Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.045353233814239
cohesive_energy=3.3603034700051637
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 2.4293644083678596e-19, 2.9105941821560997e-19, 3.2932740711869995e-19, 3.6091431945801e-19, 3.87569732117868e-19, 4.1038152303275995e-19, 4.30086693454326e-19, 4.47205950788616e-19, 4.621334304875939e-19, 4.75167137405184e-19, 4.86545795859852e-19, 4.96456860517776e-19, 5.050605490423559e-19, 5.12485035564312e-19, 5.188408702713899e-19, 5.242209794083619e-19, 5.28655804331274e-19, 5.31829716243228e-19, 5.341929267783779e-19, 5.359969776682619e-19, 5.37293138565168e-19, 5.380766029391939e-19, 5.38337757730536e-19, 5.38049365936416e-19, 5.37112092605526e-19, 5.35410581020218e-19, 5.32815054873138e-19, 5.29176511737324e-19, 5.243123034765e-19, 5.18009340598344e-19, 5.100080704881479e-19, 4.9999927305555e-19, 4.8760643679156e-19, 4.72368134825586e-19, 4.53723605335728e-19, 4.3097109495629396e-19, 4.03240621775022e-19, 3.69433092620988e-19, 3.2815301164597795e-19, 2.77602736666644e-19, 2.1544308979734597e-19, 1.3858315187577118e-19, 4.2878732820415196e-20, -7.73324198109414e-20, -2.2993317527524196e-19, -4.26178984644e-19, -6.8256409614658195e-19, -1.0240728522135838e-18, -1.4900611196825821e-18, -2.14553881765476e-18, -3.1045216419354596e-18, -4.5832665880521e-18, -7.03717634245284e-18]
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: 0.011709375820428067
Energy: 0.012581891119508136
Energy: 0.05749766872986123
Energy: 0.057450937227485115
Energy: 0.012476306874291253
Energy: 0.012570108243691773
Energy: 0.058113382619370844
Energy: 0.057549191928470494
Energy: 0.05766972681001781
Energy: 0.012286953889337093
Energy: 0.012331961096936678
Energy: 0.24157524651880527
Energy: 0.05821316526419181
Energy: 0.24314669585007018
Energy: 0.05730251511833479
Energy: 0.0575258691680278
Energy: 0.24137685977219003
Energy: 0.058256025262700885
Energy: 0.24236273157308721
Energy: 0.057668731709181
Energy: 0.057446951995447054
Energy: 0.012384272762735267
Energy: 0.012038759563437555
Energy: 0.05965815266729545
Energy: 0.05716525470211087
Energy: 0.057571648830317686
Energy: 0.012237601056620204
Energy: 0.01204065691963296
Energy: 0.05777527393964703
Energy: 0.05727917322435653
Energy: 0.05736599727137977
Energy: 0.012326432098947532
Energy: 0.012081746999649734
Energy: 0.24379326945095267
Energy: 0.05763578720265336
Energy: 0.057278847260796
Energy: 0.012333719338937356
Energy: 0.012140117196144246
Energy: 0.2428162488302272
Energy: 0.057527607561157545
Energy: 0.057367919861281536
Energy: 0.05747685300620918
Energy: 0.05745483631763487
Energy: 0.012150803634806
Energy: 0.012276795551530826
Energy: 0.057423775149725374
Energy: 0.05745949183035247
Energy: 0.05742535123258551
Energy: 0.012109093076898274
Energy: 0.24152914349478494
Energy: 0.05737451632784821
Energy: 0.057281015894845876
Energy: 0.05769155835451951
Energy: 0.012146458138919708
Energy: 0.012354014741855403
Energy: 0.05741642279134046
Energy: 0.4905164906146141
Energy: 0.05835010038832652
Energy: 0.01223642383701772
Energy: 0.012560869352930234
Energy: 0.012648870383052178
Energy: 0.24135335378877273
Energy: 0.05732694862080306
Energy: 0.05936564460021433
Energy: 0.2415727625996222
Energy: 0.012638210957266258
Energy: 0.24129465065743122
Energy: 0.0573899051813492
Energy: 0.0586958169641045
Energy: 0.05730201256500241

minimum gb energy = 0.011709375820428067 eV
minimum distance =  2.82571900025148 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.6549611319865892
Energy: 0.5889644493892743
Energy: 0.58171946718882
Energy: 0.582424669158398
Energy: 0.7266675977674566
Energy: 0.607245379336429
Energy: 0.5679343772014033
Energy: 0.5816126416636662
Energy: 0.5776673037983806
Energy: 0.7070091169436333
Energy: 0.5847905356645315
Energy: 0.7197356999089356
Energy: 0.5814380489056102
Energy: 0.5997579839273895
Energy: 0.5801987294709419
Energy: 0.5487873020825272
Energy: 0.6632766971264704
Energy: 0.5775611685540697
Energy: 0.5423377749190894
Energy: 0.6097187727794765
Energy: 0.5959501893145992
Energy: 0.6743326336030063
Energy: 0.6022946309049474
Energy: 0.5477799853795315
Energy: 0.5322374970618363
Energy: 0.5491497892039552
Energy: 0.675056471865698
Energy: 0.5542303302659075
Energy: 0.5966321248257507
Energy: 0.579887202700156
Energy: 0.609662788380961
Energy: 0.5788558402341234
Energy: 0.6050897225586424
Energy: 0.6204701524831296
Energy: 0.5594496280304546
Energy: 0.6028899963306795
Energy: 0.6207643564907608
Energy: 0.608340849331404
Energy: 0.5990681553546893
Energy: 0.5787371521146655
Energy: 0.5819198801183011
Energy: 0.6185863393622413
Energy: 0.693475180557295
Energy: 0.5885865432267919
Energy: 0.580291674801489
Energy: 0.5401519397872643
Energy: 0.6227097862181915
Energy: 0.7108053154039983
Energy: 0.5616055362394532
Energy: 0.5523712330438756
Energy: 0.6162332277367313
Energy: 0.6570606095752571
Energy: 0.5760741545728948
Energy: 0.5673922677964838
Energy: 0.6930406832260333
Energy: 0.6182887273358733
Energy: 0.6585596423656491
Energy: 0.5506673218333156
Energy: 0.5382728612443125
Energy: 0.670242929354229
Energy: 0.5787064862588099
Energy: 0.7009762303255822
Energy: 0.5777376970537186
Energy: 0.6526915118233079
Energy: 0.5459167020559094
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Energy: 0.7071379084097876
Energy: 0.5516647016108828
Energy: 0.6262349782939454
Energy: 0.5800733505726429
Energy: 0.5787648817643377
Energy: 0.622177068866115
Energy: 0.5897149329461459
Energy: 0.5121084466351211
Energy: 0.5796753937140158
Energy: 0.5798079933678706
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Energy: 0.4940476087085207
Energy: 0.579073641702516
Energy: 0.5795145497256983
Energy: 0.5442825037065905
Energy: 0.6508897521034663
Energy: 0.5737410017202768
Energy: 0.6227425031066864
Energy: 0.5806078072731663
Energy: 0.576547183518728
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Energy: 0.6014260001288154
Energy: 0.5906210209712804
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Energy: 0.6837751989525613
Energy: 0.6562901563462503
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Energy: 0.6263515182344224
Energy: 0.5493668165722415
Energy: 0.5827568905092918
Energy: 0.6500476138855928
Energy: 0.5783496719072547
Energy: 0.6273755829738867
Energy: 0.5869553234754005
Energy: 0.5822355927552242
Energy: 0.649774253849871
Energy: 0.6708275067516948
Energy: 0.6075680258632417
Energy: 0.5392986975309023
Energy: 0.5846050240571125
Energy: 0.5863447708009479
Energy: 0.7281967096357026
Energy: 0.608015539967373
Energy: 0.5391527365260536
Energy: 0.5851187989275156
Energy: 0.5811724435822844
Energy: 0.7298785468123298
Energy: 0.4924941124206428
Energy: 0.7267274659028704
Energy: 0.5832353549806512
Energy: 0.6045782935056684
Energy: 0.5487788014899407
Energy: 0.4923782574846861
Energy: 0.6610777034560156
Energy: 0.5817036147300972
Energy: 0.545016334399646
Energy: 0.5535820750053749
Energy: 0.5502610829069408
Energy: 0.74641005589703
Energy: 0.5548608417067743
Energy: 0.605665064704702
Energy: 0.5394403564425404
Energy: 0.5525927141199898
Energy: 0.7567566945432446
Energy: 0.5568587970054785
Energy: 0.5887082211213625
Energy: 0.5448705740301252
Energy: 0.5737995621567812
Energy: 0.5582022727066019
Energy: 0.6037905981509221
Energy: 0.5520707597307888
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Energy: 0.577760740229082
Energy: 0.5575454856458899
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Energy: 0.5498989529364444
Energy: 0.5071081050478915
Energy: 0.693022125532976
Energy: 0.6219744085091522
Energy: 0.6950086077276921
Energy: 0.5421280258713247
Energy: 0.5519263503995663
Energy: 0.5854471084039011
Energy: 0.6231511074175756
Energy: 0.71933946483258
Energy: 0.5660745706640904
Energy: 0.5787470214227949
Energy: 0.677724086201929
Energy: 0.6559021568122406
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Energy: 0.6312836423641892
Energy: 0.6575086040658598
Energy: 0.5764148407422109
Energy: 0.5672388783288974
Energy: 0.7053844122125786
Energy: 0.5792099692279361
Energy: 0.6450710264466862
Energy: 0.5675794246704904
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Energy: 0.5810940186870641
Energy: 0.5803302702787395
Energy: 0.6053458995576573
Energy: 0.5805787406943053
Energy: 0.6483748993890854
Energy: 0.5801524673531764
Energy: 0.5788974988244093
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Energy: 0.7208534925825925
Energy: 0.4997694306282888
Energy: 0.579886996827808
Energy: 0.5799159590805664
Energy: 0.6241699405088383
Energy: 0.7339438114862998
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Energy: 0.5790152397712663
Energy: 0.579551298141738
Energy: 0.5767477717802773
Energy: 0.568781244197446
Energy: 0.6075952985457733
Energy: 0.622996845434051
Energy: 0.5797905059682351
Energy: 0.5461956944062804
Energy: 0.5124694970647704
Energy: 0.7568077007421823
Energy: 0.6226479847133181
Energy: 0.5451991176123205
Energy: 0.5757472794995914
Energy: 0.546469046630015
Energy: 0.5797394482143614
Energy: 0.6079491835526596
Energy: 0.5551931214222727
Energy: 0.6065956464829223
Energy: 0.5750352246300495
Energy: 0.6494112197872935
Energy: 0.6022518088638399
Energy: 0.5508767887064463
Energy: 0.5521692998475446
Energy: 0.5403368989053872
Energy: 0.5938558702254205
Energy: 0.602528591282062
Energy: 0.5931267209041904
Energy: 0.5763405190483535
Energy: 0.5756785131637648
Energy: 0.6018027621931866
Energy: 0.6021690159928244
Energy: 0.715073323172167
Energy: 0.5846182261290453
Energy: 0.5945981669479368
Energy: 0.625787478435157
Energy: 0.6343800592937763
Energy: 0.707836522673459
Energy: 0.5364881749263656
Energy: 0.5779333320497828
Energy: 0.6241065653051903
Energy: 0.6475959285572521
Energy: 0.5940795839362206
Energy: 0.5672820679189176
Energy: 0.6929472265335073
Energy: 0.6572117602429506
Energy: 0.6152366939133792
Energy: 0.5493189240448428
Energy: 0.7156543359118082
Energy: 0.6507257186644602
Energy: 0.6555875098269561
Energy: 0.6358525247895891
Energy: 0.6719718654246846
Energy: 0.6100643210528007
Energy: 0.580540911170245
Energy: 0.6448186914629145
Energy: 0.674289034627134
Energy: 0.6224015567439815
Energy: 0.5803189055240341
Energy: 0.5782153251933158
Energy: 0.6026267058201008
Energy: 0.6914210518594973
Energy: 0.6569630473476374
Energy: 0.5358019220730823
Energy: 0.5813498991297912
Energy: 0.5770613665187566
Energy: 0.4927863036981639
Energy: 0.6094863498424432
Energy: 0.5680319633897404
Energy: 0.5811553781009268
Energy: 0.5769521839897606
Energy: 0.7297865253278198

minimum gb energy = 0.4923782574846861 eV
minimum distance =  2.44854241618902 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.5305966323332548
Energy: 0.5450424445110403
Energy: 0.5578984298004884
Energy: 0.6711480687106429
Energy: 0.730967951223089
Energy: 0.5553251307259303
Energy: 0.5488788287735252
Energy: 0.6759591314090241
Energy: 0.6541971401933435
Energy: 0.5357055752923943
Energy: 0.5642901875566485
Energy: 0.5507498859693165
Energy: 0.5575502877918866
Energy: 0.5602410591420321
Energy: 0.6315320740934423
Energy: 0.7056458485795549
Energy: 0.5472591260015441
Energy: 0.5637331656859608
Energy: 0.5594604451676543
Energy: 0.5833376118338687
Energy: 0.7670111852727095
Energy: 0.7670774675085291
Energy: 0.5624265855533304
Energy: 0.6170713268469904
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Energy: 0.7670094810180466
Energy: 0.7672952589441654
Energy: 0.5713604469535123
Energy: 0.6172290122287448
Energy: 0.5928393517692044
Energy: 0.5867892503275992
Energy: 0.5721532461966233
Energy: 0.5767630752663305
Energy: 0.6201372336792436
Energy: 0.5988670841223999
Energy: 0.559745512413147
Energy: 0.5615809350010647
Energy: 0.5827621416345096
Energy: 0.6209003885867079
Energy: 0.5626105319719598
Energy: 0.5482078215885156
Energy: 0.5581930407488568
Energy: 0.6816931051680258
Energy: 0.5596098914937657
Energy: 0.5617473608246313
Energy: 0.5567606018303689
Energy: 0.5529055514180787
Energy: 0.6843424355467048
Energy: 0.5566278620526294
Energy: 0.5578115936611034
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Energy: 0.5525483595300834
Energy: 0.562105843940262
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Energy: 0.562970543535558
Energy: 0.5641825204991974
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Energy: 0.6262382039903004
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Energy: 0.7673156669873025
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Energy: 0.5671426451537012
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Energy: 0.6896392729041216
Energy: 0.5785393253246359
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Energy: 0.6384404370166598
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Energy: 0.5679555024401476
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Energy: 0.607009290052479
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Energy: 0.5741257934887641
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Energy: 0.6003544492449843
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Energy: 0.5758399765844525
Energy: 0.7037486568094229
Energy: 0.6758646292244317
Energy: 0.6846262984880416
Energy: 0.5547713507175186
Energy: 0.67735174628587
Energy: 0.7059376729966688
Energy: 0.6751246560109626
Energy: 0.5692497149371823
Energy: 0.5621109083544321
Energy: 0.6670792037641877
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Energy: 0.6837649890454292
Energy: 0.5566031640036716
Energy: 0.5651644376232425
Energy: 0.564255147140193
Energy: 0.5879470631046031
Energy: 0.6800844392429506
Energy: 0.5614511003013308
Energy: 0.580104987054529
Energy: 0.5760373486300234
Energy: 0.563128929035693
Energy: 0.6185700010431922
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Energy: 0.5916835918483799
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Energy: 0.5825193769433124
Energy: 0.5775006353469646
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minimum gb energy = 0.5305966323332548 eV
minimum distance =  2.52323709663922 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6157206634016449
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Energy: 0.628551420905301
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Energy: 0.6920390216244943
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Energy: 0.6886157009979526
Energy: 0.628459695371613
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Energy: 0.6313608255584736
Energy: 0.6501562838914526
Energy: 0.8722364968247129
Energy: 0.661719975370063
Energy: 0.6442233821103084
Energy: 0.6274994640100362
Energy: 0.6491935933899969
Energy: 0.6737873939689464
Energy: 0.6407324434964851
Energy: 0.6432827696044963
Energy: 0.6411662887257619
Energy: 0.6277718483037209
Energy: 0.6585121071138634
Energy: 0.6517515127893443
Energy: 0.6351720940102251
Energy: 0.669312823535667
Energy: 0.6328574048840074
Energy: 0.6297577574121662
Energy: 0.6273210804244841
Energy: 0.6260897681230855
Energy: 0.6274389736395598
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Energy: 0.6300420740156488
Energy: 0.6242556947888925
Energy: 0.6184127564103171
Energy: 0.6737843284364776
Energy: 0.5955535864805476
Energy: 0.6579907415373693
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Energy: 0.6306761196297395
Energy: 0.6302055820685837
Energy: 0.6282789799103633
Energy: 0.6839320661895641
Energy: 0.6322401118040902
Energy: 0.629303063019739
Energy: 0.6296744945469556
Energy: 0.6282721376272165
Energy: 0.6673955932893975
Energy: 0.5979355449548759
Energy: 0.635951358422505
Energy: 0.6422701491179791
Energy: 0.629597473221081
Energy: 0.6545394633968457
Energy: 0.6140623294197517
Energy: 0.636152073346252
Energy: 0.6626688093226522
Energy: 0.6341681393359778
Energy: 0.663031681621447
Energy: 0.6463840650899882
Energy: 0.6961318421575343
Energy: 0.6989075351624245
Energy: 0.6461671729418278
Energy: 0.5857105882457226
Energy: 0.7159451400072441
Energy: 0.697722913214742
Energy: 0.6977750998029456
Energy: 0.7006198098975737
Energy: 0.6296627704898566
Energy: 0.6043823570246788
Energy: 0.5984162011498224
Energy: 0.6125236979306956
Energy: 0.5590214425657459
Energy: 0.6172283524025566
Energy: 0.5984876480165203
Energy: 0.593609979167498
Energy: 0.6258939136748364
Energy: 0.6512915921533222
Energy: 0.6285721044379323
Energy: 0.592809823805435
Energy: 0.5875056558444227
Energy: 0.587810820065499
Energy: 0.6290172205129689
Energy: 0.6476763242500466
Energy: 0.5980117408695695
Energy: 0.5833266436136371
Energy: 0.6021507600237083
Energy: 0.6537331168552586

minimum gb energy = 0.5478835503067172 eV
minimum distance =  2.47055485796121 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7331598617380766
Energy: 0.6312811885672563
Energy: 0.5887061026511844
Energy: 0.6248616223647662
Energy: 0.630601970608233
Energy: 0.6936604405290424
Energy: 0.624957624044861
Energy: 0.6636060231780314
Energy: 0.6395562762081967
Energy: 0.631066568667482
Energy: 0.664123722665839
Energy: 0.670673097751366
Energy: 0.6247626987709884
Energy: 0.6234527009506333
Energy: 0.637234380861759
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Energy: 0.6749589983966702
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Energy: 0.6487971221843185
Energy: 0.66559468048779
Energy: 0.6083721060808409
Energy: 0.6722619330014653
Energy: 0.6458599507825574
Energy: 0.646342527466516
Energy: 0.6305226700387058
Energy: 0.6201996594599206
Energy: 0.6658321965383445
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Energy: 0.6304209605690071
Energy: 0.7159465535099511
Energy: 0.6602299735153695
Energy: 0.628826420094912
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Energy: 0.6322641460798709
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Energy: 0.6837242583374121
Energy: 0.6761499232111257
Energy: 0.6360226602399912
Energy: 0.636407401730078
Energy: 0.6300109945866719
Energy: 0.6308653690864962
Energy: 0.5943199696073387
Energy: 0.6440053973739222
Energy: 0.6467607287256825
Energy: 0.6365729480012696
Energy: 0.649791486098307
Energy: 0.59222391458126
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Energy: 0.6350688695907807
Energy: 0.6373100200068964
Energy: 0.6202804851806577
Energy: 0.6765298120376357
Energy: 0.5948335211548479
Energy: 0.7122396167934598
Energy: 0.7353516735901712
Energy: 0.6750022051842615
Energy: 0.6691612351764021
Energy: 0.6118915107892722
Energy: 0.7153718026401732
Energy: 0.7345045375843396
Energy: 0.6773634379852745
Energy: 0.6614156595278211
Energy: 0.6073619393753494
Energy: 0.6085609866414702
Energy: 0.6306512582732354
Energy: 0.6508925411432425
Energy: 0.6500176969654206
Energy: 0.6166145406300944
Energy: 0.6148842769805453
Energy: 0.6302289008844986
Energy: 0.6234435670072433
Energy: 0.6322625561341261
Energy: 0.6089604045755617
Energy: 0.6096706819041421
Energy: 0.5822872199864866
Energy: 0.62338225784223
Energy: 0.6175511772224609
Energy: 0.6131320787458915
Energy: 0.6212099975808351
Energy: 0.6248614519230168
Energy: 0.6073438417290652
Energy: 0.7910098945756852
Energy: 0.6585535166006518
Energy: 0.5777503089418339
Energy: 0.6177259710252043
Energy: 0.6176318539822572
Energy: 0.7626590580888909
Energy: 0.6223400915770733
Energy: 0.5766036210632961
Energy: 0.6196293470374864
Energy: 0.643484935986757
Energy: 0.6739142785562591
Energy: 0.6763178579368039
Energy: 0.59722746410868
Energy: 0.6161364042976415
Energy: 0.6304059659931541
Energy: 0.6374060317575941
Energy: 0.6511238786070339
Energy: 0.5903583448043478
Energy: 0.645987085649691

minimum gb energy = 0.5766036210632961 eV
minimum distance =  2.54831051327347 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.6548260890604646
Energy: 0.5707337663077756
Energy: 0.5786861880924123
Energy: 0.5575002499449714
Energy: 0.571672026446153
Energy: 0.5745309300362665
Energy: 0.5568149006019001
Energy: 0.5778872760704968
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Energy: 0.6926526472703948
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Energy: 0.5507079761919916
Energy: 0.5493736235538162
Energy: 0.6217576330681691
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Energy: 0.6121062133761013
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Energy: 0.5728634630846244
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Energy: 0.574613357794231
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Energy: 0.5717338464084266
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Energy: 0.5751741885670952
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Energy: 0.6737316694140538
Energy: 0.6119520827874843
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Energy: 0.5720293556416004
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Energy: 0.5713042117414466
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Energy: 0.6127782764762674
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Energy: 0.5462280914553097
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Energy: 0.5788631858375641
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Energy: 0.5732062747973325
Energy: 0.6512697523931922
Energy: 0.6039085991222949
Energy: 0.6141108384649562
Energy: 0.6192579912858408
Energy: 0.5753920167847196
Energy: 0.5721029368530017
Energy: 0.6257991370294882
Energy: 0.6213143256210703
Energy: 0.6006475597443021
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Energy: 0.572082868881799
Energy: 0.5890058183120057
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Energy: 0.6213662037060121
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Energy: 0.5711790790714408
Energy: 0.5713762685831081
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Energy: 0.5731694604858601
Energy: 0.623198671046586
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Energy: 0.6055777569929256
Energy: 0.5748103530169307
Energy: 0.5730655081760809
Energy: 0.6205982096979583
Energy: 0.5740424362434178
Energy: 0.6054801754674104
Energy: 0.619581840104747
Energy: 0.6664812005762968
Energy: 0.5491036430156381
Energy: 0.547650373137414
Energy: 0.5463064731533591
Energy: 0.6259874186404948
Energy: 0.7791631560229149
Energy: 0.5489622990469079
Energy: 0.5479432293915615
Energy: 0.5463395066610983
Energy: 0.5770559118252035
Energy: 0.7566306310339243
Energy: 0.5484688693116634
Energy: 0.5549417317415316
Energy: 0.5484040547335031
Energy: 0.5779463992362494
Energy: 0.6695735632442689
Energy: 0.5483406844789993
Energy: 0.5766339638859374
Energy: 0.5473600884159232
Energy: 0.572084776946037
Energy: 0.5729894537716583
Energy: 0.5694847532929922
Energy: 0.575164657555467
Energy: 0.5494689366649874
Energy: 0.621732608471055
Energy: 0.5731748907423382
Energy: 0.5691333329560818
Energy: 0.5749572806037098
Energy: 0.5493270504843686
Energy: 0.6158831954417164
Energy: 0.5461697079035518
Energy: 0.5731726064175454
Energy: 0.5783000617392928
Energy: 0.5744287008247378
Energy: 0.6163925056321286
Energy: 0.5462247318918703
Energy: 0.5682566460594992
Energy: 0.579602183803944
Energy: 0.5798551963381273

minimum gb energy = 0.5243205008840057 eV
minimum distance =  2.58759196692856 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.4120476224012543
Energy: 0.5843538366958914
Energy: 0.5559516263687838
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Energy: 0.572578908614331
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Energy: 0.3491330639414196
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Energy: 0.3740720364460726
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Energy: 0.33228218106313123
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Energy: 0.45019461643883185
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Energy: 0.4896138245106098
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Energy: 0.29493882851590225
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Energy: 0.4691232155429186
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Energy: 0.5448838859299672
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Energy: 0.33113925481935763
Energy: 0.45767926697125977
Energy: 0.5461366017068492
Energy: 0.4447655347475743
Energy: 0.436466331418425
Energy: 0.3069323601833019
Energy: 0.5064306995883788
Energy: 0.5693186810986406
Energy: 0.45964557740015854
Energy: 0.44151973978810616
Energy: 0.45379319722728206
Energy: 0.4931296427761476
Energy: 0.5762740488001796
Energy: 0.43170712667537736
Energy: 0.3284555647314765
Energy: 0.43958707823318555
Energy: 0.4417809877946224
Energy: 0.5074191939392034
Energy: 0.47897095367517906
Energy: 0.35075606063507253
Energy: 0.43878537820093216
Energy: 0.5783447317958358
Energy: 0.5614913550941704
Energy: 0.31457458021244483
Energy: 0.3174884347748293
Energy: 0.5222923005830845
Energy: 0.5845175032925162
Energy: 0.5094903222321274
Energy: 0.36830905265835195
Energy: 0.3711668635889534
Energy: 0.5276643521080108
Energy: 0.5510988075617395
Energy: 0.540781590334026
Energy: 0.443117055557951
Energy: 0.43820656648606127
Energy: 0.5413841497887326
Energy: 0.5661414371399274
Energy: 0.4278486988321013
Energy: 0.41575329528817034
Energy: 0.442562441550848
Energy: 0.5444689435737585
Energy: 0.5737336528310303
Energy: 0.5361943508062399
Energy: 0.4154380249366528
Energy: 0.4836691429227391
Energy: 0.5829593931398065
Energy: 0.5502872844219877
Energy: 0.45994546169106054
Energy: 0.31562078808504906
Energy: 0.4856863587699132
Energy: 0.5632024512284084
Energy: 0.5903820258376932
Energy: 0.41271819221692396

minimum gb energy = 0.29490533274553327 eV
minimum distance =  2.64465544280595 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7497689188650478
Energy: 0.5298614964126556
Energy: 0.535439624277213
Energy: 0.502352737869662
Energy: 0.5806146117416536
Energy: 0.7434013286197515
Energy: 0.520442433991653
Energy: 0.5202224755383051
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Energy: 0.5866233403205008
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Energy: 0.5161486481993968
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Energy: 0.5010036724262455
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Energy: 0.5169745200001069
Energy: 0.5126926445253716
Energy: 0.5322123890832352
Energy: 0.521428108772668
Energy: 0.6245496031701281
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Energy: 0.5222077353207296
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Energy: 0.517027092586664
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Energy: 0.5678322829591512
Energy: 0.5616950374211577
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Energy: 0.5390911055303946
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Energy: 0.5960175497981698
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Energy: 0.5352107863312351
Energy: 0.5841869364841151
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Energy: 0.5704635979346242
Energy: 0.52922761507929
Energy: 0.5291416172522398
Energy: 0.5728679129973702
Energy: 0.5748090277625627
Energy: 0.5697912551559184
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Energy: 0.5723255449132895
Energy: 0.5483085015723527
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Energy: 0.5723424451299908
Energy: 0.5689923813684807
Energy: 0.5214441961387327
Energy: 0.5271983253035484
Energy: 0.5200343709113592
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Energy: 0.5264987874608713
Energy: 0.5094946087432363
Energy: 0.5350902450239307
Energy: 0.5202401103235336
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Energy: 0.5178658213398617
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Energy: 0.5936909277429651
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Energy: 0.5124416502647173
Energy: 0.5478608685920431

minimum gb energy = 0.4966481068828681 eV
minimum distance =  2.49644188354415 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.8065333035663121
Energy: 0.6708516857297079
Energy: 0.616793868289427
Energy: 0.629340950063818
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Energy: 0.6138354637502972
Energy: 0.7055527603933581
Energy: 0.6392006358086081
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Energy: 0.6717680038574011
Energy: 0.6581819713408614
Energy: 0.6664525927115144
Energy: 0.6395390300026259
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Energy: 0.6706501432953572
Energy: 0.6120558825483757
Energy: 0.6672203797269136
Energy: 0.6578796655670776
Energy: 0.6397028406911811
Energy: 0.6225810913174076
Energy: 0.6441194985296865
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Energy: 0.6696241474629863
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Energy: 0.6226952066164031
Energy: 0.6493707568636237
Energy: 0.6588825323504974
Energy: 0.6633797108686824
Energy: 0.6577153209669079
Energy: 0.5891239534299813
Energy: 0.5897063770356895
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Energy: 0.6871297478586151
Energy: 0.6379164198222873
Energy: 0.583637080772026
Energy: 0.5892301741397906
Energy: 0.6444617776719267

minimum gb energy = 0.5705531821568421 eV
minimum distance =  2.57459945649315 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.9188300522766072
Energy: 0.6845140147248774
Energy: 0.7049182590620068
Energy: 0.677154073930788
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Energy: 0.9193973720102686
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Energy: 0.7163492819675679
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Energy: 0.7477194187523939
Energy: 0.7597699367606451
Energy: 0.7167610614243165
Energy: 0.6894844163549106
Energy: 0.660876917610517
Energy: 0.7364111874848973
Energy: 0.8413760951691807
Energy: 0.7162396949341887
Energy: 0.7294156070044941
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Energy: 0.6248210044923465
Energy: 0.6462245014946731
Energy: 0.7121908584111103
Energy: 0.6861494386067131
Energy: 0.7665222198222051
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minimum gb energy = 0.6106397596754278 eV
minimum distance =  2.48729280488012 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.8063925052953612
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Energy: 0.6096676919603945
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Energy: 0.8064675927604363
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Energy: 0.6365213551612185
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Energy: 0.6652383451837313
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Energy: 0.6127251947093274
Energy: 0.6560201880610277
Energy: 0.6119511740704661
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Energy: 0.6319131362151321
Energy: 0.6285988282633559
Energy: 0.6594018383997085
Energy: 0.6842530732973442
Energy: 0.5953851054707789
Energy: 0.6314332626942837
Energy: 0.6288264268196203
Energy: 0.689295630730609
Energy: 0.6832564017228602
Energy: 0.5952525053027914
Energy: 0.6414301475597092
Energy: 0.6106373134146174
Energy: 0.6219403391201622
Energy: 0.6594138108664478
Energy: 0.6259740345182492
Energy: 0.6421592750403085
Energy: 0.6101821066880629
Energy: 0.6553501793117873
Energy: 0.6926532142042827
Energy: 0.6303777785345587
Energy: 0.6098268611692723
Energy: 0.6404439879966581
Energy: 0.6609457370845233
Energy: 0.7824712865791094
Energy: 0.6726046941813627
Energy: 0.6115859050126109
Energy: 0.6397763944757022
Energy: 0.6604200736262894
Energy: 0.7757800381182108
Energy: 0.6731318488085556
Energy: 0.6409203632727547
Energy: 0.6209775704980546
Energy: 0.6412679345049875
Energy: 0.6479892526897955
Energy: 0.6872525027169017
Energy: 0.6195436322427786
Energy: 0.6229050289984477
Energy: 0.6863730318594856
Energy: 0.6490886969271573
Energy: 0.6874549819194093
Energy: 0.6126960773559131
Energy: 0.6405853249621469
Energy: 0.6869107064460861
Energy: 0.6736617809431887
Energy: 0.6890893678155445
Energy: 0.695509023301627
Energy: 0.640493154817575
Energy: 0.6867067889616837
Energy: 0.6775644558103916
Energy: 0.689863970327305
Energy: 0.7115686150364824
Energy: 0.6455940916173278
Energy: 0.7352888457503616
Energy: 0.6097291994051299
Energy: 0.6330893275481402
Energy: 0.808627024263968
Energy: 0.6578784030670853
Energy: 0.7203787843891923
Energy: 0.6100691406009423
Energy: 0.6017687767121845

minimum gb energy = 0.5932199680477608 eV
minimum distance =  2.52985153290889 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5494060827477301
Energy: 0.5491769595544302
Energy: 0.6056804899868443
Energy: 0.6458334570975671
Energy: 0.5494132868370829
Energy: 0.549801552710506
Energy: 0.5589975550307121
Energy: 0.605791906777193
Energy: 0.6458356863411127
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Energy: 0.6461947067065835
Energy: 0.5611113397466462
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Energy: 0.5493660538773286
Energy: 0.6469832971265379
Energy: 0.6010344323625951
Energy: 0.5622486221226632
Energy: 0.6565724120720352
Energy: 0.5599808421451437
Energy: 0.6054674484410966
Energy: 0.5850892530236094
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Energy: 0.6562362643583315
Energy: 0.5599300788866586
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Energy: 0.606039466929364
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Energy: 0.5612685808801124
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Energy: 0.5493037558487472
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Energy: 0.5541242994445161
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Energy: 0.6513757207718717
Energy: 0.5852780515847886
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Energy: 0.5531249197132382
Energy: 0.5591717068881684
Energy: 0.5596577609458863
Energy: 0.5843073196367466
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Energy: 0.5490814202277283
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Energy: 0.5596324952510183
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Energy: 0.5608921622299956
Energy: 0.5607858258868763
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Energy: 0.5596890528464048
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Energy: 0.6054798737491391
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Energy: 0.5497304559480594
Energy: 0.5494860607669958
Energy: 0.5615089112732182
Energy: 0.5840059036109716
Energy: 0.6462707860379299
Energy: 0.5492505984839371
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Energy: 0.5595569224846797
Energy: 0.5598773324740004
Energy: 0.6544780444072053
Energy: 0.5493041226226744
Energy: 0.5493552855422128
Energy: 0.5589751929009288
Energy: 0.5597111414073652
Energy: 0.645948017961027
Energy: 0.606003451583388
Energy: 0.6567545771079958
Energy: 0.5610621621314392
Energy: 0.5493682410800317
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Energy: 0.6056978154889676
Energy: 0.6571875171753057
Energy: 0.5594106902104338
Energy: 0.5494283567772289
Energy: 0.5593674327948395
Energy: 0.5540324720368525
Energy: 0.5593556917530825
Energy: 0.6513426467004952
Energy: 0.5854005915961625
Energy: 0.5588503274511845
Energy: 0.5531097218693319
Energy: 0.5594687645447057
Energy: 0.5595027249241618
Energy: 0.5844401869027328
Energy: 0.6006061822308303
Energy: 0.585024387177602
Energy: 0.5600671078830193
Energy: 0.549253401064976
Energy: 0.5491919725431597
Energy: 0.5587653868167402
Energy: 0.6714375995375557
Energy: 0.559982435891723
Energy: 0.5491064313139905
Energy: 0.549316258808441
Energy: 0.5596671447155314
Energy: 0.5493585892035958
Energy: 0.64683675312225
Energy: 0.5496295353097791
Energy: 0.5857931616851898
Energy: 0.5598594263195741
Energy: 0.5605253233703135
Energy: 0.5608089903258817
Energy: 0.5495926878976443
Energy: 0.5592330940310192
Energy: 0.5600345795474685
Energy: 0.5597369766407407
Energy: 0.6725249626136445
Energy: 0.559041008739638
Energy: 0.6568537836227273
Energy: 0.5595440986609059
Energy: 0.5596224483024498
Energy: 0.6713196826721017
Energy: 0.5592276464201965
Energy: 0.6563555781906508
Energy: 0.5493336968079278
Energy: 0.5590709340559671
Energy: 0.5603130795835602
Energy: 0.6049272203588576
Energy: 0.5587337919600851
Energy: 0.5493790735157346
Energy: 0.5588706257146574
Energy: 0.5531269150579032
Energy: 0.5587417188553264
Energy: 0.5850740558988563

minimum gb energy = 0.5490814202277283 eV
minimum distance =  2.55584867961372 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.0034345129317201
Energy: 0.6327022196492189
Energy: 0.6312049751489961
Energy: 0.6713815687984371
Energy: 0.5914073040515399
Energy: 0.5867021168526595
Energy: 0.5868176829167709
Energy: 0.68634658201597
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Energy: 0.6257211999287068
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Energy: 0.5995072779875884
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Energy: 0.5965080931846205
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Energy: 0.6932386610389031
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Energy: 0.6651583308943638
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Energy: 0.6018138268283598
Energy: 0.6089591141133401
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Energy: 0.6464090297777526
Energy: 0.6464278874215347
Energy: 0.6505699378434026
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Energy: 0.6193707659798702
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Energy: 0.6111080958163003
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Energy: 0.6371897367026821
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Energy: 0.7160244402175202
Energy: 0.6482289735939171
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Energy: 0.6301648903162652
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Energy: 0.6663644442958833
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Energy: 0.7175000199968101
Energy: 0.6690972039824432
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Energy: 0.7607539613279375
Energy: 0.6079292569534533
Energy: 0.6719239727987407
Energy: 0.7033632880698014
Energy: 0.6116642662654675
Energy: 0.607680754789865
Energy: 0.6079288757215916
Energy: 0.6853968055145282
Energy: 0.7132448478192566
Energy: 0.6059058385629289
Energy: 0.6036963617198602
Energy: 0.6103894490021848
Energy: 0.6127782629779982
Energy: 0.6432620432603031
Energy: 0.6742065606069173
Energy: 0.6038076677029157
Energy: 0.5999786309311222
Energy: 0.6132426171868661
Energy: 0.6511127882838301
Energy: 0.6856078761740607
Energy: 0.6096224882953166
Energy: 0.6050467354994178
Energy: 0.7002569742633906
Energy: 0.6398374424553149
Energy: 0.6082742531774806
Energy: 0.6353077834021186
Energy: 0.705965872488076
Energy: 0.6855516389435504
Energy: 0.6275907600876207
Energy: 0.6022224691430074
Energy: 0.6563441365986025
Energy: 0.7186779641311267
Energy: 0.6023288764057566
Energy: 0.6052994618803825
Energy: 0.6860812861894214
Energy: 0.7512918753759789
Energy: 0.5937492625557176
Energy: 0.6227644557250623
Energy: 0.607402410808396
Energy: 0.6828071228720376
Energy: 0.7508807412244929
Energy: 0.6029839469934918
Energy: 0.6084631054304411
Energy: 0.6033934901304329
Energy: 0.6119784548708153
Energy: 0.6202042631052034
Energy: 0.6550909007603717
Energy: 0.6146736814889805
Energy: 0.6101415954691155
Energy: 0.609612850066675
Energy: 0.6903516331694494
Energy: 0.6617425313928623
Energy: 0.6123716234444633
Energy: 0.587171714023462
Energy: 0.672450173757292
Energy: 0.6674540272345927
Energy: 0.6779146901504779
Energy: 0.5874145550410779
Energy: 0.6491945140795762
Energy: 0.6710710564038066
Energy: 0.602951478658786
Energy: 0.6842752101615158
Energy: 0.6314703152625953
Energy: 0.6979860968725516
Energy: 0.7267829596393743
Energy: 0.6247763807248823
Energy: 0.5843860047526591
Energy: 0.58975254177041
Energy: 0.700020738431819
Energy: 0.7436340048289078
Energy: 0.6247872963508593
Energy: 0.6318329240268312

minimum gb energy = 0.5843860047526591 eV
minimum distance =  2.51912840554543 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.7688546248214602
Energy: 0.579391402798563
Energy: 0.6400079347456783
Energy: 0.5636875282231424
Energy: 0.5777060547877342
Energy: 0.7694284164812881
Energy: 0.5727551442607909
Energy: 0.6397722439136712
Energy: 0.5638783503942031
Energy: 0.6780323423003938
Energy: 0.5599975463378866
Energy: 0.6889177617159515
Energy: 0.6537967709205615
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Energy: 0.7298039239560075
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Energy: 0.7263504754380719
Energy: 0.6299907655140479
Energy: 0.6232996684225451
Energy: 0.6301599466021709
Energy: 0.7312518028339821
Energy: 0.6353093476342812
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Energy: 0.7317774061893496
Energy: 0.6213882651335784
Energy: 0.6076315827776703
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Energy: 0.6237483729012215
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Energy: 0.6815755106752269
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Energy: 0.6091518288790689
Energy: 0.6177034811589511
Energy: 0.6126973193096615
Energy: 0.6610202827284117
Energy: 0.6203661197999976
Energy: 0.6206354530020056
Energy: 0.7123921914180644
Energy: 0.7247221818467642
Energy: 0.6302401353874818
Energy: 0.6201327182737851
Energy: 0.6315819182192868
Energy: 0.7131497882577824
Energy: 0.7220061487869023
Energy: 0.590946140263025
Energy: 0.7127253851551976
Energy: 0.6583687441756284
Energy: 0.7293662139263037
Energy: 0.6333572614037898
Energy: 0.59111597288326
Energy: 0.710644191326006
Energy: 0.6847054352891415
Energy: 0.7289307670864615
Energy: 0.6318849243619208
Energy: 0.6152636084134124
Energy: 0.7095000139706733
Energy: 0.5643430309050989
Energy: 0.7921854089822471
Energy: 0.7331248852161114
Energy: 0.6208284517119093
Energy: 0.7091885524057757
Energy: 0.5647677813857818
Energy: 0.79154993384429
Energy: 0.7365473766301818
Energy: 0.5649502895999271
Energy: 0.565715581116784
Energy: 0.5681728412739567
Energy: 0.7738354468001772
Energy: 0.5631139362890801
Energy: 0.5645318711341061
Energy: 0.5663465263452746
Energy: 0.5677312099963416
Energy: 0.7743221008607516
Energy: 0.6127443503120541
Energy: 0.5672454155631201
Energy: 0.5724299199746491
Energy: 0.5636923282367536
Energy: 0.7691545469027087
Energy: 0.5648203928968756
Energy: 0.569157797093521
Energy: 0.5711826591722516
Energy: 0.5661166852620774
Energy: 0.6772279818425485
Energy: 0.5640218099492887
Energy: 0.5652646169918821
Energy: 0.6327646972478016
Energy: 0.7137966848914207
Energy: 0.7252749957181717
Energy: 0.6605912235198158
Energy: 0.5656278629899103
Energy: 0.6316357171179665
Energy: 0.7123616605998718
Energy: 0.7362521229333656
Energy: 0.6307793536399839
Energy: 0.6506644130474925
Energy: 0.5655036942123532
Energy: 0.734154948868612
Energy: 0.563141118204929
Energy: 0.5781808172864654
Energy: 0.6509599223467409
Energy: 0.681981056196601
Energy: 0.7337698300029414
Energy: 0.5627541553159574
Energy: 0.6782669127651723

minimum gb energy = 0.5599975463378866 eV
minimum distance =  2.49529320433726 Angstroms
sigma value = 33