463943
Energy: 1.567104606514141
Energy: 4.843168913214904
Energy: 1.5671046065166694

minimum gb energy = 1.3520475156839753 eV
minimum distance =  2.5207311421627 Angstroms
sigma value = 41


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

Energy: 1.9975485149254117
Energy: 1.51562687659069
Energy: 9.200325529974215
Energy: 4.786290308768072
Energy: 1.4741552180478397
Energy: 1.6325734738554318
Energy: 1.5644082251881704
Energy: 1.6325734738554318
Energy: 5.3153570658430205
Energy: 1.5213996657708522
Energy: 1.7373173412306864
Energy: 1.5213996657729252
Energy: 4.707763241378883
Energy: 1.4751589511346486
Energy: 1.7068288637731286
Energy: 1.4751589511356848
Energy: 1.6472074676368587
Energy: 1.5185022007757298
Energy: 1.4712567011130713
Energy: 1.518502200784021
Energy: 1.6442592434157337
Energy: 1.3857896365436084
Energy: 4.598403694826131
Energy: 1.3857896365446447
Energy: 1.705953816014505
Energy: 1.3857155129325138
Energy: 4.486758161983084
Energy: 1.3857155129325138
Energy: 1.5792256974919974
Energy: 1.7083023856742534
Energy: 1.6261736702188945
Energy: 1.708302385676326
Energy: 1.4631796341657957
Energy: 1.2993841077456263
Energy: 1.6116630419687223
Energy: 1.2993841077456263
Energy: 1.4621644617236214
Energy: 1.3027612157788757
Energy: 1.61171523638299
Energy: 1.3027612157778392
Energy: 1.5421474116185518
Energy: 1.249179457990311
Energy: 1.5999707529495644
Energy: 1.249179457988238
Energy: 1.5707773404263112
Energy: 1.246682252696431
Energy: 1.4859140811943063
Energy: 1.2466822526953947
Energy: 1.5659663487309505
Energy: 1.2481661875292356
Energy: 1.4807136150939946
Energy: 1.2481661875313084
Energy: 1.5593714554518254
Energy: 1.229252475759104
Energy: 1.486012432981242
Energy: 1.2292524757570313
Energy: 1.5181235217885047
Energy: 1.2283014208733598
Energy: 1.5189338156280001
Energy: 1.2283014208733598
Energy: 1.507904516787398
Energy: 1.2281556954143027
Energy: 1.5667215006408641
Energy: 1.2281556954153392
Energy: 1.4777816510521171
Energy: 1.2480904654952012
Energy: 1.5612073866714755
Energy: 1.2480904654941645
Energy: 1.4938311755427764
Energy: 1.2489493890881855
Energy: 1.5704988452298858
Energy: 1.2489493890902585
Energy: 1.5711066142824917
Energy: 1.2489585077630412
Energy: 1.5715808711741257
Energy: 1.248958507762005
Energy: 1.569096193280504
Energy: 1.3031882501010126
Energy: 1.5187705756517345
Energy: 1.3031882500989396
Energy: 1.662882840814541
Energy: 1.3053408373431181
Energy: 1.4631589267620826
Energy: 1.3053408373441542
Energy: 1.665219212372819
Energy: 1.3049435933090463
Energy: 1.5780409130530004
Energy: 1.3049435933080096
Energy: 1.4657187707106332
Energy: 1.3893137956149357
Energy: 1.5802520806667248
Energy: 1.3893137956138992
Energy: 1.4686323058499557
Energy: 1.385351578309449
Energy: 1.6621501454973027
Energy: 1.385351578309449
Energy: 1.538964330916277
Energy: 1.3852487177587658
Energy: 1.784756205590626
Energy: 1.3852487177587658
Energy: 1.739962386262772
Energy: 1.4744374538230522
Energy: 1.496649647308877
Energy: 1.474437453824089
Energy: 1.779638220184327
Energy: 1.4740142821525595
Energy: 7.556776884672521
Energy: 1.4740142821515227
Energy: 1.4707949648993541
Energy: 1.4994340151915264
Energy: 1.4937496597881446
Energy: 1.4994340151915264
Energy: 7.602213230184317
Energy: 1.4742988016668763
Energy: 1.7791882279884443
Energy: 1.4742988016679128
Energy: 7.45563338209742
Energy: 1.4744032980543735
Energy: 1.663417874481068
Energy: 1.4744032980564463
Energy: 1.5786460134987055
Energy: 1.6499463511618282
Energy: 1.493879547338129
Energy: 1.6499463511618282
Energy: 1.8558251917019952
Energy: 4.304344191471378
Energy: 9.71864404869515
Energy: 4.824258681738371

minimum gb energy = 1.2281556954143027 eV
minimum distance =  1.58329603196953 Angstroms
sigma value = 15


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

Energy: 1.8217838949156449
Energy: 1.425490430854943
Energy: 9.1098558075394
Energy: 4.996993144368702
Energy: 1.3935364760390123
Energy: 1.4311228996524998
Energy: 4.575368089978984
Energy: 1.4311228996551337
Energy: 4.382089700458233
Energy: 1.3783784866532187
Energy: 1.3746664279119911
Energy: 1.3783784866575288
Energy: 5.740307095888678
Energy: 1.3931226522663607
Energy: 1.664377499350093
Energy: 1.3931226522689948
Energy: 1.5048626033933348
Energy: 1.4492678362800713
Energy: 1.3862121525726068
Energy: 1.4492678362809495
Energy: 1.5740697138495272
Energy: 1.320540806730452
Energy: 5.166455548780005
Energy: 1.320540806730452
Energy: 1.5933539274147277
Energy: 1.3175586618350543
Energy: 4.757347332834163
Energy: 1.3175586618367308
Energy: 1.4795667522171683
Energy: 1.476834226168933
Energy: 1.593065373331957
Energy: 1.4768342261706886
Energy: 1.3744921878573837
Energy: 1.2387425200780504
Energy: 1.59370823165328
Energy: 1.2387425200771724
Energy: 1.3753780152165647
Energy: 1.2414107382121815
Energy: 1.5655588455053153
Energy: 1.2414107382148154
Energy: 1.518680813902005
Energy: 1.1844905737560865
Energy: 1.464268886234192
Energy: 1.1844905737552083
Energy: 1.5096851095852224
Energy: 1.1832803959158924
Energy: 1.3853113923470814
Energy: 1.1832803959150144
Energy: 1.4991293096573834
Energy: 1.1818167065295901
Energy: 1.3865507205728322
Energy: 1.181816706526956
Energy: 1.498597537030485
Energy: 1.1457425793052636
Energy: 1.4552641597318148
Energy: 1.1457425793070195
Energy: 1.414414445243252
Energy: 1.1464452131847251
Energy: 1.4822867560942452
Energy: 1.146445213182969
Energy: 1.424116345204989
Energy: 1.1446990152777095
Energy: 1.4753942955200618
Energy: 1.1446990152768317
Energy: 1.4405137388436366
Energy: 1.1323737232597808
Energy: 1.4835930055031126
Energy: 1.1323737232597808
Energy: 1.4470101895498486
Energy: 1.1337167373860653
Energy: 1.4476420429123245
Energy: 1.1337167373843093
Energy: 1.484252142095631
Energy: 1.1322662411207858
Energy: 1.4403136473774854
Energy: 1.1322662411225417
Energy: 1.4781619244816093
Energy: 1.1451260384365296
Energy: 1.4242257005488168
Energy: 1.1451260384365296
Energy: 1.4826591541423124
Energy: 1.146995829298506
Energy: 1.4163675415463712
Energy: 1.146995829297628
Energy: 1.4821948261585733
Energy: 1.1456439684464743
Energy: 1.4771203938388768
Energy: 1.1456439684455964
Energy: 1.3854677827196757
Energy: 1.1823830140894913
Energy: 1.4998680793857495
Energy: 1.1823830140868572
Energy: 1.3843774084597615
Energy: 1.182843722409353
Energy: 1.5538714235665307
Energy: 1.1828437224102313
Energy: 1.4633587354009094
Energy: 1.1845339635738212
Energy: 1.4775872148672013
Energy: 1.1845339635738212
Energy: 1.4626785195149141
Energy: 1.2443516751007508
Energy: 1.3754004007859264
Energy: 1.244351675101629
Energy: 1.5531660864810086
Energy: 1.2379433690881814
Energy: 1.3739126137803934
Energy: 1.2379433690873032
Energy: 1.5948596641335722
Energy: 1.2420302080145376
Energy: 1.4789161049166837
Energy: 1.2420302080136596
Energy: 1.3855457470917765
Energy: 1.3171755181619091
Energy: 1.6319607275070873
Energy: 1.317175518162787
Energy: 1.3853423592203915
Energy: 1.3182945924080887
Energy: 1.6326986319017167
Energy: 1.3182945924089666
Energy: 1.3907709050553767
Energy: 1.6884608186481762
Energy: 1.4787719625674376
Energy: 1.6884608186446644
Energy: 1.631885865516247
Energy: 1.3930160843367918
Energy: 5.909177365469698
Energy: 1.39301608433767
Energy: 1.5897460525273908
Energy: 1.3930402224742997
Energy: 5.942522629958321
Energy: 1.393040222473422
Energy: 1.385169056950304
Energy: 1.3820377673095339
Energy: 1.4159574437958202
Energy: 1.3820377673095339
Energy: 10.477001808269799
Energy: 1.584030116619301
Energy: 1.687779999969136
Energy: 1.584030116621057
Energy: 4.676549891421263
Energy: 1.3814473384384554
Energy: 1.3937240091890302
Energy: 1.3814473384375774
Energy: 1.605793566562338
Energy: 1.3965384935427059
Energy: 5.948419685156884
Energy: 1.3965384935418281

minimum gb energy = 1.1322662411207858 eV
minimum distance =  2.52710558357043 Angstroms
sigma value = 85


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

Energy: 1.7414362120055245
Energy: 1.3143319297253933
Energy: 6.927634977315923
Energy: 4.056947296522459
Energy: 1.2895780747036116
Energy: 1.2305372956125173
Energy: 4.344842438011564
Energy: 1.2305372956155631
Energy: 7.758563416936206
Energy: 1.229831376188445
Energy: 1.4347186629531266
Energy: 1.2298313761892063
Energy: 6.658986186963809
Energy: 3.559405334426525
Energy: 1.5234901371437404
Energy: 3.5684677129441957
Energy: 1.3928863804421274
Energy: 1.3528992713979142
Energy: 1.2860138918771966
Energy: 1.3528992713963912
Energy: 1.4131508972987743
Energy: 1.2292896675583183
Energy: 3.6704699439399397
Energy: 1.2292896675575569
Energy: 1.5226814728616958
Energy: 1.2273242725709468
Energy: 3.7605554015567475
Energy: 1.2273242725694236
Energy: 1.3234202689671162
Energy: 1.3539821962190954
Energy: 1.3510952503217508
Energy: 1.3539821962198568
Energy: 4.192863309838784
Energy: 1.158326461812973
Energy: 1.523077021964281
Energy: 1.1583264618122113
Energy: 1.274907883126044
Energy: 1.1601392112460376
Energy: 1.4118076860103674
Energy: 1.1601392112460376
Energy: 1.454033282482888
Energy: 1.1022887846854912
Energy: 1.353963182405916
Energy: 1.1022887846854912
Energy: 1.4696580059596194
Energy: 1.1021786899410184
Energy: 1.2762640104337328
Energy: 1.1021786899410184
Energy: 1.3531940048393558
Energy: 1.1039184920322336
Energy: 1.276324180169905
Energy: 1.1039184920329952
Energy: 1.3539266853779666
Energy: 1.064015795574162
Energy: 1.4055579888275773
Energy: 1.0640157955749237
Energy: 1.2962410256718797
Energy: 1.0648880306410493
Energy: 1.411824174731474
Energy: 1.0648880306410493
Energy: 1.2956454852575332
Energy: 1.0641732009543128
Energy: 1.3670342543415535
Energy: 1.064173200955074
Energy: 1.395172381870926
Energy: 1.0412938083938397
Energy: 1.3679355303922
Energy: 1.0412938083938397
Energy: 1.4053959673115397
Energy: 1.0431095569328026
Energy: 1.3291992355424354
Energy: 1.0431095569328026
Energy: 1.3861414744436067
Energy: 1.0416156514895951
Energy: 1.3490795667566027
Energy: 1.0416156514903567
Energy: 1.3915157196733414
Energy: 1.0341543903384285
Energy: 1.3647121330978664
Energy: 1.0341543903376669
Energy: 1.3732877468754974
Energy: 1.0345125532664177
Energy: 1.3730119233715175
Energy: 1.0345125532664177
Energy: 1.306944682255462
Energy: 1.0342363536545387
Energy: 1.3891124365406926
Energy: 1.0342363536545387
Energy: 1.3312678843025838
Energy: 1.0414468044615957
Energy: 1.4004049680805144
Energy: 1.0414468044623573
Energy: 1.3297380727396846
Energy: 1.0415390121927446
Energy: 1.4049801519650023
Energy: 1.0415390121927446
Energy: 1.4018838416508197
Energy: 1.0419637284679353
Energy: 1.3247195023416298
Energy: 1.0419637284679353
Energy: 1.367044621027754
Energy: 1.0658296530980087
Energy: 1.2974354004136632
Energy: 1.0658296530987703
Energy: 1.4410193750723275
Energy: 1.0647587265218315
Energy: 1.2970906076125104
Energy: 1.0647587265233545
Energy: 1.3618342970101394
Energy: 1.0621721235073847
Energy: 1.3535607393105937
Energy: 1.062172123506623
Energy: 1.2780338843374053
Energy: 1.1025221433036148
Energy: 1.5064968218662516
Energy: 1.1025221433028531
Energy: 1.2762167010242929
Energy: 1.1038083408423767
Energy: 1.5012818897139142
Energy: 1.1038083408423767
Energy: 1.354749904201076
Energy: 1.1612068089624559
Energy: 1.3273050550609706
Energy: 1.1612068089616943
Energy: 1.5084454344214517
Energy: 1.1580475319037609
Energy: 1.2762252926101545
Energy: 1.1580475319037609
Energy: 1.4889485376979377
Energy: 1.1587641099797676
Energy: 1.2748095828834416
Energy: 1.1587641099797676
Energy: 1.371783634057146
Energy: 1.3007467735896803
Energy: 1.3677578997325301
Energy: 1.3007467735904417
Energy: 5.907819639079256
Energy: 1.2278387495077476
Energy: 1.5005465354787677
Energy: 1.2278387495077476
Energy: 1.2857411679722326
Energy: 1.2272235735758228
Energy: 1.3259120169526677
Energy: 1.2272235735765844
Energy: 1.2756854459991953
Energy: 1.2815223089530556
Energy: 1.3238705142845986
Energy: 1.281522308953817
Energy: 1.5572816405996157
Energy: 1.2915133694686118
Energy: 4.895824558404054
Energy: 1.2915133694686118
Energy: 1.2857770393416166
Energy: 1.282400691023633
Energy: 6.051020302411205
Energy: 1.2824006911971828
Energy: 5.11869491029456
Energy: 1.2274943875198778
Energy: 1.324022190809651
Energy: 1.2274943875198778
Energy: 8.267950602459427
Energy: 1.2269359585589872
Energy: 1.5599558729381242
Energy: 1.226935958184508
Energy: 4.219039633602141
Energy: 1.3229202326280605
Energy: 1.443151755299989
Energy: 1.3229202326280605
Energy: 1.4379957375852865
Energy: 1.28654496905426
Energy: 7.571676478954749
Energy: 1.2865449690534987

minimum gb energy = 1.0341543903376669 eV
minimum distance =  2.53791555400427 Angstroms
sigma value = 113


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

Energy: 0.01961316434555162
Energy: 0.02025998133562132
Energy: 2.4292172022716083
Energy: 0.8668877937193865
Energy: 0.020168334147830362
Energy: 46.09315453583884
Energy: 28.124590513675454
Energy: 45.996421438939514
Energy: 28.053716453803766
Energy: 1.0428564630671981
Energy: 0.02035148203300187
Energy: 0.8601469459465083
Energy: 2.4269719595842774
Energy: 0.8664993457654883
Energy: 0.01983949324724463
Energy: 0.8125222265616505
Energy: 27.928164184100478
Energy: 45.9997710319124
Energy: 27.8412035704402
Energy: 46.138001067784074
Energy: 0.02035247766529159
Energy: 1.1944716200452896
Energy: 1.3456543715830251
Energy: 1.14915334593945

minimum gb energy = 0.01961316434555162 eV
minimum distance =  2.58307638138278 Angstroms
sigma value = 1