Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014972497
mass=58.6934
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=[2.44846235384514e-19, 3.22699202383842e-19, 3.8083257937189797e-19, 4.2788690493584396e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.02215512847456833
Energy: 0.022953972334356747
Energy: 1.8051193318207972
Energy: 1.3689330182592025
Energy: 1.392718315915816
Energy: 0.5004065714663144
Energy: 0.022774128756731588
Energy: 0.02286307268898252
Energy: 1.390050406155361
Energy: 0.40138167045857664
Energy: 0.8713884451393387
Energy: 0.9743912228252436
Energy: 0.02329676042881241
Energy: 0.15439855794838866
Energy: 0.022600791227356674
Energy: 1.3904720007422626
Energy: 1.2162009966412306
Energy: 1.2183755581919737
Energy: 0.8723236967274001
Energy: 0.15293578485298612
Energy: 0.15458627455759513
Energy: 0.02554136902661116
Energy: 0.8730849960305048
Energy: 1.2161133088263592
Energy: 1.3690220472293293
Energy: 1.4014865117189788
Energy: 0.1534875136283635
Energy: 0.023153008181373988
Energy: 1.6956957109096702
Energy: 1.3947850540032172
Energy: 0.4013244103895644
Energy: 0.8713428528123565
Energy: 0.9742312216271323
Energy: 0.022922877330020686
Energy: 0.15252333266280366
Energy: 0.022585459962193976
Energy: 1.2778953921149854
Energy: 1.215209320630415
Energy: 1.217816159755357
Energy: 1.1013416573757158
Energy: 0.15280526223525473
Energy: 0.1545609264690222

minimum gb energy = 0.02215512847456833 eV
minimum distance =  2.4682211147641 Angstroms
sigma value = 5


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

Energy: 1.7729754970489924
Energy: 1.686449090851008
Energy: 1.8841374802911568
Energy: 2.0672012221816156
Energy: 1.980619528963039
Energy: 1.923057633171828
Energy: 1.774643521894879
Energy: 1.603757029686366
Energy: 1.894103107860979
Energy: 1.6620244626174119
Energy: 2.0382013827566796
Energy: 1.9322515349737288
Energy: 1.7031599693816815
Energy: 1.9160808943822385
Energy: 1.9118112008330719
Energy: 1.8942718830748084
Energy: 1.9155218844901098
Energy: 1.9353663349007502
Energy: 1.819104335079154
Energy: 1.9145222936445438
Energy: 1.8050831748021
Energy: 1.6699848392557493
Energy: 1.966368128860856
Energy: 1.7208767353078132
Energy: 1.882093049588285
Energy: 1.9028903046812313
Energy: 1.649473802706332
Energy: 1.859495375666412
Energy: 1.8845232954817082
Energy: 1.7740976211000172
Energy: 1.7694911504847584
Energy: 1.650427975706842
Energy: 1.811473212702601
Energy: 1.9190236629821151
Energy: 1.9150345210323012
Energy: 1.743692358000893
Energy: 1.7536590255195479
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Energy: 1.8776114114738454
Energy: 1.799653159452655
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Energy: 1.8708604268263356
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Energy: 1.8194473128741389
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Energy: 1.8892853948948354
Energy: 1.743051142335034
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Energy: 1.7628001596284788
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Energy: 1.9203427787802043
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Energy: 1.781738570811905
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Energy: 1.8927971446699732
Energy: 1.7618746257417404
Energy: 1.8964705144255953
Energy: 1.8586029783763922
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Energy: 1.846239039743419
Energy: 1.7923386217438382
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Energy: 1.6709101757674603
Energy: 1.9612367732038265
Energy: 1.736572386672479
Energy: 1.880171491310077
Energy: 1.7833616405051311
Energy: 1.7932244475717145
Energy: 1.8469731197281307
Energy: 1.8939718354158035
Energy: 1.8440749885366097
Energy: 1.7697116913694955
Energy: 1.6532395381700786
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Energy: 1.746331235223525
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Energy: 1.7692858993743374
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Energy: 1.9036944177759534
Energy: 1.8799561191531733
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Energy: 1.9477818550676087
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Energy: 1.8512434645554288
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Energy: 1.7584443190132084
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Energy: 1.6739178576300342
Energy: 1.9854089569747657
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Energy: 1.899405046171536
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Energy: 1.8481118097847606
Energy: 1.76143917414528
Energy: 1.9273151533884796
Energy: 1.843133877726822
Energy: 1.8954297491417824
Energy: 1.6889718391026216
Energy: 1.8373602155602224
Energy: 1.757797601542318
Energy: 1.850389205328968
Energy: 1.8229980466339017
Energy: 1.7892106302140378
Energy: 1.7711199311098231
Energy: 1.964866755749285
Energy: 1.6529713048823953
Energy: 1.783553114013639
Energy: 1.7218945956507397
Energy: 1.906818883342252
Energy: 1.9223141775914248
Energy: 1.833801745084973
Energy: 1.7756766787127378
Energy: 1.6612423206526394
Energy: 1.6433863832166413
Energy: 1.893546307380143
Energy: 1.9692146351601811
Energy: 1.6440071453605376
Energy: 1.8876043777117129
Energy: 1.8500203429979385
Energy: 1.7364749298365152
Energy: 1.809045408940803
Energy: 1.7582406431989899
Energy: 1.7317550469194223
Energy: 1.837898122881654
Energy: 1.9079273583987668
Energy: 1.6871882542363337
Energy: 1.8736712992243962
Energy: 1.674331047481808
Energy: 1.7173771606223693
Energy: 1.9059419387470216
Energy: 1.6774487039250643
Energy: 1.7315540548586317
Energy: 1.8413594516666647
Energy: 1.81339355225962
Energy: 1.853106576329074
Energy: 1.822975525592122
Energy: 1.8947427743745047
Energy: 1.9174670364243052
Energy: 1.7488667138321274
Energy: 1.661392473972501
Energy: 1.7733715447240002
Energy: 1.7741390298839617
Energy: 2.0298051779530364
Energy: 1.8446204782314097
Energy: 1.6560793347962999
Energy: 1.9575835497490057
Energy: 1.7711032726777771
Energy: 1.7138367215489316
Energy: 1.8669363673862618
Energy: 1.9119545406618248
Energy: 1.882828880389183
Energy: 1.7652997853959231
Energy: 1.7220806550312755

minimum gb energy = 1.603757029686366 eV
minimum distance =  2.21873462870737 Angstroms
sigma value = 401


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

Energy: 1.704593757564538
Energy: 1.64106552104468
Energy: 1.8770159275575682
Energy: 1.9648960222207683
Energy: 2.0474785303292244
Energy: 1.6886611614414855
Energy: 1.7238872584638227
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Energy: 1.6471793887736645
Energy: 1.7132154259261334
Energy: 2.0208257152106697
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Energy: 2.0089029938747536
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Energy: 1.8297019805702999
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Energy: 1.9117358014879362
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Energy: 1.7599697020553855
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Energy: 1.7989027877379427
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Energy: 1.713969727730371
Energy: 1.709409929199998
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Energy: 2.0074912105259366
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Energy: 1.672928775540035
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Energy: 1.8721306024367137
Energy: 1.7206009599491987
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Energy: 1.6668057789561457
Energy: 1.658129567638177
Energy: 1.876951562886529
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Energy: 1.8466993249331258
Energy: 1.6772506648776906
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Energy: 1.7266587147421093
Energy: 1.7067630691973956
Energy: 1.9406576819401704
Energy: 1.7586853619730698
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Energy: 1.7962875681682116
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Energy: 1.8880343156043415
Energy: 1.8294999960669451
Energy: 1.9165225179618146
Energy: 1.8103208269086775
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Energy: 1.7969159519744689
Energy: 1.7469748117467527
Energy: 1.9079683444399775
Energy: 1.8826857269503743
Energy: 1.6647546820214836
Energy: 1.7387314436003538
Energy: 1.6791257248912803
Energy: 1.732573921483717
Energy: 1.9709560455964505
Energy: 1.844401788167513
Energy: 1.8099395710247266
Energy: 1.6705942929113016
Energy: 1.8339116466306717
Energy: 1.8022508726162672
Energy: 1.6821280777601624
Energy: 1.6421960673685863
Energy: 1.8196875228772686
Energy: 1.9528769821191052
Energy: 1.8116953970676704
Energy: 1.8007288028496393
Energy: 1.8542702335120973
Energy: 1.8968712669732946
Energy: 1.8945161805548592
Energy: 1.9798891729872712
Energy: 1.7046003616326768
Energy: 1.8228304185025272
Energy: 1.7073293310046636
Energy: 1.8513229024228317
Energy: 1.7911716072887205
Energy: 1.8440442709990135
Energy: 1.7127297604392213
Energy: 1.694726177161116
Energy: 1.736600421061466
Energy: 1.8303635378876242
Energy: 2.1074901447107033
Energy: 1.8761931481928893
Energy: 1.6796993023731523
Energy: 1.7366072574273042
Energy: 1.6673842366959244
Energy: 1.6535099521222736
Energy: 1.9362955165449867
Energy: 1.7248258034592867
Energy: 1.7167555029810873
Energy: 1.731461808847442
Energy: 1.6702582263416832
Energy: 1.6721177519891752
Energy: 1.6633991602871319
Energy: 1.8742154345573256
Energy: 1.6482563565275856
Energy: 1.9914280223125695
Energy: 1.8495472844883807
Energy: 1.6721418064561782
Energy: 1.6891548305939665
Energy: 1.6387557114843807
Energy: 1.7223236460280988
Energy: 1.6316860338881418
Energy: 1.9902812921114874
Energy: 1.736786691563716
Energy: 1.7359500059299757
Energy: 1.8399480186629977
Energy: 1.958177915984621
Energy: 1.79092686169923
Energy: 1.8867579231449398
Energy: 1.7710723247758813
Energy: 1.8744750200900067
Energy: 1.750828260560375
Energy: 1.7287388246379962
Energy: 1.6519058616893851
Energy: 1.6970222838153606
Energy: 1.6813166593909645
Energy: 1.7280619209414603
Energy: 1.6622295620967162
Energy: 1.9347609457534378
Energy: 1.8848290749351975
Energy: 1.7151931498982436
Energy: 1.7286457254955945
Energy: 1.7233233097997531
Energy: 1.781955271764422
Energy: 1.9564616049776207
Energy: 1.9796786092561105
Energy: 1.753804176994944
Energy: 1.7443960090945183
Energy: 1.6900394414566455
Energy: 1.8482684745517324
Energy: 1.671481285901291
Energy: 1.6455334559667205
Energy: 1.9582255912473123
Energy: 1.9476292609909562
Energy: 1.7676003289865052
Energy: 1.8536824091565554
Energy: 1.8238093208943087
Energy: 1.7233065505852057
Energy: 1.897814725256632
Energy: 1.951830295448432
Energy: 1.7049466645791194
Energy: 1.7965549135228003
Energy: 1.699570989100325
Energy: 1.6842114769830077
Energy: 1.7936885106089155
Energy: 1.8329658408149994
Energy: 1.7096212846534262
Energy: 1.6630311701724025
Energy: 1.7841715040681332
Energy: 1.928361347455647
Energy: 1.7866237400396512
Energy: 1.8953714864354885
Energy: 1.9461068410620845
Energy: 1.8156668418669053
Energy: 1.6650531657630494
Energy: 1.6888265416355521
Energy: 1.918995180325037
Energy: 1.8209423645244298
Energy: 1.6539832883380143
Energy: 1.7648770011780186
Energy: 1.706530808580779

minimum gb energy = 1.6316860338881418 eV
minimum distance =  2.22442660307995 Angstroms
sigma value = 311


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

Energy: 1.8052044480819114
Energy: 1.7463680780441895
Energy: 1.792751375122531
Energy: 1.6773289918387126
Energy: 1.8160303635001687
Energy: 1.7985010670990997
Energy: 1.8064133060120187
Energy: 1.7370220239620628
Energy: 1.8284035460333634
Energy: 1.705484892200254
Energy: 1.7699948423422107
Energy: 1.7429107189901274
Energy: 1.744984219165005
Energy: 1.8335627129044594
Energy: 1.811733810058353
Energy: 1.674813175247901
Energy: 1.691598857521041
Energy: 1.752704343698193
Energy: 1.808495725125068
Energy: 1.7222927315548848
Energy: 1.8059461847013316
Energy: 1.650562601558885
Energy: 1.87028124888472
Energy: 1.709872506256974
Energy: 1.7463347532242344
Energy: 1.7468336076304665
Energy: 1.6514735594591763
Energy: 1.9239557443664572
Energy: 1.8050048337088378
Energy: 1.865236656627227
Energy: 1.7880399362680073
Energy: 1.808717367294823
Energy: 1.812943841666838
Energy: 1.85314340240085
Energy: 1.7604616223590757
Energy: 1.6758575021519315
Energy: 1.7621882637614033
Energy: 1.7334413256124082
Energy: 1.7491444935378284
Energy: 1.730055395538862
Energy: 1.8296299061736967
Energy: 1.7716816601968144
Energy: 1.8168123075212572
Energy: 1.7603370009612938
Energy: 1.818495280242259
Energy: 1.7630251248561264
Energy: 1.8375425977200532
Energy: 1.8103200495362943
Energy: 1.715480186511513
Energy: 1.8008153615767382
Energy: 1.8661213280782871
Energy: 1.755235448779105
Energy: 1.766260720775702
Energy: 1.8674708313123753
Energy: 1.7289692265629373
Energy: 1.691385208527748
Energy: 1.8000268594172517
Energy: 1.776162667641935
Energy: 1.7756705068484597
Energy: 1.680571486153572
Energy: 1.72363968253519
Energy: 1.7711224518213318
Energy: 1.636772574096699
Energy: 1.6501826168321083
Energy: 1.777752482905963
Energy: 1.6488847782408822
Energy: 1.7782689377074576
Energy: 1.8357858600043837
Energy: 1.7333068476281792
Energy: 1.7856986391053287
Energy: 1.8886365483486565
Energy: 1.8749442786029933
Energy: 1.824191567265773
Energy: 1.8668263573670052
Energy: 1.7805936611922524
Energy: 1.8238687173624324
Energy: 1.8059876122684844
Energy: 1.6734309607300286
Energy: 1.8314458033409438
Energy: 1.7298709896418398
Energy: 1.7007959241468342
Energy: 1.7082189841664286
Energy: 1.7755334980175976
Energy: 1.6967179806853439
Energy: 1.817435785527703
Energy: 1.8621497539145797
Energy: 1.8241636897361146
Energy: 1.7612954282072004
Energy: 1.8268252045029598
Energy: 1.8003917583272444
Energy: 1.700642834784833
Energy: 1.7293475771091775
Energy: 1.8084732251162707
Energy: 1.8321763423226718
Energy: 1.7854082544815022
Energy: 1.8478845742872136
Energy: 1.757531408800873
Energy: 1.8164515097771166
Energy: 1.7483085485632395
Energy: 1.6765470883818634
Energy: 1.804254475326883
Energy: 1.7972499927414602
Energy: 1.857438630776262
Energy: 1.7039112489600274
Energy: 1.7306714433428727
Energy: 1.6852242323989082
Energy: 1.8949779666345616
Energy: 1.6364648298849236
Energy: 1.7661537039619142
Energy: 1.7256465030259318
Energy: 1.7120123646780283
Energy: 1.8015621896479177
Energy: 1.8614917702785527
Energy: 1.9134369576245622
Energy: 1.8831147246832445
Energy: 1.8522515165324784
Energy: 1.7973589280912985
Energy: 1.9031115600995951
Energy: 1.7722038718363498
Energy: 1.6905926431613714
Energy: 1.8168005172165729
Energy: 1.7896211834390179
Energy: 1.7425536316795773
Energy: 1.729776539951872
Energy: 1.7100771207346812
Energy: 1.767538856176883
Energy: 1.8243057366592652
Energy: 1.7701291435602409
Energy: 1.8151808872075301
Energy: 1.8078497442286101
Energy: 1.9100754351461564
Energy: 1.8061713690050516
Energy: 1.7844768708897167
Energy: 1.7620636052843646
Energy: 1.8332149023228088
Energy: 1.7847732715127937
Energy: 1.8430665233033463
Energy: 1.9333719234484306
Energy: 1.7817266329870785
Energy: 1.8419563997941444
Energy: 1.759366823594836
Energy: 1.7152746535883658
Energy: 1.8087106647408595
Energy: 1.887087774513822
Energy: 1.857549745491394
Energy: 1.8002538414025657
Energy: 1.7324173263617917
Energy: 1.6513904375308155
Energy: 1.7895603756810319
Energy: 1.8210480308573131
Energy: 1.7561142710234066
Energy: 1.7497664095215493
Energy: 1.7358530907143777
Energy: 1.7727739666377038
Energy: 1.9062138231744212
Energy: 1.83908049324433
Energy: 1.8991915893343858
Energy: 1.867492352955747
Energy: 1.805209858758904
Energy: 1.8923481191066962
Energy: 1.8158979545937277
Energy: 1.7167466399213545
Energy: 1.847678212230481
Energy: 1.8492800580401498
Energy: 1.6984870413286017
Energy: 1.7052475078369338
Energy: 1.7237239669189721
Energy: 1.789770181323065
Energy: 1.8167617239960423
Energy: 1.8014762042942072
Energy: 1.888072718717194
Energy: 1.9342257286966849
Energy: 1.9054688759557301
Energy: 1.7888801983886202
Energy: 1.756465043939704
Energy: 1.7550441017795861
Energy: 1.8738846853031295
Energy: 1.8377609845275804
Energy: 1.8169875180307649
Energy: 1.867623924391548
Energy: 1.774712692044191
Energy: 1.8103339146523112
Energy: 1.782457772034112
Energy: 1.7584759484808956
Energy: 1.8084480905857403
Energy: 1.6832090768401635
Energy: 1.9134553023209744
Energy: 1.7940829482700762
Energy: 1.7737994554298602
Energy: 1.7180748184394743
Energy: 1.813238366621055
Energy: 1.723195102617555
Energy: 1.6731382325201234
Energy: 1.792850041538443
Energy: 1.7258143197004072
Energy: 1.7280484682697566
Energy: 1.8657438875840078
Energy: 1.8712156454207336
Energy: 1.8197098891460373
Energy: 1.890772109038431
Energy: 1.774551342032967
Energy: 1.8647095382182117
Energy: 1.7635230876110393
Energy: 1.7140583372580451
Energy: 1.8250206015403034
Energy: 1.7484312942840954
Energy: 1.7683819079885328
Energy: 1.890355803611021
Energy: 1.8009877073813416
Energy: 1.7538083301442382
Energy: 1.8140749728450476
Energy: 1.7306595825485258
Energy: 1.7865234483226595
Energy: 1.7319498522468848
Energy: 1.871751798519755
Energy: 1.7758586322028604
Energy: 1.7240251635778523
Energy: 1.767880289381786
Energy: 1.8022448760758358
Energy: 1.8410779961867376
Energy: 1.7666390245218315
Energy: 1.9426727257460716
Energy: 1.8250415141147465
Energy: 1.799893874518005
Energy: 1.7977009920909295
Energy: 1.7535919727505533
Energy: 1.7714800090963951
Energy: 1.7287775835067052
Energy: 1.886654619862743
Energy: 1.798764212087325
Energy: 1.816047511593972
Energy: 1.777489216460704
Energy: 1.7947014322251205
Energy: 1.7442985122462062
Energy: 1.7081040832399021
Energy: 1.789392686493929
Energy: 1.7310235216892806
Energy: 1.8265573697889994
Energy: 1.8652191568081802
Energy: 1.8928892175025516
Energy: 1.78775627662197
Energy: 1.8557749230414482
Energy: 1.7389671507064086
Energy: 1.8510529196709569
Energy: 1.8282002537825586
Energy: 1.7718191264080971
Energy: 1.8861077758402025
Energy: 1.779203782939955
Energy: 1.7250400716314025
Energy: 1.765797560703094
Energy: 1.752808415665084
Energy: 1.891465208322425

minimum gb energy = 1.6364648298849236 eV
minimum distance =  2.21875865722856 Angstroms
sigma value = 39


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

Energy: 1.61538206541881
Energy: 1.6228525318349918
Energy: 2.015027295640399
Energy: 1.920165828782895
Energy: 1.8299886693300171
Energy: 1.727839197315402
Energy: 1.5580391330297538
Energy: 1.561835378509298
Energy: 1.734351593123989
Energy: 1.716084524814349
Energy: 1.6098164595697724
Energy: 1.6000376700151493
Energy: 1.6518473411697088
Energy: 1.678079645628514
Energy: 1.650047325187831
Energy: 1.6375652724747485
Energy: 1.7320187216853749
Energy: 1.6065842980181746
Energy: 1.5987550260853565
Energy: 1.6666362258411913
Energy: 1.768496577624257
Energy: 1.6268245589095995
Energy: 1.618613183974567
Energy: 1.7048625953138246
Energy: 1.7238708067067163
Energy: 1.6270488457132073
Energy: 1.7183894256457026
Energy: 1.7751470756870054
Energy: 1.6681379568814194
Energy: 1.5988558820601595
Energy: 1.6903941673225782
Energy: 1.711826481782087
Energy: 1.627572400516447
Energy: 1.9514970335204282
Energy: 1.667366706674275
Energy: 1.5598944388298561
Energy: 1.5979309521936815
Energy: 1.7108093603484957
Energy: 1.8788206295412393
Energy: 1.762432135219825
Energy: 1.6773921494918203
Energy: 1.6673267196397294
Energy: 1.9589606440557936
Energy: 1.7780937744382477
Energy: 1.6764332305665919
Energy: 1.8599368238205591
Energy: 1.5599008775769156
Energy: 1.5609401974460542
Energy: 1.6532975774794185
Energy: 1.557506008550302
Energy: 1.7375072188821226
Energy: 1.9844057271695836
Energy: 1.7472318786719232
Energy: 1.785748863508221
Energy: 1.7374998269954658
Energy: 1.6667653319553066
Energy: 1.560124827212899
Energy: 1.7380357682740375
Energy: 1.9253742837944967
Energy: 1.6197472958984116
Energy: 1.5981838064650284
Energy: 1.918481832148122
Energy: 1.6672466861102535
Energy: 1.959643997816265
Energy: 1.7183022254967486
Energy: 1.7179811961810798
Energy: 1.6086816202884273
Energy: 1.601350575961257
Energy: 1.6515535078826857
Energy: 1.6667703008298485
Energy: 1.6244187360888336
Energy: 1.6174204109429302
Energy: 1.699930535313786
Energy: 1.6190387400176964
Energy: 1.5988892805251658
Energy: 1.6880053697307214
Energy: 1.7788781303873584
Energy: 1.6664143611909423
Energy: 1.5980986785322087
Energy: 1.683381280013619
Energy: 1.6489254296724698
Energy: 1.6280131505439683
Energy: 1.694535308413431
Energy: 1.6798212213488435
Energy: 1.5583819348805927
Energy: 1.6001178500001676
Energy: 1.7326535871593398
Energy: 1.7687036406855388
Energy: 1.7436167457907439
Energy: 1.7369388705704407
Energy: 1.6664737294147676
Energy: 1.740745630290518
Energy: 1.6182726896353208
Energy: 1.7120351042770237
Energy: 1.8625768601096524
Energy: 1.5606270155117306
Energy: 1.5589691690892942
Energy: 1.6916832300076936
Energy: 1.5577088251267313
Energy: 1.7303919042728098
Energy: 1.6767212541586025
Energy: 1.8625828901295536
Energy: 1.5613758940121456
Energy: 1.5587299969516337
Energy: 1.6778456917996862
Energy: 1.5572608181490506
Energy: 1.8480482532789435
Energy: 1.9455667038596864
Energy: 1.6933385840251354
Energy: 1.828840492834126
Energy: 1.7331660892987348
Energy: 1.5579513975073314
Energy: 1.649307103898898
Energy: 1.733667359877398
Energy: 1.7187842157186246
Energy: 1.630558158135605
Energy: 1.5999035974363491
Energy: 1.6515807647618446
Energy: 1.6795464096105295
Energy: 1.6496208009367994
Energy: 1.6371609369165716
Energy: 1.6881572791414743
Energy: 1.6069158682430054
Energy: 1.5984539309591026
Energy: 1.6665474938812093
Energy: 1.7678288273629221
Energy: 1.6261418159734145
Energy: 1.6394460453931161
Energy: 1.7051460332302673
Energy: 1.7232063795414774
Energy: 1.6269936746328393
Energy: 1.718506862303685
Energy: 1.7755443069091401
Energy: 1.6684443907179756
Energy: 1.5987208331885296
Energy: 1.690626886713877
Energy: 1.7127574111884258
Energy: 1.6271433128051975
Energy: 1.9510710998178096
Energy: 1.6672729739954661
Energy: 1.559008680047246
Energy: 1.5976649860278684
Energy: 1.710866653296868
Energy: 1.8788914289033194
Energy: 1.7618750794000786
Energy: 1.558898133441357
Energy: 1.6666837220677357
Energy: 1.95801811423987
Energy: 1.7509840487771937
Energy: 1.6753748097016095
Energy: 1.8447503176065116
Energy: 1.5596155963042033
Energy: 1.561413865786387
Energy: 1.6919766386793007
Energy: 1.5619549692533263
Energy: 1.7351904357097023
Energy: 1.985868380742736
Energy: 1.746706056898321
Energy: 1.7871156927031289
Energy: 1.7374618311843033
Energy: 1.6681870597417905
Energy: 1.55948721880662
Energy: 1.739425304240425
Energy: 1.9254806176507675
Energy: 1.619296100445173
Energy: 1.5980110891418908
Energy: 1.7174826056811168
Energy: 1.6665074807228255
Energy: 1.9575309484295584
Energy: 1.7198999454550965
Energy: 1.7178225147303356
Energy: 1.6098280457130532
Energy: 1.5987054761894797
Energy: 1.6508574585643543
Energy: 1.6665354034889752
Energy: 1.6241536338523448
Energy: 1.6176340896964192
Energy: 1.700015144909229
Energy: 1.6197309741729031
Energy: 1.5993570389625231
Energy: 1.7162254703627773
Energy: 1.7778639679828283
Energy: 1.6678064075335552
Energy: 1.5985537642723253
Energy: 1.6822906190184317
Energy: 1.648829033133139
Energy: 1.6285211810449773
Energy: 1.6951869598270226
Energy: 1.6795012022276505
Energy: 1.5587018835257602
Energy: 1.599814333259408
Energy: 1.7329786572826946
Energy: 1.7684960852173348
Energy: 1.7432222393767893
Energy: 1.7370084275616062
Energy: 1.668172900009829
Energy: 1.74096273983929
Energy: 1.6182920407383081
Energy: 1.7122308498325145
Energy: 1.862756666197577
Energy: 1.5604440727059834
Energy: 1.5589312555607848
Energy: 1.6906747420401893
Energy: 1.5591534057485301
Energy: 1.7323992084894937
Energy: 1.6770981057043797
Energy: 1.879618388707584
Energy: 1.5615550982813449
Energy: 1.5585577168485967
Energy: 1.67779069027628

minimum gb energy = 1.5572608181490506 eV
minimum distance =  2.23325361449313 Angstroms
sigma value = 21


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

Energy: 2.0090051077174556
Energy: 1.7678597614372102
Energy: 1.6476224556245875
Energy: 1.8540620320338708
Energy: 1.7879189729773004
Energy: 1.6856430455097073
Energy: 1.6576439937024112
Energy: 1.6545887922804536
Energy: 1.8297164843461025
Energy: 1.8711712365410298
Energy: 1.863343413838672
Energy: 1.939445671743342
Energy: 1.8330448942517819
Energy: 1.8321023112682184
Energy: 1.890176115845542
Energy: 1.7274789725547248
Energy: 1.6456749796812198
Energy: 1.9306653588638105
Energy: 1.572164031409323
Energy: 1.5719881633513435
Energy: 1.8511158898662325
Energy: 1.7910334926112306
Energy: 1.8423969323455964
Energy: 1.7221183374473694
Energy: 1.803472167382877
Energy: 1.6932179428686085
Energy: 1.6336142250107415
Energy: 1.8495928603820728
Energy: 1.5724797649011066
Energy: 1.720431492955818
Energy: 1.6640342560341308
Energy: 1.5818610329663632
Energy: 1.6360632872108034
Energy: 1.6286423841732909
Energy: 1.5903263732174304
Energy: 1.556296269118515
Energy: 1.6314457776581321
Energy: 1.6238838718092228
Energy: 1.7133791715994344
Energy: 1.5979135029015048
Energy: 1.5841729038533314
Energy: 1.6436164113233758
Energy: 1.9804776144882754
Energy: 1.6752366920239308
Energy: 1.6354443314816516
Energy: 1.7353267489024238
Energy: 1.5891458244604075
Energy: 1.5574364647013337
Energy: 1.6564729385319281
Energy: 1.6335001196109293
Energy: 1.6069111419806923
Energy: 1.6461428366122766
Energy: 1.7760919076404562
Energy: 1.571931122956871
Energy: 1.5734324626107443
Energy: 1.7040213516613878
Energy: 1.62685655688297
Energy: 1.7670623449304286
Energy: 1.8535470206588438
Energy: 1.6600128777375918
Energy: 1.9866411870931697
Energy: 2.087047245033362
Energy: 2.0326316448482666
Energy: 1.5716721691224178
Energy: 1.869533144271286
Energy: 1.6492840946978733
Energy: 1.8549244448578102
Energy: 1.6660408374558093
Energy: 1.8904562970380703
Energy: 1.7908714296779848
Energy: 1.78741270089829
Energy: 1.7777682722129502
Energy: 1.6444042046360998
Energy: 1.6631560995445653
Energy: 1.5572676168198671
Energy: 1.556672390817669
Energy: 1.8326166538220476
Energy: 1.8632509634928685
Energy: 1.7220503970450485
Energy: 1.8542382658412155
Energy: 2.2047567144632785
Energy: 1.5571616884820316
Energy: 1.5568610441204924
Energy: 1.9224363995340297
Energy: 1.557007742344181
Energy: 1.7243483952284102
Energy: 2.0321048002993054
Energy: 1.8203257116618976
Energy: 1.7314532316473101
Energy: 1.632583443048299
Energy: 1.6563362366589909
Energy: 1.5568826510917233
Energy: 1.7447900886643275
Energy: 1.6449741527169006
Energy: 1.6833013274053086
Energy: 1.7987207232914726
Energy: 1.7038439632554105
Energy: 1.8324902497770865
Energy: 1.8894328279202557
Energy: 1.6374031119667667
Energy: 1.647568872013003
Energy: 1.960192999452371
Energy: 1.8333298870019519
Energy: 1.7998858581564663
Energy: 1.7906178022397332
Energy: 1.8013572689045914
Energy: 1.7266734972549158
Energy: 1.6939487891241163
Energy: 1.6700051376328653
Energy: 1.6934237785091473
Energy: 1.8407345119251886
Energy: 2.0623945569280298
Energy: 1.571696283803392
Energy: 1.721015633954404
Energy: 1.6251287312056308
Energy: 1.631973641116528
Energy: 1.6684798634465916
Energy: 1.6283984770266426
Energy: 1.5921180602111404
Energy: 1.556813606517858
Energy: 1.6318789857558569
Energy: 1.6542851000369498
Energy: 1.9202816615157112
Energy: 1.9803106972933364
Energy: 2.1318467183333363
Energy: 1.8957695048037055
Energy: 1.5554014654266044
Energy: 1.5910948783334082
Energy: 1.6237730089560114
Energy: 1.6666555316436023
Energy: 1.5880884277703275
Energy: 1.558074590538671
Energy: 1.6565657889513847
Energy: 1.6277629388066193
Energy: 1.606590272660186
Energy: 1.7019767640416275
Energy: 1.6596736738365492
Energy: 1.7201932281759584
Energy: 1.5722037280965304
Energy: 1.5909750623566297
Energy: 1.6349108224705542
Energy: 1.633084190219207
Energy: 1.8297582387599256
Energy: 1.9501427264088973
Energy: 1.938726159774181
Energy: 2.050544321847733
Energy: 2.0292712957053727
Energy: 1.5717649553477664
Energy: 1.8045482844775675
Energy: 1.6472747390963278
Energy: 1.688069328000744
Energy: 1.6122513445466495
Energy: 1.7839252024592396
Energy: 1.5697769277286113
Energy: 1.83287046398918
Energy: 1.6651048224347926
Energy: 1.954719855352571
Energy: 1.8851254698542261
Energy: 1.6920552084470188
Energy: 1.7302614903280706
Energy: 1.8338993177555656
Energy: 1.6536349380995092
Energy: 1.6374525316335515
Energy: 1.7693238160788973
Energy: 2.148728445347203
Energy: 1.5569187964695594
Energy: 1.5558792810562887
Energy: 1.7177941272825281
Energy: 1.5566997372757416
Energy: 1.7560918020753236
Energy: 1.9019575426933049
Energy: 1.6814715984050126
Energy: 1.692281841301272
Energy: 1.981894525100138
Energy: 1.833068032493882

minimum gb energy = 1.5554014654266044 eV
minimum distance =  2.22305386628567 Angstroms
sigma value = 113


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

Energy: 1.868474433317843
Energy: 2.0553866178652616
Energy: 2.065327926333438
Energy: 2.0469948299442158
Energy: 1.9917679146931717
Energy: 2.0127496327970387
Energy: 2.052378380816717
Energy: 2.062458330871675
Energy: 2.097432380301253
Energy: 2.0273585698732877
Energy: 2.1290663414652338
Energy: 2.0802630924548997
Energy: 2.033807968654795
Energy: 2.0989764943670806
Energy: 2.0660826133049284
Energy: 1.9725667057190193
Energy: 1.961720853051926
Energy: 2.0249138323714444
Energy: 2.0084976084800368
Energy: 1.9752637204545387
Energy: 2.108188730638089
Energy: 1.9046155709080717
Energy: 2.1627545890079167
Energy: 1.9260773460940233
Energy: 2.017953137372089
Energy: 2.003716832382794
Energy: 1.916624475053476
Energy: 2.075223589010119
Energy: 1.8651904835213466
Energy: 2.053915601019523
Energy: 1.843318530906798
Energy: 1.9921643099302044
Energy: 1.9161473630201304
Energy: 1.848223299231126
Energy: 1.9456192191375137
Energy: 1.7400674589845215
Energy: 1.916488230307128
Energy: 1.9900903817819433
Energy: 1.8426180226300788
Energy: 1.8166632275546537
Energy: 1.7972903201987465
Energy: 1.9360545897067332
Energy: 1.9602766439301598
Energy: 2.1282728608816837
Energy: 1.8357715722573222
Energy: 1.8772256787739432
Energy: 1.8761710956747368
Energy: 1.8327922211370031
Energy: 2.0565055376077295
Energy: 2.043239827525165
Energy: 1.7082178553463985
Energy: 2.0009578192090873
Energy: 2.033885790262181
Energy: 1.9415481785610444
Energy: 1.8649731944144412
Energy: 1.814379765266252
Energy: 1.631181737220512
Energy: 1.9196195573178445
Energy: 1.9197297814370409
Energy: 1.8585749457604452
Energy: 1.9776885492229705
Energy: 1.9972957676437162
Energy: 1.9304244559023676
Energy: 1.8755889428224788
Energy: 1.8296083521798954
Energy: 1.8523184662379217
Energy: 1.9203822054200514
Energy: 1.9112220494594963
Energy: 1.9781043572605044
Energy: 1.8681668859869351
Energy: 1.8808720185052519
Energy: 1.8093899825157125
Energy: 1.8778379194440578
Energy: 1.716976292927779
Energy: 1.8911829952488268
Energy: 1.8674241660740087
Energy: 1.8194104817796783
Energy: 1.7125463045067368
Energy: 2.0274645816032058
Energy: 1.995326874126393
Energy: 2.002336951052023
Energy: 1.8479895113957927
Energy: 1.9223746546023215
Energy: 2.0142059785621798
Energy: 1.9276801041630194
Energy: 1.7025560976753893
Energy: 1.8973861127518576
Energy: 1.9342759923514115
Energy: 1.9234143227045055
Energy: 1.80929359148044
Energy: 1.7487008745792474
Energy: 1.9115527166654043
Energy: 1.8279498647129702
Energy: 2.0348455469141795
Energy: 1.7060316650420075
Energy: 1.7685481196137776
Energy: 1.8494088810326543
Energy: 1.9643382651107393
Energy: 1.7449155406978427
Energy: 1.9459143373428414
Energy: 1.8567539264250217
Energy: 1.8470177649793247
Energy: 1.7197530282368843
Energy: 1.9029494733327241
Energy: 1.8476771259357736
Energy: 1.8534466123775213
Energy: 1.868376894989509
Energy: 1.9029310848059624
Energy: 1.9934963306230369
Energy: 1.905378226451069
Energy: 1.901458442081969
Energy: 1.915367983128884
Energy: 1.8670237407238117
Energy: 2.026320546964627
Energy: 1.9159884325864671
Energy: 2.029475895281173
Energy: 1.9105204534633347
Energy: 1.911407224966186
Energy: 2.012424414346678
Energy: 1.8267029829080434
Energy: 1.9322209743501544
Energy: 1.9229157869575333
Energy: 1.9269634532230024
Energy: 1.9150193941843239
Energy: 1.9446640911997177
Energy: 1.9217317281649666
Energy: 1.9862139533514096
Energy: 2.1041317270090825
Energy: 1.9575692066108437
Energy: 2.1001220851471047
Energy: 1.9661947950079732
Energy: 2.031312657033593
Energy: 2.0016448083463922
Energy: 1.9024023480421908
Energy: 2.0588793731285833
Energy: 1.9362116745778395
Energy: 2.0553835974481234
Energy: 2.00510958880395
Energy: 1.9149517110818428
Energy: 2.0956137000639563
Energy: 2.0667733214797237
Energy: 2.019198620443017
Energy: 1.9527945185598599
Energy: 2.1474330468191294
Energy: 1.9746997575969112
Energy: 1.886078396711471
Energy: 2.120532815417268
Energy: 2.0012625793565633
Energy: 2.0114572579893046
Energy: 1.970560813014381
Energy: 2.1849595140548326
Energy: 1.974018006533301
Energy: 1.8805529658421358
Energy: 2.094651763921938
Energy: 1.860345305136078
Energy: 2.000006929168297
Energy: 2.068751191182594
Energy: 2.046071062851626
Energy: 1.9929963033825848
Energy: 1.9125459986952504
Energy: 2.0218658263461218
Energy: 2.0578015681520294
Energy: 2.0989213828150035
Energy: 2.0146911250951485
Energy: 2.055095323382797
Energy: 1.974347755406914
Energy: 2.0380112074121177
Energy: 2.141546323697676
Energy: 1.8271507592818637
Energy: 1.9740614534136118
Energy: 1.9586238183795466
Energy: 2.023626589831218
Energy: 1.9131074750225951
Energy: 1.985510335132075
Energy: 2.121461146552199
Energy: 1.901686794861342
Energy: 2.1487366239642336
Energy: 1.9297356040377123
Energy: 2.0172497649571866
Energy: 2.0068295459904104
Energy: 1.91895825322631
Energy: 2.073567089138255
Energy: 1.9459588065456166
Energy: 2.0172539128242346
Energy: 1.9280592057875172
Energy: 1.9598486146698049
Energy: 1.9247115375057102
Energy: 1.9292834959321066
Energy: 1.9433672011740808
Energy: 1.7395370115156301
Energy: 1.9185087170205377
Energy: 1.956011678366832
Energy: 1.906036366852798
Energy: 1.7746294796571427
Energy: 1.799073738751983
Energy: 1.936165475609465
Energy: 1.9230327623686139
Energy: 1.948509735533916
Energy: 1.8335136863171873
Energy: 1.9867472120766434
Energy: 1.874013369970492
Energy: 1.83161026941628
Energy: 2.051091943326366
Energy: 1.8386480433031323
Energy: 1.707481254946626
Energy: 1.7922074053235049
Energy: 2.0299444319696787
Energy: 1.970211783485993
Energy: 1.75855593765355
Energy: 1.8144076672726996
Energy: 1.6834507735184205
Energy: 1.8209994048403795
Energy: 1.92008126876479
Energy: 1.9795535086080605
Energy: 1.9757429922211154
Energy: 1.9993401963185427
Energy: 1.9332797277151308
Energy: 1.8569080903654465
Energy: 1.9720485848556752
Energy: 1.8343058708122624
Energy: 1.876746949118606
Energy: 1.9124311448401774
Energy: 1.9155064579770853
Energy: 1.870052081825822
Energy: 1.878595445556749
Energy: 1.807799406050187
Energy: 1.7759758709132942
Energy: 1.8946617588502088
Energy: 1.8398592035139065
Energy: 1.7368750997150266
Energy: 1.8502968738635002
Energy: 1.7092397705811107
Energy: 2.041120821486007
Energy: 1.9802555219448632
Energy: 2.0047577842678965
Energy: 1.9107013623285847
Energy: 1.9225717543539
Energy: 1.9542885082197543
Energy: 1.9290560336001699
Energy: 1.7008628115516085
Energy: 1.9015450260323246
Energy: 1.9380264117366819
Energy: 2.0076206850318723
Energy: 1.8676885439050233
Energy: 1.7871430121897844
Energy: 1.9185662376262838
Energy: 1.8270526517696488
Energy: 1.9695941324600967
Energy: 1.8634529899530925
Energy: 1.8030021914739291
Energy: 1.8346747615594396
Energy: 1.9465332804133246
Energy: 1.66915038273995
Energy: 1.9477499482369323
Energy: 1.8776221045533696
Energy: 1.8422519721399415
Energy: 1.7364713679400674
Energy: 1.8813125133604391
Energy: 1.8547490578159298
Energy: 1.8829471973559129
Energy: 1.838515579654116
Energy: 1.7702763407366675
Energy: 1.8877770003186538
Energy: 1.8615638076303118
Energy: 1.8563073818914004
Energy: 1.91834352497543
Energy: 1.8715425990675167
Energy: 2.0968954022969455
Energy: 1.912744989708604
Energy: 2.0320476546475
Energy: 1.9113710668696242
Energy: 1.833206992391803
Energy: 1.9702630350762973
Energy: 1.8280225299349757
Energy: 1.8862118839731137
Energy: 1.944861852382132
Energy: 1.929531232259565
Energy: 2.0084319699281363
Energy: 1.9374449160353173
Energy: 1.9233630724413406
Energy: 1.9856850837742885
Energy: 2.103710870646269
Energy: 1.857429157070214
Energy: 2.145823240647576
Energy: 2.0852101833451084
Energy: 2.0777497265987086
Energy: 2.011808334985511
Energy: 1.9121852720846577
Energy: 2.055431346154799
Energy: 1.9357642908543102
Energy: 2.052504615754895
Energy: 2.0048473893009255
Energy: 2.013397314911192
Energy: 2.0959103687510683
Energy: 2.068709337715187
Energy: 2.0406224263542287
Energy: 1.9556557586519916
Energy: 2.2253744564153233
Energy: 1.9753492739294827
Energy: 1.879922573144911
Energy: 2.123504756080268
Energy: 2.0004115650166314
Energy: 2.0097668105050706
Energy: 1.9667753277821771
Energy: 2.1510343153227574
Energy: 1.973263123716023
Energy: 1.9189021667194621
Energy: 2.0737764091008692
Energy: 1.851742789940599
Energy: 2.0030674458864457
Energy: 2.070980589617416
Energy: 2.045572290346405
Energy: 1.994965153814675
Energy: 1.914195288882449
Energy: 2.0204135470925753

minimum gb energy = 1.631181737220512 eV
minimum distance =  2.17216246346701 Angstroms
sigma value = 365


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

Energy: 1.7716691002019813
Energy: 1.7299834352728516
Energy: 1.7506731717664157
Energy: 1.7311557041007084
Energy: 1.728030432369221
Energy: 1.7499974563502017
Energy: 1.7307401425760833
Energy: 1.6589295537658317
Energy: 1.9943048250375068
Energy: 1.7072340009279894
Energy: 1.7109851916743815
Energy: 1.7104044340789546
Energy: 1.7098466971250086
Energy: 1.994503085750502
Energy: 1.7607602043106838
Energy: 1.9995491184400087
Energy: 1.7115747787684406
Energy: 1.7093174353778546
Energy: 1.7083256281942563
Energy: 1.710129882134387
Energy: 1.7278776179894357
Energy: 1.7619567790103368
Energy: 1.9997988466751386
Energy: 1.7116029962037271
Energy: 1.7103387391156206
Energy: 1.7095302865393323
Energy: 1.711618777955064
Energy: 1.7317355194015924
Energy: 1.6603213930238225
Energy: 1.9930527146136494
Energy: 1.6297626565405936
Energy: 1.9661651332658472
Energy: 1.708315250469534
Energy: 1.6292260054689367
Energy: 1.9968707497106803
Energy: 1.7087895233529338
Energy: 1.9990024987089576
Energy: 1.7087920530140654
Energy: 1.730093761919532
Energy: 1.7087607123664297
Energy: 1.7107772534702514
Energy: 1.729688420664171
Energy: 1.761781351754744
Energy: 1.9938104406642918
Energy: 1.7116693362482127
Energy: 1.7099103435973588
Energy: 1.7092977295334062
Energy: 1.7103366385548708
Energy: 2.1469796736746263
Energy: 1.760526240857853
Energy: 1.9652400542061745
Energy: 1.7114985111784293
Energy: 1.7093539027427571
Energy: 1.7082639961142023
Energy: 1.7099456396982358
Energy: 1.9958852308102384
Energy: 1.7618110442965547
Energy: 2.0001487026086835
Energy: 1.7078399164404692
Energy: 1.710301590727584
Energy: 1.7096072268346998
Energy: 1.712623279262536
Energy: 1.7313777888857098
Energy: 1.6295743263599247
Energy: 1.9937848374536715
Energy: 1.6288741197980199
Energy: 1.966525254460816
Energy: 2.147402030631402
Energy: 1.6289518871821955
Energy: 1.99583544518891
Energy: 1.761161545053615
Energy: 2.000414757519449
Energy: 1.7079404777518052
Energy: 1.7099934251919882
Energy: 1.710629209724192
Energy: 1.710292467826928
Energy: 1.7308935279649587
Energy: 1.7600841390380364
Energy: 1.9968700002540116
Energy: 1.710900988328077
Energy: 1.7090283813444374
Energy: 1.7084740516037547
Energy: 1.7101743255411117
Energy: 1.9942340400427494
Energy: 1.761894204305304
Energy: 1.9936960542208448
Energy: 1.707732639201257
Energy: 1.7105853254669476
Energy: 1.7096556697869565
Energy: 1.7109172952732656
Energy: 1.9954415276301365
Energy: 1.7099940413181216
Energy: 1.9999359139535327
Energy: 1.7078580935691798
Energy: 1.731149379021298
Energy: 1.7300985186106295
Energy: 1.7085329045826945
Energy: 1.7319406501830057
Energy: 1.659008052159818
Energy: 2.1473902116347094
Energy: 1.6293588752529387
Energy: 1.7119211111714374
Energy: 1.709468685590277
Energy: 1.7073011411185162
Energy: 1.9950379536819276
Energy: 1.7604281052493662
Energy: 2.0381526762391733
Energy: 1.712174726137003
Energy: 1.710091609508099
Energy: 1.7093668565803464
Energy: 1.7101627077183863
Energy: 1.7277377206547937
Energy: 1.7606217222889002
Energy: 1.9968840701887187
Energy: 1.7118581704700695
Energy: 1.7093618569923712
Energy: 1.7086935296733319
Energy: 1.7106142673057543
Energy: 1.728156195825378
Energy: 1.6588783572825212
Energy: 1.9938547900621586
Energy: 1.7072246014915524
Energy: 1.7111931061905221
Energy: 1.7116927382966451
Energy: 1.706962341054948
Energy: 1.9951296938566216
Energy: 1.7288190123905283
Energy: 2.0006454311856716
Energy: 1.710247892476085
Energy: 1.730979344558544
Energy: 1.728953265110089
Energy: 1.709407257010154
Energy: 1.7301142756552836
Energy: 1.7121032241626237
Energy: 1.993711506676889
Energy: 1.707312345859755
Energy: 1.7105928442984315
Energy: 1.7099515034598154
Energy: 1.7100169196755892
Energy: 1.9954244317110201

minimum gb energy = 1.6288741197980199 eV
minimum distance =  2.2177713048357 Angstroms
sigma value = 23