Model name: model_name=EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.498696342110634
cohesive_energy=4.116955210479424
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.49596689104324e-19, 3.75287446041624e-19, 4.40725146304086e-19, 4.910206751986139e-19, 5.25843984338604e-19, 5.48620527367548e-19, 5.63839603213914e-19, 5.746206497840999e-19, 5.828382137398859e-19, 5.89687518850236e-19, 5.959696534321499e-19, 6.023799621447839e-19, 6.09703511538798e-19, 6.1834405012596e-19, 6.27513307002342e-19, 6.35953573510254e-19, 6.429230418681539e-19, 6.4829674229859e-19, 6.52292570823786e-19, 6.5518289747152205e-19, 6.5720164003036205e-19, 6.58529844459948e-19, 6.59298889244268e-19, 6.595568396823419e-19, 6.59262039181686e-19, 6.5826228096207e-19, 6.56330055941466e-19, 6.532186289182379e-19, 6.4854988620676195e-19, 6.41376941416344e-19, 6.3044849459583e-19, 6.14612580745374e-19, 5.9265314779977e-19, 5.6267642297763e-19, 5.23043379582372e-19, 4.728664117587599e-19, 4.1052251457655196e-19, 3.3386156699292e-19, 2.47755788151858e-19, 1.5313972768397818e-19, 4.441249651214339e-20, -8.181771329782439e-20, -2.3021355618619195e-19, -4.0763379010544994e-19, -6.22875005646912e-19, -9.01126623850326e-19, -1.2910868035061219e-18, -1.8547117150510798e-18, -2.6922495504745797e-18, -3.9788134093429195e-18, -5.95155747702078e-18, -9.1170259181136e-18, -1.504338115668156e-17, -2.3234124675614397e-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: 0.020762154992708146
Energy: 1.2250270186738756
Energy: 1.0765676602907408
Energy: 1.4829591523966752
Energy: 1.1575609311263935
Energy: 0.4625295721909986
Energy: 0.02185698933764286
Energy: 0.09310936841805692
Energy: 1.142306371745193
Energy: 0.29517646562197947
Energy: 1.3000351639608492
Energy: 0.921965333260061
Energy: 0.02394486026295958
Energy: 0.085497421174735
Energy: 0.021051335480250954
Energy: 1.1403033114746444
Energy: 0.6082937087895001
Energy: 1.2985240028249132
Energy: 0.9212240790441673
Energy: 0.08713721088355977
Energy: 0.0860373269775266
Energy: 0.0237821032266171
Energy: 1.221870766801478
Energy: 1.0752134641468907
Energy: 1.450098627819501
Energy: 1.1479150491647956
Energy: 0.08764794033617936
Energy: 0.02270648224034437
Energy: 0.09262088368041457
Energy: 1.1405704688250298
Energy: 0.2956006910124309
Energy: 1.0541611635201222
Energy: 1.2196934830324664
Energy: 0.023947203562123945
Energy: 0.08558993251626064
Energy: 0.021404625495877044
Energy: 0.9922065635012206
Energy: 0.6079775663721695
Energy: 1.2992502150163034
Energy: 0.9202437868618636
Energy: 0.08859865502758
Energy: 0.08573573449377796

minimum gb energy = 0.020762154992708146 eV
minimum distance =  2.43119260326455 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.4530676038413222
Energy: 1.6307759331574598
Energy: 1.497517677671011
Energy: 1.6395981191863442
Energy: 1.6131957632894984
Energy: 1.3672869188615635
Energy: 1.421959252196839
Energy: 1.2381414939629836
Energy: 1.287947073143313
Energy: 1.3014102987840026
Energy: 1.3110044454050924
Energy: 1.2707911621659527
Energy: 1.2888790239495793
Energy: 1.4044379146086017
Energy: 1.6309331169341457
Energy: 1.243014633400194
Energy: 1.5837797714476858
Energy: 1.2153247125750068
Energy: 1.2583050099534123
Energy: 1.4323484989258244
Energy: 1.261214156742074
Energy: 1.2997917160935493
Energy: 1.4152709197438027
Energy: 1.30535348782247
Energy: 1.3784444774024829
Energy: 1.374125543870533
Energy: 1.2771255774242047
Energy: 1.297940815158363
Energy: 1.4727058748941249
Energy: 1.5605645335214453
Energy: 1.3514886459991746
Energy: 1.3142707720757827
Energy: 1.3906652991662725
Energy: 1.5227909208647337
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Energy: 1.4201716192164877
Energy: 1.3410308099569037
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Energy: 1.3250113365182024
Energy: 1.3641659456568989
Energy: 1.3362019959501055
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Energy: 1.391855758239928
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Energy: 1.3118123647199311
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Energy: 1.3382047370466457
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Energy: 1.38590381909712
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Energy: 1.2807265291471226
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Energy: 1.3348830099135847
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Energy: 1.4043321083911546
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Energy: 1.5085708672810112
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Energy: 1.2790738149666343
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Energy: 1.351525837325746
Energy: 1.4160824766542461
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Energy: 1.3783304246166714
Energy: 1.340768096407578
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Energy: 1.2615855632697286
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Energy: 1.2616816787552163
Energy: 1.5152146550486973
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Energy: 1.367100018122033
Energy: 1.2514275928776695
Energy: 1.3076617297781574
Energy: 1.3058520469828343
Energy: 1.2983869551842273
Energy: 1.2917658404879118
Energy: 1.4093824967220696
Energy: 1.4787573831337868
Energy: 1.416278810993702
Energy: 1.4706979165066278
Energy: 1.3941388755967032
Energy: 1.323144049521418
Energy: 1.4795073590634065
Energy: 1.3489977336138712
Energy: 1.2912804604696786
Energy: 1.3260598814988216
Energy: 1.276825847257302
Energy: 1.3392988972459632
Energy: 1.2818116331886598
Energy: 1.2996741843829298
Energy: 1.3078993765777136
Energy: 1.5714969529921508
Energy: 1.2253117948326113
Energy: 1.4396415015001154
Energy: 1.2853086716872089
Energy: 1.3694701057846284
Energy: 1.488828243528566
Energy: 1.263001119423288
Energy: 1.279564545271956
Energy: 1.2564971746582314
Energy: 1.360120435140743
Energy: 1.3191043850002895
Energy: 1.413857295145459
Energy: 1.3347785709047888
Energy: 1.3921718928737516
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Energy: 1.5012529265466277
Energy: 1.3925802209681666
Energy: 1.5212270265819632
Energy: 1.351648947357875
Energy: 1.322359772073763

minimum gb energy = 1.213927994549928 eV
minimum distance =  2.19897583855711 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4416327992339526
Energy: 1.5141713846910292
Energy: 1.4345218653997207
Energy: 1.3075942749437157
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Energy: 1.3258403857919596
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Energy: 1.2612937221016498
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Energy: 1.3562253230619636
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Energy: 1.4051979560901522
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Energy: 1.2836918363571206
Energy: 1.5448681419762178
Energy: 1.311626852583952
Energy: 1.4229580235429211
Energy: 1.406827977521085
Energy: 1.3116369366294263
Energy: 1.3455385227744496
Energy: 1.244162128940494
Energy: 1.3761005714865888
Energy: 1.349531209283747
Energy: 1.668913796797572
Energy: 1.3219991868364622
Energy: 1.2468864868196576
Energy: 1.2677253332684402
Energy: 1.244097502508722
Energy: 1.5271319969848827
Energy: 1.3316762074785558
Energy: 1.398409593170315
Energy: 1.3145756544488694
Energy: 1.3289289670920685
Energy: 1.5074954547945791
Energy: 1.5861653730716607
Energy: 1.4804153106772953
Energy: 1.3113123659527817
Energy: 1.3518498304547824
Energy: 1.3231372027486183
Energy: 1.364735518123769
Energy: 1.2832702999660723
Energy: 1.2744182055021929
Energy: 1.2687040764809105
Energy: 1.3428155701960833
Energy: 1.301741524096975
Energy: 1.2979708242520187
Energy: 1.305218234054212
Energy: 1.3869429293688398
Energy: 1.2549587988306234
Energy: 1.2856624931051779
Energy: 1.359915332717261
Energy: 1.2387235617542267
Energy: 1.3557466633250106
Energy: 1.436021406377127
Energy: 1.2767775280893983
Energy: 1.4551824272360179
Energy: 1.3704271640057504
Energy: 1.329105560556259
Energy: 1.2854827691484547
Energy: 1.3351734216965137
Energy: 1.3114185428792617
Energy: 1.4175188752859311
Energy: 1.3459873004886518
Energy: 1.4919039659823121
Energy: 1.310544972279437
Energy: 1.5436933032966134
Energy: 1.265907185832299
Energy: 1.2898386167775888
Energy: 1.3243192291228525
Energy: 1.342909013840282
Energy: 1.4263091037863314
Energy: 1.3465686455882773
Energy: 1.3287112643444847
Energy: 1.3287928349249771
Energy: 1.3573525388312089
Energy: 1.247629767069462
Energy: 1.3008379814312727
Energy: 1.3182114121662243
Energy: 1.3839860251112381
Energy: 1.5562738427770064
Energy: 1.3148593383874472
Energy: 1.3756096750732922
Energy: 1.3057978021888998
Energy: 1.2790087381933646
Energy: 1.3231073609121424
Energy: 1.6702937000454847
Energy: 1.3470707072486878
Energy: 1.376767628283451
Energy: 1.2347326895149777
Energy: 1.296780482064324
Energy: 1.2386707206435978
Energy: 1.356434765603608
Energy: 1.3595033641131664
Energy: 1.3551726551061558
Energy: 1.2834578435653465
Energy: 1.204446603794043
Energy: 1.2748353750401962
Energy: 1.2560449065707462
Energy: 1.4023843174178514
Energy: 1.2907615744309893
Energy: 1.368623580741047
Energy: 1.3010740297340755
Energy: 1.2876552948722446
Energy: 1.4317560971431733
Energy: 1.3431950077490695
Energy: 1.4448261151782587
Energy: 1.346153608705811
Energy: 1.31109058621728
Energy: 1.287219797001509
Energy: 1.361181918731192
Energy: 1.3286584241340385
Energy: 1.4374782597868165
Energy: 1.3210688830415376
Energy: 1.3436621600649983
Energy: 1.3184082000287052
Energy: 1.3329911142538102
Energy: 1.2261417011699294
Energy: 1.393484471732988
Energy: 1.3033565550054795
Energy: 1.2980018884478886
Energy: 1.2979585952471417

minimum gb energy = 1.204446603794043 eV
minimum distance =  2.21921889069949 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.3305948818626838
Energy: 1.2542794646733986
Energy: 1.359136539155725
Energy: 1.3409392652848071
Energy: 1.3357364180514941
Energy: 1.3281507337758751
Energy: 1.2836589462378034
Energy: 1.3772269076557262
Energy: 1.3572098096955854
Energy: 1.33895400155192
Energy: 1.3351678605941188
Energy: 1.4221416233666215
Energy: 1.3604529585688891
Energy: 1.3316303158733898
Energy: 1.3686586928824376
Energy: 1.2836393438948122
Energy: 1.4104031921758615
Energy: 1.2530028723786102
Energy: 1.3191765345535007
Energy: 1.4264449644897406
Energy: 1.3308652610016403
Energy: 1.2886938660431841
Energy: 1.32405411478532
Energy: 1.2579174579481212
Energy: 1.4836133799913693
Energy: 1.3131221219396916
Energy: 1.3211455436295976
Energy: 1.2992878748866723
Energy: 1.3177427831602406
Energy: 1.3444843633009478
Energy: 1.2853790890279593
Energy: 1.4784353489888393
Energy: 1.311540068885301
Energy: 1.2881360596918432
Energy: 1.4038858368731713
Energy: 1.3180596850286874
Energy: 1.3405336814403108
Energy: 1.3554105044856632
Energy: 1.3678232015611924
Energy: 1.3685247941957666
Energy: 1.3472715521925576
Energy: 1.2997405358640421
Energy: 1.2999115185780494
Energy: 1.3057234687140573
Energy: 1.3868767045655956
Energy: 1.29285289976889
Energy: 1.3022298145883455
Energy: 1.3678323256463973
Energy: 1.3537760265755145
Energy: 1.3556321320419031
Energy: 1.3625889486423017
Energy: 1.4242464482308426
Energy: 1.3653669225203537
Energy: 1.3840090170966497
Energy: 1.3874745010884568
Energy: 1.4054228525621628
Energy: 1.453800438219255
Energy: 1.2853326460159218
Energy: 1.3614352320375542
Energy: 1.2413262947023553
Energy: 1.2755367745358759
Energy: 1.4026123752327466
Energy: 1.272712929565238
Energy: 1.299539067140841
Energy: 1.3200742919135635
Energy: 1.2535354939559773
Energy: 1.4445339609451824
Energy: 1.4160768882918866
Energy: 1.3419338858002856
Energy: 1.3073540274131392
Energy: 1.2734975252295977
Energy: 1.3280982094054596
Energy: 1.3762423947952211
Energy: 1.4035046920641658
Energy: 1.3399047475502586
Energy: 1.3178686818082685
Energy: 1.3163591732783362
Energy: 1.309470704893255
Energy: 1.3466737611827744
Energy: 1.3432744698581063
Energy: 1.3979728250455552
Energy: 1.3300077690862158
Energy: 1.3361128063673917
Energy: 1.3789377348929723
Energy: 1.3869978277007706
Energy: 1.3034558909248932
Energy: 1.46293578249821
Energy: 1.3148660948312467
Energy: 1.326072015123856
Energy: 1.2985141575839558
Energy: 1.3657371981379434
Energy: 1.3951864622014296
Energy: 1.3613909114840608
Energy: 1.4473767003475644
Energy: 1.3931190450418387
Energy: 1.422473952422604
Energy: 1.4356094949001832
Energy: 1.4194327172359507
Energy: 1.3452929902350206
Energy: 1.2902185330609477
Energy: 1.3763833312647216
Energy: 1.2543417716717844
Energy: 1.2900666382564017
Energy: 1.4021600591046832
Energy: 1.2259624477502458
Energy: 1.2941318324165385
Energy: 1.3841760643454117
Energy: 1.2433907188702107
Energy: 1.3477212210699698
Energy: 1.3446367123218157
Energy: 1.3621632913504307
Energy: 1.3239211831857984
Energy: 1.4161593201484752
Energy: 1.3460500716638797
Energy: 1.3412491339883
Energy: 1.3080051560495147
Energy: 1.3167987237261725
Energy: 1.511648405785316
Energy: 1.3362409405504243
Energy: 1.2556091954977995
Energy: 1.3440351746836714
Energy: 1.3014207410503775
Energy: 1.334067495796474
Energy: 1.3181643740775322
Energy: 1.3149824901743297
Energy: 1.28944306208447
Energy: 1.3824268975295324
Energy: 1.247322422489994
Energy: 1.3167564112066095
Energy: 1.304652399893275
Energy: 1.2752283459470417
Energy: 1.311371481555439
Energy: 1.3331659009517975
Energy: 1.4122926109073075
Energy: 1.3676223252784911
Energy: 1.3872273873804555
Energy: 1.509054413975797
Energy: 1.4051359320670302
Energy: 1.4412020298508306
Energy: 1.3883172764729255
Energy: 1.3462721521210508
Energy: 1.2601226962642769
Energy: 1.329563783271588
Energy: 1.245476253229594
Energy: 1.2703917612933389
Energy: 1.2862771357670995
Energy: 1.2802003972220721
Energy: 1.289140533289522
Energy: 1.4060314570415409
Energy: 1.3412641582717828
Energy: 1.3956397804207645
Energy: 1.3382178824262991
Energy: 1.3135107647930986
Energy: 1.3764403612259288
Energy: 1.413601261429702
Energy: 1.4723702901935034
Energy: 1.4293171286572586
Energy: 1.462106184087948
Energy: 1.3392839198840016
Energy: 1.361782744742081
Energy: 1.4000317684604813
Energy: 1.3370035967329754
Energy: 1.3642082088887195
Energy: 1.3386564019459357
Energy: 1.3692846576629247
Energy: 1.352909965254957
Energy: 1.3779750570817852
Energy: 1.3668329770222163
Energy: 1.3652344269972418
Energy: 1.3269758374358245
Energy: 1.3724486581843667
Energy: 1.2764547268163928
Energy: 1.2686435890142407
Energy: 1.3876845708915022
Energy: 1.3201298966099517
Energy: 1.4648927131015577
Energy: 1.30588854800804
Energy: 1.416214167866842
Energy: 1.454302904288989
Energy: 1.4169925971662984
Energy: 1.405476295349485
Energy: 1.426192784961456
Energy: 1.3237926251547916
Energy: 1.2780104983902312
Energy: 1.3046748204855974
Energy: 1.2741758040085356
Energy: 1.2589267320315867
Energy: 1.3492381824471278
Energy: 1.2926632649343641
Energy: 1.341327046961824
Energy: 1.350187931412999
Energy: 1.3575549493548114
Energy: 1.3744499131915453
Energy: 1.3697296001263588
Energy: 1.304392577080669
Energy: 1.3610196840363156
Energy: 1.370901486678791
Energy: 1.4711865065954224
Energy: 1.346890119709705
Energy: 1.4630981532256322
Energy: 1.391923309390325
Energy: 1.3038284881032987
Energy: 1.3121598823524339
Energy: 1.3311111850785504
Energy: 1.3753316873189994
Energy: 1.2943347835824683
Energy: 1.3638741825544065
Energy: 1.3897257833630516
Energy: 1.3336684318954475
Energy: 1.3969616370108278
Energy: 1.2534848191225905
Energy: 1.3191194525966097
Energy: 1.4501036050119922
Energy: 1.2323873158100893
Energy: 1.2538858654091365
Energy: 1.3243394425805246
Energy: 1.2357728999617847
Energy: 1.371574241247405
Energy: 1.3331245728960377
Energy: 1.4711088804460293
Energy: 1.4529774653878942
Energy: 1.4211760435925564
Energy: 1.3688731996532641
Energy: 1.437889593105743
Energy: 1.2483671456440415
Energy: 1.267167847566627
Energy: 1.375839586548877
Energy: 1.2670072946001227
Energy: 1.264169078622106
Energy: 1.3225765992298224
Energy: 1.2495095450044704
Energy: 1.3705800022541261
Energy: 1.3254324227613523
Energy: 1.322520938946008
Energy: 1.3267243393072747
Energy: 1.3148016549483867
Energy: 1.3423613016788873
Energy: 1.3370210321672402
Energy: 1.3606336498964116
Energy: 1.490775588344389
Energy: 1.3887121518467305
Energy: 1.5016856736312436
Energy: 1.380265552624115
Energy: 1.3059142157535142
Energy: 1.310992702188373
Energy: 1.346379251866987
Energy: 1.333540721936999
Energy: 1.3083482936078434
Energy: 1.4174138471438034
Energy: 1.3173065159260455
Energy: 1.385823858471557
Energy: 1.2810949643444847

minimum gb energy = 1.2259624477502458 eV
minimum distance =  2.1681248550524 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.3417848891438102
Energy: 1.4774689302116664
Energy: 1.730841825179079
Energy: 1.5601194296895733
Energy: 1.3285840679789473
Energy: 1.3494322094053128
Energy: 1.2370241668018076
Energy: 1.2944924689633037
Energy: 1.2914515678601377
Energy: 1.336002638804268
Energy: 1.290942547795491
Energy: 1.2466902920525975
Energy: 1.326850295051273
Energy: 1.4068249808805164
Energy: 1.312627818180515
Energy: 1.2516475262732063
Energy: 1.2463740814884015
Energy: 1.3079651221812727
Energy: 1.2457112711258949
Energy: 1.4011570477350608
Energy: 1.3877568705238088
Energy: 1.2628992187380126
Energy: 1.2875689770562473
Energy: 1.3667174565840914
Energy: 1.3317751540580152
Energy: 1.3344282996791956
Energy: 1.3951467846553351
Energy: 1.4924666429291642
Energy: 1.2046147898344803
Energy: 1.2090788897758187
Energy: 1.416345939009838
Energy: 1.3007313059963146
Energy: 1.3223458233435625
Energy: 1.3507110623537433
Energy: 1.246991705450164
Energy: 1.201789986083106
Energy: 1.2462072106990147
Energy: 1.29719024620731
Energy: 1.3610942466385803
Energy: 1.3813152993806224
Energy: 1.4507863802174823
Energy: 1.381459652070485
Energy: 1.2886718914212623
Energy: 1.3128713193782566
Energy: 1.2480283992851593
Energy: 1.3632231194114062
Energy: 1.29118402438704
Energy: 1.2278358481558915
Energy: 1.4075143196503916
Energy: 1.1261740858270861
Energy: 1.2884275559353997
Energy: 1.392965646936627
Energy: 1.346170121223457
Energy: 1.4224322190473886
Energy: 1.4061540427814332
Energy: 1.3465452406071814
Energy: 1.1263702297263951
Energy: 1.2844901148855186
Energy: 1.4254687571248348
Energy: 1.2941211954449765
Energy: 1.2798496142934865
Energy: 1.428302115432973
Energy: 1.344306144737206
Energy: 1.2818280093409082
Energy: 1.2865448793318728
Energy: 1.3753276507376972
Energy: 1.3236255075873298
Energy: 1.274482997499342
Energy: 1.380997692104901
Energy: 1.4018985138927313
Energy: 1.2551697055594329
Energy: 1.2837105509064175
Energy: 1.4141723516240794
Energy: 1.3074346487711825
Energy: 1.280955992179885
Energy: 1.345856943993736
Energy: 1.3216112770602497
Energy: 1.2352395502479079
Energy: 1.2384410214272241
Energy: 1.5099525110994125
Energy: 1.2676176249506597
Energy: 1.297456017120944
Energy: 1.3460727974677877
Energy: 1.3459054743778522
Energy: 1.1851100365350817
Energy: 1.2791959584306556
Energy: 1.3854912398655137
Energy: 1.3199402127693023
Energy: 1.3937906397751514
Energy: 1.4083969472674533
Energy: 1.3312672112212407
Energy: 1.3925798253264174
Energy: 1.2778804897449176
Energy: 1.2589754000684727
Energy: 1.369290866942699
Energy: 1.3079915554601522
Energy: 1.2312863396445566
Energy: 1.4188923999832754
Energy: 1.1249108827766015
Energy: 1.2378497651760931
Energy: 1.255500792676828
Energy: 1.3074540100447163
Energy: 1.2114301855191911
Energy: 1.2474889669369733
Energy: 1.3700749444227693
Energy: 1.249353818983451
Energy: 1.2883737684032515
Energy: 1.534827961519697
Energy: 1.365301266110059
Energy: 1.3730382587575558
Energy: 1.4244369328461535
Energy: 1.1947223192453573
Energy: 1.2678456027077074
Energy: 1.243626507421195
Energy: 1.3321944240795869
Energy: 1.306882638268621
Energy: 1.257560560836468
Energy: 1.3680802896965365
Energy: 1.3677325197679462
Energy: 1.2842219981468552
Energy: 1.267185146483182
Energy: 1.2453345590186693
Energy: 1.3075882830213792
Energy: 1.269205491670938
Energy: 1.3533246110394035
Energy: 1.4879012442778485
Energy: 1.2592835586568525
Energy: 1.2521577685085117
Energy: 1.357408874945879
Energy: 1.32422522573744
Energy: 1.3341208118677277
Energy: 1.4173839904725878
Energy: 1.5241179622680197
Energy: 1.2298736125777012
Energy: 1.2345375754568728
Energy: 1.4182196102380251
Energy: 1.307708434062922
Energy: 1.3228613714719195
Energy: 1.4987818819598244
Energy: 1.2736737184278768
Energy: 1.2027394671430438
Energy: 1.2625484911758722
Energy: 1.2879179767604336
Energy: 1.3587035928108806
Energy: 1.382202057311203
Energy: 1.217513367888567
Energy: 1.368978615621751
Energy: 1.2903827058818398
Energy: 1.2893796699092854
Energy: 1.2486991450873013
Energy: 1.3627731783954642
Energy: 1.296809543474851
Energy: 1.2184412520153671
Energy: 1.3776363845844726
Energy: 1.1327895382527111
Energy: 1.2903429944498719
Energy: 1.3641109807450096
Energy: 1.3503099573208013
Energy: 1.4366906789468556
Energy: 1.413581317460334
Energy: 1.276895442498582
Energy: 1.127120493208605
Energy: 1.2893518901403622
Energy: 1.464608399375188
Energy: 1.2961079058869907
Energy: 1.2833238635588726
Energy: 1.4245608671678933
Energy: 1.3488579720120688
Energy: 1.2831134982931727
Energy: 1.3165728504995828
Energy: 1.3748645582811958
Energy: 1.3232394618680483
Energy: 1.2878781305629914
Energy: 1.3481909970213848
Energy: 1.3844309965393014
Energy: 1.2549193624418473
Energy: 1.2785972612998062
Energy: 1.3740621993289865
Energy: 1.3071631667124044
Energy: 1.2675292030575724
Energy: 1.309024395004245
Energy: 1.394094948413157
Energy: 1.2464755461880535
Energy: 1.2119640469953268
Energy: 1.2675142820070757
Energy: 1.2629124682546589
Energy: 1.2977971353193023
Energy: 1.3441586982873026
Energy: 1.3761279330368599
Energy: 1.1867676347992329
Energy: 1.2450325374318703
Energy: 1.4384703729425152
Energy: 1.3674431809623313
Energy: 1.3932944832698646
Energy: 1.4078931684142129
Energy: 1.3208407716795714
Energy: 1.4179490046944074
Energy: 1.2352194280086373
Energy: 1.2657748802192887
Energy: 1.3327008382688492
Energy: 1.2241243488383462
Energy: 1.2800666655585693
Energy: 1.4125619300191428
Energy: 1.181522155100436
Energy: 1.3396232894442306
Energy: 1.2523289856166164
Energy: 1.4798419352946992
Energy: 1.1990583968053403
Energy: 1.200370126346043
Energy: 1.4063392087204858

minimum gb energy = 1.1249108827766015 eV
minimum distance =  2.16511672597409 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6306898373822676
Energy: 1.7064336034891312
Energy: 1.4231509447257897
Energy: 1.2661824629183749
Energy: 1.3860582457482378
Energy: 1.331175390036676
Energy: 1.5962381889597759
Energy: 1.3956991405994499
Energy: 1.4229919079620508
Energy: 1.474154120171151
Energy: 1.4865386971431593
Energy: 1.568458656833331
Energy: 1.4335755771754057
Energy: 1.4660956448408031
Energy: 1.3354612184594905
Energy: 1.313550631280721
Energy: 1.2683377966152163
Energy: 1.5691220347427783
Energy: 1.5457288062076195
Energy: 1.6009073416258202
Energy: 1.5286294226414698
Energy: 1.5563137549518833
Energy: 1.4955507160233574
Energy: 1.3644969336190387
Energy: 1.245864425829885
Energy: 1.244496961805095
Energy: 1.3960589327741297
Energy: 1.4507014338933748
Energy: 1.2154400248139658
Energy: 1.4187068385032833
Energy: 1.2588117391737232
Energy: 1.2534070348627604
Energy: 1.272499322975932
Energy: 1.2569796564961735
Energy: 1.2614299349275924
Energy: 1.203081721823441
Energy: 1.1968183299588824
Energy: 1.343828261969867
Energy: 1.3000725973452039
Energy: 1.2632424364016623
Energy: 1.2792379915670518
Energy: 1.2765856720064146
Energy: 1.2539373897788528
Energy: 1.2769460900120064
Energy: 1.3469560032543648
Energy: 1.3168494760396572
Energy: 1.1890429390152226
Energy: 1.186738151565893
Energy: 1.3288472601627193
Energy: 1.253721406632707
Energy: 1.2369452779496015
Energy: 1.2105610061671446
Energy: 1.4018580550188273
Energy: 1.5061570877890889
Energy: 1.224883818132441
Energy: 1.327952581023591
Energy: 1.2712136513474694
Energy: 1.3058202164042685
Energy: 1.5300538285102718
Energy: 1.4853589400961578
Energy: 1.4977778880671395
Energy: 1.4131573508613695
Energy: 1.2989428846627766
Energy: 1.3473955007057883
Energy: 1.5993643835115872
Energy: 1.2768929486729643
Energy: 1.2258578839251675
Energy: 1.284230510472599
Energy: 1.2750250955447875
Energy: 1.4928818427519122
Energy: 1.3960199763772505
Energy: 1.5008996220526822
Energy: 1.3147293652242684
Energy: 1.4367325871773
Energy: 1.4711861792524805
Energy: 1.223707535064242
Energy: 1.424284293612343
Energy: 1.3388183273627956
Energy: 1.2772118052965886
Energy: 1.4751798921999602
Energy: 1.8228731527195288
Energy: 1.4719947308851493
Energy: 1.4883161338241349
Energy: 1.4771511462078457
Energy: 1.5124938676672621
Energy: 1.4107801804092017
Energy: 1.4551441470272566
Energy: 1.458444550668884
Energy: 1.5242692781033438
Energy: 1.2553264709574794
Energy: 1.4042146586850452
Energy: 1.244662807310622
Energy: 1.4214799678118193
Energy: 1.2990269190971953
Energy: 1.4263792172261547
Energy: 1.3467705465283935
Energy: 1.2543723905927926
Energy: 1.4438836390627565
Energy: 1.3660607251748809
Energy: 1.2347048753327063
Energy: 1.4718086688262884
Energy: 1.5928655342531597
Energy: 1.5487929284793625
Energy: 1.625627466678934
Energy: 1.4366998962578796
Energy: 1.60129242323096
Energy: 1.4230677995309946
Energy: 1.3005310115415911
Energy: 1.2865761746692097
Energy: 1.3893684501851062
Energy: 1.2148494174098186
Energy: 1.3066174280225598
Energy: 1.2223675410583668
Energy: 1.4064217561850665
Energy: 1.2558047920925848
Energy: 1.2427016282550625
Energy: 1.2129554413054664
Energy: 1.2579737112352043
Energy: 1.2641836735833138
Energy: 1.2030288486874097
Energy: 1.2004012533157629
Energy: 1.2806091460644966
Energy: 1.2730492592243063
Energy: 1.2871660289702875
Energy: 1.2236754876858795
Energy: 1.2637701579507707
Energy: 1.2020167144069007
Energy: 1.2551561937553888
Energy: 1.363307529752354
Energy: 1.2532515888847717
Energy: 1.251872734861741
Energy: 1.2058961291532468
Energy: 1.2236186324004195
Energy: 1.3920860643942585
Energy: 1.237890951047677
Energy: 1.288038932826582
Energy: 1.382937268656684
Energy: 1.3120359172113927
Energy: 1.2204384237233152
Energy: 1.2556968382331262
Energy: 1.3443399697119942
Energy: 1.2340250007941644
Energy: 1.2600155990477109
Energy: 1.4509164844468967
Energy: 1.4702497094547515
Energy: 1.4452979217224753
Energy: 1.2765396579792911
Energy: 1.3524332928650364
Energy: 1.4161801696228487
Energy: 1.2819121585259723
Energy: 1.2880727165037311
Energy: 1.2836665699654535
Energy: 1.2842122592336815
Energy: 1.449214848392056
Energy: 1.5144377748718665
Energy: 1.514793740588215
Energy: 1.6026059899823926
Energy: 1.299304128005097
Energy: 1.3161360660828503
Energy: 1.415355717930954
Energy: 1.5635147544557422
Energy: 1.3350949200147728
Energy: 1.2339307971700009
Energy: 1.4504237331269856
Energy: 1.588787570915612
Energy: 1.603203952837838
Energy: 1.460595211837533
Energy: 1.4348382724217499
Energy: 1.2369013703475293
Energy: 1.4501995405519466
Energy: 1.4356711865741192
Energy: 1.427906302884755
Energy: 1.339498931253082
Energy: 1.4353068358470318
Energy: 1.4667064587266443

minimum gb energy = 1.186738151565893 eV
minimum distance =  2.13490026363332 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.5687242855100914
Energy: 1.799834351887537
Energy: 1.657913734055426
Energy: 1.6105145404803483
Energy: 1.6343771106509424
Energy: 1.5286481142417307
Energy: 1.8313163852032752
Energy: 1.5545789679791975
Energy: 1.5777771558837974
Energy: 1.4927832551182827
Energy: 1.5199642233479418
Energy: 1.5798545200736527
Energy: 1.5288912257820642
Energy: 1.4918901402207294
Energy: 1.4609237983517804
Energy: 1.5646085738251125
Energy: 1.5008053688879357
Energy: 1.5742133957452742
Energy: 1.5783052535057083
Energy: 1.5837190312913536
Energy: 1.5996862947583437
Energy: 1.5024529091518395
Energy: 1.507368379108981
Energy: 1.5682036510309838
Energy: 1.6011750377348286
Energy: 1.565228562968286
Energy: 1.5563154706839197
Energy: 1.5388326638085463
Energy: 1.3324134592833976
Energy: 1.5207591340206603
Energy: 1.2833050800643644
Energy: 1.4486133278404152
Energy: 1.4419589275620979
Energy: 1.56521912595705
Energy: 1.5094429502494868
Energy: 1.3808195736725046
Energy: 1.4453789277563955
Energy: 1.3177233650824545
Energy: 1.3977200235972613
Energy: 1.450016885118084
Energy: 1.4302367367681235
Energy: 1.4817153652710673
Energy: 1.382332538833954
Energy: 1.434017887149134
Energy: 1.4058991058750157
Energy: 1.3826898191157864
Energy: 1.556147312017132
Energy: 1.3942108513925247
Energy: 1.4302329265328935
Energy: 1.5194957294250466
Energy: 1.3280444950424428
Energy: 1.3820811773753277
Energy: 1.5429248605379777
Energy: 1.4775461081930608
Energy: 1.323706752396139
Energy: 1.3365855707859653
Energy: 1.2600014851380206
Energy: 1.3085411454126765
Energy: 1.373732168617183
Energy: 1.2848733571551703
Energy: 1.458483294456305
Energy: 1.4332818897967905
Energy: 1.3819648445747166
Energy: 1.3950902720109377
Energy: 1.422403255124485
Energy: 1.2881315601294172
Energy: 1.283298471461867
Energy: 1.3211053875465761
Energy: 1.3307769156987104
Energy: 1.3905850795049548
Energy: 1.3788163333380266
Energy: 1.362195121670618
Energy: 1.30929503226981
Energy: 1.3422852327352857
Energy: 1.3405354751591592
Energy: 1.4371752915221372
Energy: 1.3824077047963266
Energy: 1.2733457786031126
Energy: 1.3056656412277423
Energy: 1.5163346177071804
Energy: 1.4847601625770912
Energy: 1.4786328201444159
Energy: 1.4850681505153192
Energy: 1.3037710270165668
Energy: 1.4939391457955589
Energy: 1.3234286228152774
Energy: 1.3871827707931217
Energy: 1.5170028374069822
Energy: 1.518643669449763
Energy: 1.3430995466310967
Energy: 1.3059791609818807
Energy: 1.4729160636703509
Energy: 1.4441706857562207
Energy: 1.518583738701456
Energy: 1.341917904535727
Energy: 1.3218805902738409
Energy: 1.4779168447462077
Energy: 1.4030881058892075
Energy: 1.3124351015718738
Energy: 1.370425391319274
Energy: 1.4075677210926847
Energy: 1.3910779037295065
Energy: 1.403403381065522
Energy: 1.3916708208495034
Energy: 1.5005052043790401
Energy: 1.3125913044211577
Energy: 1.4623554736249182
Energy: 1.437139728385414
Energy: 1.4556354361659538
Energy: 1.5285581869340272
Energy: 1.3645203052531347
Energy: 1.4492014091256735
Energy: 1.387251119009985
Energy: 1.4795100181763763
Energy: 1.4820292295528659
Energy: 1.5558904763162271
Energy: 1.523400507247366
Energy: 1.5235283062729723
Energy: 1.4758352027436774
Energy: 1.4555770494087699
Energy: 1.507152822824099
Energy: 1.4361013835821717
Energy: 1.5327451494527886
Energy: 1.4732213748693999
Energy: 1.5336436646199578
Energy: 1.4963478832825612
Energy: 1.446000163611761
Energy: 1.5226996392865868
Energy: 1.4690343064699694
Energy: 1.467691895071967
Energy: 1.5336450898850607
Energy: 1.5321713404409196
Energy: 1.5053733879448623
Energy: 1.469060589657541
Energy: 1.680391513227726
Energy: 1.562414536859548
Energy: 1.5702169363090641
Energy: 1.6241599885164943
Energy: 1.5532095016978262
Energy: 1.7113374536741328
Energy: 1.4482797023512228
Energy: 1.4756662363120996
Energy: 1.5063737605912766
Energy: 1.5740056511687006
Energy: 1.6022938578725732
Energy: 1.506331245908993
Energy: 1.5443208387561154
Energy: 1.5644574592414358
Energy: 1.534401538889209
Energy: 1.5474990905302584
Energy: 1.6823065729010909
Energy: 1.5942729263754263
Energy: 1.5230795835237132
Energy: 1.4760316730872596
Energy: 1.5180101477043828
Energy: 1.7659734457918181
Energy: 1.5571433611948908
Energy: 1.6729139367170809
Energy: 1.5615759373652238
Energy: 1.5654960314495838
Energy: 1.7683642967421194
Energy: 1.5394314598776229
Energy: 1.5112001559297916
Energy: 1.300045707745279
Energy: 1.5978860874879675
Energy: 1.6829735605132243
Energy: 1.4727483068073002
Energy: 1.5490793090081214
Energy: 1.4922132273038469
Energy: 1.5227856066509278
Energy: 1.4785566636237102
Energy: 1.6197579106511748
Energy: 1.5538496181066406
Energy: 1.497893166515994
Energy: 1.5262755297678852
Energy: 1.4420678303730787
Energy: 1.5548057013776133
Energy: 1.5367072614166462
Energy: 1.5879660126734338
Energy: 1.5586572423813725
Energy: 1.56019294919408
Energy: 1.5548060323165325
Energy: 1.2647251755191067
Energy: 1.4762239709420548
Energy: 1.3281642562254512
Energy: 1.4118201714642116
Energy: 1.4316956757498638
Energy: 1.5487539181337087
Energy: 1.5054138956042329
Energy: 1.379773549913463
Energy: 1.471518302758657
Energy: 1.2889157437836951
Energy: 1.3908815747096743
Energy: 1.4241258935361667
Energy: 1.482217049842023
Energy: 1.4864829624418237
Energy: 1.3961956287279467
Energy: 1.4444030690233032
Energy: 1.412211187665585
Energy: 1.4281677253489717
Energy: 1.5388270291413455
Energy: 1.4334540010916301
Energy: 1.463856059380976
Energy: 1.454650525883455
Energy: 1.3380225331344184
Energy: 1.3820312084970676
Energy: 1.6112112377789904
Energy: 1.5876354735940852
Energy: 1.3660965044601547
Energy: 1.3455644083257927
Energy: 1.254706358053279
Energy: 1.3177327394388403
Energy: 1.4027341324575087
Energy: 1.4087316325413228
Energy: 1.5092105076437858
Energy: 1.5092496968942721
Energy: 1.3904860877178686
Energy: 1.3554471638775483
Energy: 1.421409015358179
Energy: 1.337660289575728
Energy: 1.2793091392952343
Energy: 1.266749836881839
Energy: 1.298482396407165
Energy: 1.4319955412303986
Energy: 1.3480804596677338
Energy: 1.3672447909268053
Energy: 1.3151806775012673
Energy: 1.3428513331240994
Energy: 1.4197852481290811
Energy: 1.3401282785576878
Energy: 1.3989723247757282
Energy: 1.2594331800817316
Energy: 1.3185125079891866
Energy: 1.4913275093672613
Energy: 1.3969095760965822
Energy: 1.5020431218354104
Energy: 1.446285828817324
Energy: 1.3292160129436397
Energy: 1.5301314149129404
Energy: 1.3154430907344823
Energy: 1.3777307025641
Energy: 1.5261566905342006
Energy: 1.552659558128116
Energy: 1.3392529538561126
Energy: 1.3043430607943638
Energy: 1.4401530650086896
Energy: 1.4172732038944214
Energy: 1.3331126349775058
Energy: 1.3448748948378766
Energy: 1.4667729015947695
Energy: 1.483080069724709
Energy: 1.4091717126579328
Energy: 1.3123818101947484
Energy: 1.423159088062274
Energy: 1.2950694288199673
Energy: 1.2677945848771404
Energy: 1.3506619690980526
Energy: 1.3983972020100197
Energy: 1.4429714342804376
Energy: 1.2868905114454643
Energy: 1.42319332820899
Energy: 1.3378868611962214
Energy: 1.4096087602518668
Energy: 1.548985425421057
Energy: 1.3685084018011944
Energy: 1.4381842000801945
Energy: 1.3770700383058108
Energy: 1.4840048351486665
Energy: 1.4920797704554705
Energy: 1.5951809500451226
Energy: 1.5168763874797326
Energy: 1.4455955009808754
Energy: 1.4408404148698886
Energy: 1.4587833479594459
Energy: 1.487982727802725
Energy: 1.4922107200838879
Energy: 1.5458730947851267
Energy: 1.5981750195640125
Energy: 1.4110734357006975
Energy: 1.4863647995723006
Energy: 1.5062387362982175
Energy: 1.5387360293253334
Energy: 1.313574944594591
Energy: 1.578843610370866
Energy: 1.625760276852815
Energy: 1.4435650104089333
Energy: 1.5275917915373718
Energy: 1.5300191748909586
Energy: 1.6951296479727032
Energy: 1.5614667908903737
Energy: 1.619425843086693
Energy: 1.5690700642916036
Energy: 1.553574569258609
Energy: 1.7304081145573618
Energy: 1.5637529209092755
Energy: 1.5526302622139587
Energy: 1.490073493230684
Energy: 1.6797365198698397
Energy: 1.5595237938336934
Energy: 1.5017275672253447
Energy: 1.6159723583499581
Energy: 1.5105162705986335
Energy: 1.5644784457584286
Energy: 1.489719663327583
Energy: 1.6181025645929255
Energy: 1.5668261043056138
Energy: 1.4862476779596059
Energy: 1.5023075227134057
Energy: 1.5682029597041105
Energy: 1.695855276307459
Energy: 1.6125263042988915
Energy: 1.7214232379969023
Energy: 1.5918694488590577
Energy: 1.513952441143655
Energy: 1.7796027969563417

minimum gb energy = 1.254706358053279 eV
minimum distance =  2.14576612550919 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.3493698789987347
Energy: 1.7058947559693822
Energy: 1.2832164078863735
Energy: 1.3276158023215552
Energy: 1.3293861769364377
Energy: 1.2803595810168147
Energy: 1.3182898559142946
Energy: 1.358158447075407
Energy: 1.65005269361678
Energy: 1.3620239786383603
Energy: 1.3595441308084615
Energy: 1.3585055884442025
Energy: 1.3607472880359117
Energy: 1.6475046311741528
Energy: 1.2881563498751096
Energy: 1.6184551677508423
Energy: 1.2898580166838147
Energy: 1.3176659911153936
Energy: 1.359018457538624
Energy: 1.285789181306034
Energy: 1.3067119774341776
Energy: 1.286680022530092
Energy: 1.6730800334062421
Energy: 1.2886635923506222
Energy: 1.318691352499789
Energy: 1.317080456087085
Energy: 1.289698135441859
Energy: 1.3105154766729357
Energy: 1.3970505464508574
Energy: 1.6495270003264757
Energy: 1.3977742072189272
Energy: 1.6338598847136254
Energy: 1.3591127652164592
Energy: 1.3868102169416316
Energy: 1.6463521742023006
Energy: 1.2843215760174413
Energy: 1.6735441329958824
Energy: 1.2816614847957861
Energy: 1.3178320793556082
Energy: 1.3215133025498755
Energy: 1.281184930430619
Energy: 1.3087758565302052
Energy: 1.3576068939707828
Energy: 1.633744695471135
Energy: 1.366820340532342
Energy: 1.3588479922012984
Energy: 1.3585632284326705
Energy: 1.3605832913686753
Energy: 1.6320811650858582
Energy: 1.3582578220120411
Energy: 1.6305187570919095
Energy: 1.3623976644046298
Energy: 1.3604924810366432
Energy: 1.3611455978532043
Energy: 1.273954783071097
Energy: 1.6321652393832744
Energy: 1.2843959283134765
Energy: 1.6732864509074457
Energy: 1.2804086506408887
Energy: 1.3176048741771509
Energy: 1.3195992444585447
Energy: 1.2790068620393722
Energy: 1.3090824170388975
Energy: 1.379448212692063
Energy: 1.6508818537166887
Energy: 1.3898517826850982
Energy: 1.6619969791269176
Energy: 1.6550744642153274
Energy: 1.3878067829794039
Energy: 1.646646371012364
Energy: 1.2847827985048639
Energy: 1.6724847999980677
Energy: 1.2827206984267272
Energy: 1.3172900912023746
Energy: 1.3198521221493023
Energy: 1.288329160003461
Energy: 1.309266219594734
Energy: 1.2903101706997047
Energy: 1.6079923710211697
Energy: 1.3804890353024968
Energy: 1.3597567725888744
Energy: 1.3612431854878486
Energy: 1.2736632769219232
Energy: 1.6300189357123869
Energy: 1.3578436884146625
Energy: 1.6351064796438022
Energy: 1.3665399943282113
Energy: 1.3580126132626664
Energy: 1.3599157924517693
Energy: 1.3609097548556726
Energy: 1.6321114651544415
Energy: 1.2664278028236928
Energy: 1.7028323288259124
Energy: 1.2831803640517068
Energy: 1.3178819638662387
Energy: 1.3203794999438332
Energy: 1.2799240317650726
Energy: 1.3087607813411914
Energy: 1.397417809111687
Energy: 1.6500568077995301
Energy: 1.388739364787261
Energy: 1.3603419237263445
Energy: 1.3589483683323293
Energy: 1.3607622759179177
Energy: 1.6464443354973055
Energy: 1.2877136153804398
Energy: 1.666743872410047
Energy: 1.2887721196120903
Energy: 1.3188642507912098
Energy: 1.3199240016624298
Energy: 1.2868528166678275
Energy: 1.312128628912985
Energy: 1.2873971744807278
Energy: 1.615918175024004
Energy: 1.2889109456934733
Energy: 1.318052364594074
Energy: 1.3182413953559053
Energy: 1.2874782077733058
Energy: 1.3060902198294817
Energy: 1.397809644574717
Energy: 1.6490037222404246
Energy: 1.363203164708237
Energy: 1.3594729410444235
Energy: 1.3605499159401064
Energy: 1.3606474778762483
Energy: 1.646878266676037
Energy: 1.3222796783078155
Energy: 1.7060650766563152
Energy: 1.2827386946174117
Energy: 1.3180588976175853
Energy: 1.3202623000685036
Energy: 1.280729326883401
Energy: 1.3090634150994838
Energy: 1.3577226799912079
Energy: 1.6328620904771332
Energy: 1.3667352108176578
Energy: 1.3593146938760898
Energy: 1.3585637763595826
Energy: 1.364872409959597
Energy: 1.6481564444126064

minimum gb energy = 1.2664278028236928 eV
minimum distance =  2.1478422418169 Angstroms
sigma value = 23