Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_001
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=3.611098513007164
cohesive_energy=4.242432871230321
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.73183642732292e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.020083763318590398
Energy: 0.5308632468595822
Energy: 0.889017293690903
Energy: 0.7757336816093587
Energy: 0.7707355404071696
Energy: 0.2917529887104505
Energy: 0.02108173566555107
Energy: 0.0737444685469959
Energy: 0.4751904184782849
Energy: 0.1283311060247962
Energy: 0.08643099479995778
Energy: 0.48140034232042334
Energy: 0.021616396821029407
Energy: 0.07536753436687527
Energy: 0.02064568123246294
Energy: 0.47564713611060266
Energy: 0.5885781552994716
Energy: 0.4459238127191057
Energy: 0.4753805484115958
Energy: 0.07362445405632982
Energy: 0.07512783429429488
Energy: 0.02249419390717842
Energy: 0.499659893416996
Energy: 0.22364622829805653
Energy: 0.5037037498419433
Energy: 0.5056538440745871
Energy: 0.07426985142025012
Energy: 0.021219373199081966
Energy: 0.07458351581295203
Energy: 0.5085276985063557
Energy: 0.15232054786502083
Energy: 0.08716749905480765
Energy: 0.4727359455789307
Energy: 0.02113523702749896
Energy: 0.07550351092419438
Energy: 0.02050922318487272
Energy: 0.47255761366730475
Energy: 0.3096382322575062
Energy: 0.4733473655851541
Energy: 0.4750962263698949
Energy: 0.0735329875085769
Energy: 0.07551163528954477

minimum gb energy = 0.020083763318590398 eV
minimum distance =  2.5275189283169 Angstroms
sigma value = 5


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

Energy: 1.018224502596121
Energy: 1.151556589458359
Energy: 0.9150512874751205
Energy: 1.0476047721584492
Energy: 0.9739177883359651
Energy: 0.9123444903007731
Energy: 1.019302226139129
Energy: 0.8743369293115394
Energy: 0.930838003601991
Energy: 0.8793518632225508
Energy: 0.8589382038055667
Energy: 0.8218253852967451
Energy: 0.8550796408213205
Energy: 0.8777478735297628
Energy: 0.9426627109463012
Energy: 0.8686647501835909
Energy: 0.7992859486331568
Energy: 0.9242042593367054
Energy: 0.853053222977558
Energy: 0.7988598762735832
Energy: 0.9674749485172708
Energy: 0.9124861184585441
Energy: 0.8803150795208508
Energy: 0.8692940204931778
Energy: 0.9692014412824677
Energy: 0.9144400934441791
Energy: 0.9759385443967666
Energy: 0.9126976440006996
Energy: 0.9027999987159477
Energy: 0.8314454415365914
Energy: 1.0210422868461488
Energy: 0.9484854795592396
Energy: 0.9174284087172416
Energy: 1.049868680472889
Energy: 0.9788383994679123
Energy: 0.9979798697881822
Energy: 0.877084492521975
Energy: 1.055753988314912
Energy: 0.8805863083571626
Energy: 0.8413377862930471
Energy: 0.936604924558487
Energy: 0.9104546889751938
Energy: 1.024127582101913
Energy: 0.8868875724660126
Energy: 0.9826143836077218
Energy: 0.964885488145092
Energy: 0.9266230717822849
Energy: 0.8967692766233114
Energy: 0.8354797566720304
Energy: 1.0209798015821245
Energy: 0.9525824410739435
Energy: 0.83777542197772
Energy: 0.9353880698064132
Energy: 0.9113893265608639
Energy: 0.8928362532905112
Energy: 0.9397119418323954
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Energy: 0.9015010044765863
Energy: 0.85828734714217
Energy: 0.7995319382416016
Energy: 0.8214344041497262
Energy: 0.8910657164483504
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Energy: 0.9584506905307039
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Energy: 0.8628031219236083
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Energy: 0.8559092086274309
Energy: 0.8704807459097866
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Energy: 0.8734558584724192
Energy: 0.8264830862190489
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Energy: 0.887407476875964
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Energy: 0.8768902505051374
Energy: 0.9615919510331726
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Energy: 0.7597696964507095
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Energy: 0.9900116804919568
Energy: 0.9397137997046505
Energy: 0.9002911912925045
Energy: 0.916701210959658
Energy: 0.8920112846707854
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Energy: 0.8170396018643025
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Energy: 0.7551812225063944
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Energy: 0.8767780656360417
Energy: 0.92248957899301
Energy: 0.9554454027380997
Energy: 0.8962595524706459
Energy: 0.9344469321477041
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Energy: 0.8709877654403749
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Energy: 0.9063370317349445
Energy: 0.8879602193425775
Energy: 0.8930047534003233
Energy: 0.8776033690443884
Energy: 0.8104183194708953
Energy: 0.9346258669972187
Energy: 0.9100160578108755
Energy: 0.9464497801132583
Energy: 0.838976206267208
Energy: 0.7983961803065737
Energy: 0.8606473633275904
Energy: 0.9579616460255665
Energy: 0.7997513447313139
Energy: 0.9623090994505551
Energy: 0.8957488785894969
Energy: 0.910526777903323
Energy: 0.8682449623999208
Energy: 0.9913505270864675
Energy: 0.9544927550030007
Energy: 0.9612060135630065
Energy: 0.8748991861534693
Energy: 0.8645392390147095
Energy: 0.880576247508459
Energy: 1.0034849490300457
Energy: 0.9041265637135903
Energy: 0.8080840965150472
Energy: 0.853026838555855
Energy: 0.8704063297894616
Energy: 0.9553330283503518
Energy: 0.8791683577622811
Energy: 1.0058337528605
Energy: 0.8834826903541851
Energy: 0.80741749789647
Energy: 1.0554760125398017
Energy: 0.8757889108424362
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Energy: 0.9417213959448005
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Energy: 0.8374997393365721
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Energy: 1.030425348591522
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Energy: 0.8641425246216073
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Energy: 0.8918959379631896
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Energy: 0.9802142596408255
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Energy: 0.9961399209897464
Energy: 1.0529651670871931
Energy: 0.833648335835063
Energy: 0.9420954273200315
Energy: 0.8539314021089587
Energy: 0.9528454624259897
Energy: 0.8780172366591316
Energy: 0.9023798566670955
Energy: 0.7805616446150898
Energy: 0.7892921343654329
Energy: 0.9715091604318284
Energy: 0.8812135351041513
Energy: 0.906460435620662
Energy: 0.8240883441382414
Energy: 0.9765555155215804
Energy: 0.9444142461297098
Energy: 0.9586121282348845
Energy: 0.8845129914152272
Energy: 0.8908776866492625
Energy: 0.9917046969798358
Energy: 0.9186547026559178
Energy: 0.9766927369566566
Energy: 1.0745345155109167
Energy: 0.9765769142380375
Energy: 0.8695556274957845
Energy: 0.8080325766919078
Energy: 0.8378536712289988
Energy: 0.8745913458979548
Energy: 0.8426669916114562
Energy: 0.9483166918365807
Energy: 0.8809210253042212
Energy: 0.9215708692178355
Energy: 0.8034505910223687
Energy: 0.9234991463986595
Energy: 0.8603914463293291
Energy: 0.87042755763172
Energy: 0.8255061044559319
Energy: 0.8761062447930754
Energy: 1.026058642568093
Energy: 0.9450667794263213
Energy: 0.9625863609727068
Energy: 0.9326194202120994
Energy: 0.8894057032601418
Energy: 1.0752021354447179
Energy: 0.8018330496280158
Energy: 0.8575528689778047
Energy: 0.8435796667857721
Energy: 0.8690148650518948
Energy: 0.8997379317694368
Energy: 0.8588619187579917
Energy: 0.8646272202256203
Energy: 0.8764437794962107
Energy: 0.9031916036352104
Energy: 0.8180461066929384
Energy: 0.8713335025170287
Energy: 0.8309971099804587
Energy: 0.793189211314903
Energy: 0.898765969866553
Energy: 0.8448663480579133
Energy: 0.8743413415499999
Energy: 0.8857199070529015
Energy: 0.8266876800284871
Energy: 0.9870353786930761
Energy: 0.8672169777199155
Energy: 0.9050670796977699
Energy: 0.9452611769230849
Energy: 0.8767150466840526
Energy: 0.8735927556713166
Energy: 0.8923439579447809
Energy: 0.9352215611385981
Energy: 0.9641695646210864
Energy: 0.8536812182157181
Energy: 0.9668607446720833

minimum gb energy = 0.7551812225063944 eV
minimum distance =  2.25114334986602 Angstroms
sigma value = 401


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

Energy: 1.1693385539601449
Energy: 1.16561982984791
Energy: 0.9200439338826594
Energy: 0.9434765160545904
Energy: 0.9422130761312644
Energy: 0.9279779394981857
Energy: 1.089614020342146
Energy: 0.9750460371695979
Energy: 0.7801951734509176
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Energy: 0.9150642256324222
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Energy: 0.8437253014099882
Energy: 0.9282189992528321
Energy: 0.9301159913930227
Energy: 0.9449915491190836
Energy: 0.8725232175115313
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Energy: 0.930171138012597
Energy: 0.9214195593089923
Energy: 0.8223922568314984
Energy: 0.8846455090627244
Energy: 0.8255496248808136
Energy: 0.8330486250342803
Energy: 0.876268481628141
Energy: 0.9494851951167996
Energy: 0.9044777125215948
Energy: 0.7456880631810433
Energy: 0.8972896108056718
Energy: 0.8070566994867442
Energy: 0.9011307913111092
Energy: 0.8462807120848028
Energy: 0.9733925613049458
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Energy: 0.8763009525005072
Energy: 0.9361853295667887
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Energy: 0.9572924886657673
Energy: 0.8623011419838944
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Energy: 0.8473401206045768
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Energy: 0.8785728233474456
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Energy: 0.9522046419399824
Energy: 0.8745006437527851
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Energy: 0.893900377452515
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Energy: 0.8836908107861158
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Energy: 0.887399836232889
Energy: 0.939092580982795
Energy: 0.7698301913797597
Energy: 0.9469272925563564
Energy: 0.8495126356470937
Energy: 0.8581772222156228
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Energy: 0.8660473786703581
Energy: 0.9572762462566444
Energy: 0.8056378895615319
Energy: 0.8218634137333471
Energy: 0.8185196730841657
Energy: 0.8890446084167528
Energy: 0.9565972344274711
Energy: 0.8923754996414323
Energy: 0.9656277851419007
Energy: 0.952773831487183
Energy: 0.8721745954790399
Energy: 0.8464611869841975
Energy: 0.8789309812975404
Energy: 0.9168973568870091
Energy: 0.9066013286591941
Energy: 0.9371312223037872
Energy: 0.8773830720928751
Energy: 0.8401354890236616
Energy: 0.8556941850573799
Energy: 0.9013634836083959
Energy: 0.905493237243614
Energy: 0.7837485210950451
Energy: 0.9635353516431189
Energy: 0.7912486242265748
Energy: 0.8417015078074557
Energy: 0.833785992937684
Energy: 0.8472586295961994
Energy: 0.84383648027835
Energy: 0.9289712862611238
Energy: 0.9124207820381958
Energy: 0.9468457856537
Energy: 0.8965591995473393
Energy: 0.9109737133203835
Energy: 0.8949766828239512
Energy: 0.8776034563779963
Energy: 0.9368567190129105
Energy: 0.9499544161096773
Energy: 0.7979177731101507
Energy: 0.8584912093338103
Energy: 0.878579907821712
Energy: 0.9120797472087497
Energy: 0.8650387021745077
Energy: 0.9306135580389227
Energy: 0.847291548725918
Energy: 0.8677771270542588
Energy: 0.8559610537787561
Energy: 0.9296645133372018
Energy: 0.872763808755921
Energy: 0.8224476490920778
Energy: 0.9191152551682785
Energy: 0.9852402675158018
Energy: 0.8528033533714958
Energy: 0.9782820437557107
Energy: 0.8733711957832214
Energy: 0.8432819189643642
Energy: 0.8890559149161132
Energy: 0.961809671628479
Energy: 0.9049364717434978
Energy: 0.9074699071615538
Energy: 0.9989392966891032
Energy: 0.900076101593853
Energy: 0.9339610738115894
Energy: 0.8584662548341111
Energy: 0.9336227067637531
Energy: 0.8235402829740193
Energy: 0.8842201679686511
Energy: 0.9704636859143636
Energy: 0.8661205673745211
Energy: 0.8467463110598863
Energy: 0.9207966159179871
Energy: 0.8679459044595673
Energy: 0.9667227229826697
Energy: 0.9948035968205634
Energy: 0.8855010150035982
Energy: 0.8309937873016934
Energy: 0.8994401543355107
Energy: 0.8716799633241934
Energy: 0.9961950502583563
Energy: 0.8438801008576857
Energy: 0.9682739290026402
Energy: 0.9171558738903713
Energy: 0.8654657851989702
Energy: 0.8073753417296802
Energy: 0.9408139217807061
Energy: 0.904958654303378
Energy: 0.8581132276256378
Energy: 0.8673677462656859
Energy: 0.8844840331645288
Energy: 0.8580146490994098
Energy: 0.8522224922752136
Energy: 0.9408234872620684
Energy: 0.9229089488469965
Energy: 0.9977918149427574
Energy: 0.86274274799301
Energy: 0.9174933333733982
Energy: 0.9384717485189938
Energy: 1.0082758324696246
Energy: 0.9648414328505379
Energy: 0.9788675805398911
Energy: 0.8911380330226413
Energy: 0.8600598243957083
Energy: 0.8879466122640685
Energy: 0.9995339757180769
Energy: 0.8492954057670974
Energy: 0.8676996561592607
Energy: 0.891203110779493
Energy: 0.9762797458066824
Energy: 0.7808094688495042
Energy: 0.8277765485931163
Energy: 0.9513099333308912
Energy: 0.7314226715409917
Energy: 0.8824268870518582
Energy: 0.8474692499487118

minimum gb energy = 0.7314226715409917 eV
minimum distance =  2.29163509212484 Angstroms
sigma value = 311


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

Energy: 0.9125810280331478
Energy: 0.8662233715818414
Energy: 0.9785815477324501
Energy: 0.9669454455051416
Energy: 0.9043662841964127
Energy: 0.9017597141541381
Energy: 0.9324267575186677
Energy: 0.8482998318303427
Energy: 0.9302986030313368
Energy: 0.8288584945338071
Energy: 0.9289273994019881
Energy: 0.9048490588929698
Energy: 0.8741895544871608
Energy: 0.9510767479239468
Energy: 0.907312987627277
Energy: 0.9064756929966253
Energy: 0.8779122487559501
Energy: 0.942173109061201
Energy: 0.8919788428351245
Energy: 1.0742832220248608
Energy: 0.8626667321969516
Energy: 0.845381456833035
Energy: 0.9443148984487021
Energy: 0.9555289739745718
Energy: 0.9245969604137979
Energy: 0.9415675729156123
Energy: 0.8004400886188674
Energy: 0.8401022886658965
Energy: 0.9641446573430736
Energy: 0.8452817815495387
Energy: 0.9169307565922857
Energy: 0.8733294423008232
Energy: 0.8816002848070894
Energy: 0.8492545435748288
Energy: 0.8274398664740839
Energy: 0.8520512589885786
Energy: 0.8237055651745651
Energy: 0.8798035145597408
Energy: 0.8509387185649055
Energy: 0.8661946099232797
Energy: 0.8480036979066352
Energy: 0.8037105511170067
Energy: 0.9193858829286029
Energy: 0.9262648470684817
Energy: 0.9075248467457042
Energy: 0.9198426283765846
Energy: 0.924241647558302
Energy: 0.8953748293906356
Energy: 0.9188536106449817
Energy: 0.804746860253142
Energy: 0.9398053150661767
Energy: 0.8762366950330944
Energy: 0.9161104773123036
Energy: 0.9339146057977006
Energy: 0.9505198845065104
Energy: 0.8653368243140316
Energy: 0.9192540934765455
Energy: 0.9345123102694217
Energy: 0.8319901465642627
Energy: 0.9069841982590192
Energy: 0.9152144739975897
Energy: 0.7998347758565844
Energy: 0.8805043854829784
Energy: 0.8628262904873756
Energy: 0.913865677726282
Energy: 0.921725688216793
Energy: 0.9207904023000231
Energy: 0.876939418387961
Energy: 0.858803742004866
Energy: 0.8851970302933625
Energy: 0.9071042322578838
Energy: 0.8614161155549445
Energy: 0.898157583544069
Energy: 0.8596355832664014
Energy: 0.8502958918492655
Energy: 0.9492827853204177
Energy: 0.8189176264909166
Energy: 0.8375810622441927
Energy: 0.901129268897677
Energy: 0.8098164103358909
Energy: 0.8099909289064271
Energy: 0.867996560767608
Energy: 0.8334345857285307
Energy: 0.8104267862767941
Energy: 0.8844303071581727
Energy: 0.9405180940130768
Energy: 0.9559662276270215
Energy: 0.8942977777044849
Energy: 0.8958660845650633
Energy: 0.9072881957002707
Energy: 0.9220140232929889
Energy: 0.8756990225947846
Energy: 0.9549911195207749
Energy: 0.9281132491509312
Energy: 0.8911176808989477
Energy: 0.8123978926031198
Energy: 1.045702882564397
Energy: 0.8708073869388605
Energy: 0.9638247057899443
Energy: 0.9075587243274875
Energy: 0.9385943641322205
Energy: 0.8913174251077209
Energy: 0.8934349196951606
Energy: 0.894233244546752
Energy: 0.8425257569363003
Energy: 0.821230876617962
Energy: 0.8909043733155967
Energy: 0.8745054599501751
Energy: 0.8590573053112286
Energy: 0.8528885744572219
Energy: 0.9038237654321212
Energy: 0.8932420688692189
Energy: 0.9620415179354335
Energy: 0.9263280827054309
Energy: 0.9037320789407747
Energy: 1.0240996869538341
Energy: 0.9002739710089355
Energy: 0.957008991092517
Energy: 0.857197932703442
Energy: 0.8531805346174766
Energy: 0.8514938220080216
Energy: 0.8458758054193727
Energy: 0.8016703426195381
Energy: 0.8443089254428731
Energy: 0.8305576785854463
Energy: 0.8315176740239575
Energy: 0.9102432940953203
Energy: 0.8914073482898693
Energy: 0.9775566588126321
Energy: 0.9250595566258067
Energy: 0.8959858383453229
Energy: 0.9068685768394026
Energy: 0.8993437752726563
Energy: 0.5231694682953802
Energy: 0.9316300296111143
Energy: 0.9339587700627399
Energy: 0.8732906987154783
Energy: 0.8337095083036121
Energy: 1.0976547384982298
Energy: 0.9018197610235427
Energy: 0.9512851435050091
Energy: 0.9103794644561889
Energy: 0.967519274435702
Energy: 0.8561917396016386
Energy: 0.9170352448028358
Energy: 0.9250076841473263
Energy: 0.8133757634182611
Energy: 0.9609864684629671
Energy: 0.922608181903605
Energy: 0.8452680084500701
Energy: 0.816303510249493
Energy: 0.8387908571180888
Energy: 0.9080334434534707
Energy: 0.8565823847418307
Energy: 0.8618258605742015
Energy: 0.92175690450729
Energy: 0.8739237864803722
Energy: 0.87785383930353
Energy: 0.9025087914580561
Energy: 0.9487477663225171
Energy: 0.8082759141039872
Energy: 0.8408552386340091
Energy: 0.8454713994507096
Energy: 0.8673515540926954
Energy: 0.8300516240750411
Energy: 0.8101697994406067
Energy: 0.8231814276172652
Energy: 0.8568638375045438
Energy: 1.0121185693858905
Energy: 0.9310270933547798
Energy: 0.9089153293011134
Energy: 0.9464488401287114
Energy: 0.8437528606940354
Energy: 0.849049951162961
Energy: 0.8343375987301187
Energy: 1.0021362273018135
Energy: 0.972718257556301
Energy: 0.8999232293415346
Energy: 0.9579706063092802
Energy: 0.8548397731744458
Energy: 0.9493886826755037
Energy: 0.8243119763451568
Energy: 0.8989518765239308
Energy: 0.8849357715325356
Energy: 0.9557309580390005
Energy: 0.8689374184519761
Energy: 0.8837927380871599
Energy: 0.9211530353026347
Energy: 0.9470248709227852
Energy: 0.9215236990347186
Energy: 0.871239356500181
Energy: 0.9037108790285047
Energy: 0.7750385555251023
Energy: 0.8980792312928157
Energy: 0.8600089170190485
Energy: 0.8586919812072416
Energy: 0.9003054282695314
Energy: 0.9546083419636952
Energy: 0.8923622266400719
Energy: 0.9011563811385811
Energy: 0.8081734159525593
Energy: 1.0248178831069006
Energy: 0.8781302775064621
Energy: 0.9324151644319084
Energy: 0.9416588437627939
Energy: 0.959497058939449
Energy: 0.8077373739622621
Energy: 0.837724179767003
Energy: 0.8887384127038442
Energy: 0.8553701449199402
Energy: 0.9224876609189244
Energy: 0.957851495109024
Energy: 0.8126810415217469
Energy: 0.9286711584612352
Energy: 0.8733306254236418
Energy: 0.8393572147396656
Energy: 0.9304948069881731
Energy: 0.8763970283579606
Energy: 0.9921570937966906
Energy: 0.9352203191225583
Energy: 0.9255417031810668
Energy: 0.9738957027607762
Energy: 1.0440858635042463
Energy: 0.8645197228226456
Energy: 0.7844126689481709
Energy: 0.8744881338155032
Energy: 0.9168553852941466
Energy: 0.8794419644178204
Energy: 0.9685729363207723
Energy: 1.0073280540150125
Energy: 0.9402070527123424
Energy: 0.9334630382684375
Energy: 0.7818983122169572
Energy: 0.8708358339172928
Energy: 0.793854932493656
Energy: 0.8573883164925127
Energy: 0.9632018739903059
Energy: 0.8225848838702617
Energy: 0.9377710763158423
Energy: 0.8662627404731632
Energy: 0.9295210664879241
Energy: 0.8124996512376523
Energy: 0.833417955202339
Energy: 0.8189667429407043
Energy: 0.846445295575243
Energy: 0.9378880513470087
Energy: 0.865930521298813
Energy: 0.9877581650839125
Energy: 0.8853632615017276
Energy: 0.8383938438437493
Energy: 0.903017880817713
Energy: 0.8108900048734425

minimum gb energy = 0.5231694682953802 eV
minimum distance =  2.29266655867628 Angstroms
sigma value = 39


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

Energy: 0.9775139965622708
Energy: 0.7708865413741682
Energy: 0.8891898666084792
Energy: 1.1360406646920307
Energy: 0.7820884306913727
Energy: 0.7930434011169522
Energy: 0.9721159812433697
Energy: 0.9130021927095409
Energy: 0.7086193378053733
Energy: 0.861350946025876
Energy: 0.8745484393381007
Energy: 1.0282304296118316
Energy: 0.9901971777376403
Energy: 0.9844693566352802
Energy: 0.7951552587888543
Energy: 0.96566289151512
Energy: 0.9220007990995022
Energy: 0.8176218462229281
Energy: 0.9846780960589754
Energy: 0.9909662519597306
Energy: 0.9250470565414004
Energy: 0.8235350913458529
Energy: 0.885668840364038
Energy: 0.7506624310609471
Energy: 0.674643353885243
Energy: 0.8690413344631901
Energy: 0.834338744380652
Energy: 0.9820983620084748
Energy: 1.0228901565629782
Energy: 1.0221661789554668
Energy: 0.8658933642669204
Energy: 0.8873845229893502
Energy: 0.721494924718332
Energy: 0.8532362679091919
Energy: 0.9929663401032572
Energy: 0.8054687820201585
Energy: 0.8905976158162657
Energy: 0.8461340058336155
Energy: 0.8775413516737596
Energy: 0.7602755373438905
Energy: 0.7616134327817049
Energy: 0.9441349378568716
Energy: 0.8243531688479119
Energy: 0.8843181241632897
Energy: 0.8853788493385637
Energy: 0.9302382729565105
Energy: 0.970445344180714
Energy: 0.971621266469182
Energy: 0.9920576397242907
Energy: 0.9622527815580249
Energy: 0.8452753410298204
Energy: 0.8828576244412185
Energy: 0.7026538484993661
Energy: 0.7513586676365637
Energy: 0.7858213040982613
Energy: 0.82973509605684
Energy: 0.962258770374635
Energy: 0.8453905602095063
Energy: 0.7228732786152173
Energy: 0.8820080515265782
Energy: 0.7410686306482154
Energy: 0.8484776539136075
Energy: 0.7873695856212469
Energy: 0.8263086423277132
Energy: 0.7349551742047653
Energy: 0.8437194521227688
Energy: 0.945283060063831
Energy: 1.0289937583533446
Energy: 1.0074191797178982
Energy: 0.9934388479331419
Energy: 0.8259811300709156
Energy: 0.9355853335685531
Energy: 0.7469812679181247
Energy: 0.6765320125371059
Energy: 0.9336327968051208
Energy: 0.92235282226309
Energy: 0.7385183958547261
Energy: 0.9263061870878085
Energy: 1.0280320602759387
Energy: 0.7284952777319018
Energy: 0.7286461779015274
Energy: 0.7152433238337674
Energy: 0.7156452629716218
Energy: 0.9841939942891049
Energy: 0.9600842804359102
Energy: 1.02153452555645
Energy: 0.9314498602736324
Energy: 0.8339783262905842
Energy: 0.7020706664790565
Energy: 0.8188169630145783
Energy: 0.990515365497945
Energy: 0.9303525553495914
Energy: 0.8413117822846804
Energy: 0.8335500965548549
Energy: 0.8744311333287015
Energy: 0.9717142432575624
Energy: 0.9699185211144766
Energy: 0.9275134551707991
Energy: 0.8075599130576696
Energy: 0.7065927885529671
Energy: 0.8392326488561039
Energy: 1.0814185154947382
Energy: 0.97217158500229
Energy: 0.9000724305543835
Energy: 0.9278227862646339
Energy: 0.9775834346617777
Energy: 0.6832464524234235
Energy: 0.8772772852162498
Energy: 0.8562913980048824
Energy: 0.7813335084388106
Energy: 0.7905442096024358
Energy: 0.970406385328679
Energy: 0.9126671330060373
Energy: 0.7071035050476949
Energy: 0.8608558571619691
Energy: 0.8732441800193933
Energy: 1.0274267502662175
Energy: 0.9902336830849119
Energy: 0.9814984353406926
Energy: 0.8657530061199274
Energy: 0.9653109544865474
Energy: 0.9215618396090899
Energy: 0.8174787072353872
Energy: 0.9852251457832413
Energy: 0.9920017018722997
Energy: 0.901781103888781
Energy: 0.8235103759579024
Energy: 0.8845262944783152
Energy: 0.7510023144353589
Energy: 0.7282700503677938
Energy: 0.8689410697591057
Energy: 0.8595469389374057
Energy: 0.9812681211336385
Energy: 1.021141278666939
Energy: 1.0216492753577087
Energy: 0.8658134802217016
Energy: 0.8866102878954356
Energy: 0.7212033577577438
Energy: 0.8319275475757654
Energy: 0.9912514334740096
Energy: 0.8054034032550006
Energy: 0.8915546484504178
Energy: 0.8457235031849024
Energy: 0.8773450932465239
Energy: 0.7611167289500379
Energy: 0.9010476955441651
Energy: 0.9447157503124227
Energy: 0.8246776088622743
Energy: 0.7008323964412875
Energy: 0.8852861411055138
Energy: 0.8820326424706779
Energy: 0.9712765150781009
Energy: 0.9613952082188836
Energy: 0.9921346714666766
Energy: 0.9619702862249913
Energy: 0.8451587966032169
Energy: 0.8867288978157088
Energy: 0.7030172398841493
Energy: 0.7515065964277109
Energy: 0.8012477403715167
Energy: 0.829681623677247
Energy: 0.9623607980871651
Energy: 0.8455255433118891
Energy: 0.830238224051703
Energy: 0.8817237466903228
Energy: 0.740575060756189
Energy: 0.6718569731151718
Energy: 0.9443486526014274
Energy: 0.8216234938979436
Energy: 0.7339966381575709
Energy: 0.8529228024961022
Energy: 0.9451221773563809
Energy: 1.0290035179580417
Energy: 0.9906281719624699
Energy: 0.9929877143663889
Energy: 0.823973511187074
Energy: 0.9352166745025801
Energy: 0.7437527455378262
Energy: 0.6765342555744781
Energy: 0.9332782743616225
Energy: 0.8370943328584848
Energy: 0.7389768713922434
Energy: 0.9266296488956091
Energy: 1.0286111121128116
Energy: 0.8025145789755009
Energy: 0.8033812701473362
Energy: 0.7151864628213058
Energy: 0.7863722204244525
Energy: 0.9837373559496148
Energy: 0.9595884360028977
Energy: 1.021959344306588
Energy: 0.9316967285882883
Energy: 0.8346663686153921
Energy: 0.6997710043201475
Energy: 0.8089424381133853
Energy: 0.9903387890412823
Energy: 0.930634289091337
Energy: 0.8414932367781569
Energy: 0.8392742478596042
Energy: 0.8230628885643798
Energy: 0.971524437600775
Energy: 0.9692509357349279
Energy: 0.9940548998354098
Energy: 0.8081486966678711
Energy: 0.7085298085507133
Energy: 0.8366920276485611
Energy: 0.878998734797634
Energy: 0.9718168565163805
Energy: 0.8984092652321742
Energy: 0.9013848586231559

minimum gb energy = 0.6718569731151718 eV
minimum distance =  2.22866561100439 Angstroms
sigma value = 21


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

Energy: 1.2076872242991392
Energy: 0.2706373560886988
Energy: 0.8410053377561647
Energy: 1.2711131613530164
Energy: 0.8803767961033538
Energy: 0.8702752764554127
Energy: 0.5047316297908692
Energy: 0.813390184018194
Energy: 0.8648394044036504
Energy: 0.8846266115484922
Energy: 0.8619940430699683
Energy: 0.9152240893798029
Energy: 0.9453676239187536
Energy: 0.9118433224270879
Energy: 0.8655836176766646
Energy: 0.7712658014082396
Energy: 0.7537794186940673
Energy: 0.8903268746314859
Energy: 0.9636025597188338
Energy: 0.8351019669591725
Energy: 0.9152910897795534
Energy: 0.7931332578238703
Energy: 0.8799445101768064
Energy: 1.0338578532872893
Energy: 0.6948702329173106
Energy: 0.9750239291953161
Energy: 0.9853284536108061
Energy: 0.8472814863751041
Energy: 0.8471854308285746
Energy: 0.9026646178604029
Energy: 0.859101155396868
Energy: 0.7032587932764193
Energy: 0.7326357869280321
Energy: 0.9192136819333624
Energy: 0.8613374365641103
Energy: 0.8101357745062194
Energy: 0.7321443340513171
Energy: 1.0180247167853258
Energy: 0.8210132684405064
Energy: 0.6572809157470796
Energy: 0.8483971745563399
Energy: 0.847674961907314
Energy: 0.9062600501199981
Energy: 0.7306092525453859
Energy: 0.8703812156022762
Energy: 1.004651964719796
Energy: 0.8310729844961867
Energy: 0.8286924181115644
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Energy: 0.8738542892512866
Energy: 0.7019557551377169
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Energy: 0.7971371090403263
Energy: 0.9012436893859707
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Energy: 0.9139318596135465
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Energy: 0.8755516546005842
Energy: 0.8536592280753159
Energy: 0.7691644612314493
Energy: 0.7675266233143512
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Energy: 0.9047168189595883
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Energy: 0.7941241845131392
Energy: 0.870321381509014
Energy: 0.9412343883992225
Energy: 0.8978853521774987
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Energy: 0.8180760813679507
Energy: 0.8240257163848734
Energy: 0.8481160516983999
Energy: 0.7901792647013111
Energy: 0.8459718577256764
Energy: 0.7024991675447396
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Energy: 0.844173795295501
Energy: 0.8470644447933025
Energy: 0.8078402798221591
Energy: 0.9229454242875196
Energy: 1.0954621334849872
Energy: 0.6954682435743484
Energy: 0.7297668779720777
Energy: 0.799655922949256
Energy: 0.8933851605103205
Energy: 0.2872773996968545
Energy: 0.770190329022426
Energy: 0.7991324347785114
Energy: 0.8792952605647918
Energy: 0.8846853648604845
Energy: 0.8093987498962815
Energy: 0.7618745465300141
Energy: 0.5040611886910893
Energy: 0.826301083146196
Energy: 0.818389771659102
Energy: 0.8304564360095933
Energy: 0.812761955451504
Energy: 0.8440418851847544
Energy: 0.7748113236788698
Energy: 0.8723991266762433
Energy: 0.8938336522165703
Energy: 0.6965752661275898
Energy: 0.7955384370269437
Energy: 0.7308761782623014
Energy: 0.8938501174932861
Energy: 0.9472480929344747
Energy: 0.8996544415212555
Energy: 0.8310435639834993
Energy: 0.8481183770923796
Energy: 0.8345169015944721
Energy: 0.7569188647143198
Energy: 0.8183054831471887
Energy: 0.8155681221393197
Energy: 0.8729433292772214
Energy: 0.9695552678409236
Energy: 0.7533560346980589
Energy: 0.7870156336577371
Energy: 0.8039921854112604
Energy: 0.7833559233982017
Energy: 0.7803473551309261
Energy: 0.86142223349189
Energy: 0.7939926947371542
Energy: 0.7523377111662468
Energy: 0.8600798649093275
Energy: 0.979059214746053
Energy: 0.9604867374059699
Energy: 0.7911305944679741
Energy: 0.9588782706547488
Energy: 0.9136634782321249
Energy: 0.6592178051024932
Energy: 0.940897036366118
Energy: 0.8664989368077585
Energy: 0.7600391911903952
Energy: 0.8494729548167217

minimum gb energy = 0.2706373560886988 eV
minimum distance =  2.31020690451193 Angstroms
sigma value = 113


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

Energy: 1.2083917994497642
Energy: 1.3505676438321375
Energy: 1.1040856531572851
Energy: 1.0173915277169312
Energy: 0.16385331416882112
Energy: 1.035614092103562
Energy: -0.5457839447953939
Energy: 0.9847057081560396
Energy: -0.5057476745214918
Energy: -0.5539253399474425
Energy: -0.2586832658112683
Energy: -0.3845232442916471
Energy: -0.6090622190371979
Energy: -1.1064027262877016
Energy: -0.5399852057387526
Energy: 0.8451430787469978
Energy: 0.8254533325353943
Energy: -0.7694531715844457
Energy: -0.6649773823963127
Energy: 0.9161247862197821
Energy: 0.8590336917209891
Energy: 0.9070380433573781
Energy: -0.5493311307160531
Energy: -0.6191589289551014
Energy: -0.6076118121897383
Energy: -0.7463640147043261
Energy: 0.9316957855131174
Energy: 0.8411488052504907
Energy: 0.9500181196272074
Energy: 0.682909537877501
Energy: -0.5953321196920813
Energy: 0.7729349455335718
Energy: 0.7629009116050042
Energy: -0.47988523391856314
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Energy: 0.14937545747991898
Energy: 0.7562881874718786
Energy: 1.0523375779556892
Energy: 0.7108523147730165
Energy: 0.8932969133014398
Energy: 0.9152951078187918
Energy: 0.8268901749091871
Energy: 0.9740350477600643
Energy: 0.7392332743635724
Energy: 0.8328608106242622
Energy: 0.740560265621293
Energy: 0.7573821972105467
Energy: 0.8406733816706595
Energy: 0.7358496092204864
Energy: 0.9333497669800761
Energy: 0.7083857947179676
Energy: 0.6986205003288386
Energy: -0.5873654279440347
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Energy: 0.7435425507292273
Energy: 0.735011167034184
Energy: 0.8296726464188592
Energy: 0.7067515958251139
Energy: 0.7951370993453477
Energy: 0.8289242612272579
Energy: 0.7310869059280197
Energy: 0.7193205552804306
Energy: 0.8140759879507167
Energy: 1.0996473846893298
Energy: 0.7162051416601644
Energy: 0.6976946832313434
Energy: 0.7988125490944249
Energy: 0.6968475638378501
Energy: 0.7567587293504864
Energy: 0.7765171732250405
Energy: 1.017440650517894
Energy: 0.7261255105290687
Energy: 0.7039128329613513
Energy: 0.6807641991947951
Energy: 0.7721442432266629
Energy: 0.7175330361458315
Energy: 0.7807096606824092
Energy: 0.8713100345562019
Energy: 0.7406958152319058
Energy: 0.8748814901078465
Energy: 0.8222969900741444
Energy: 0.822377476443256
Energy: 0.7424135591133018
Energy: 0.7156910355955384
Energy: -0.5165216903182943
Energy: 0.6715353117941825
Energy: 0.8021248111163826
Energy: 0.7735419704752287
Energy: 0.7186703350258976
Energy: 0.6715091313081427
Energy: 0.7561504394114142
Energy: 0.861095297236326
Energy: 0.7491456889038903
Energy: -1.1103160400289518
Energy: 0.7959198685416419
Energy: 0.8387867699824839
Energy: 0.907620004216619
Energy: 0.6897934330164753
Energy: 0.809019032995228
Energy: 0.8742675907850771
Energy: 1.0176086470643668
Energy: 0.7202166636754107
Energy: 0.6339024296052962
Energy: 1.0861225492050244
Energy: 0.8974244590528884
Energy: 0.9363895759302344
Energy: 0.6762573683156301
Energy: -0.37794493975944243
Energy: 0.7991557434202221
Energy: -0.9056605804372105
Energy: 0.6745455420993384
Energy: 0.7703697301638331
Energy: 1.0105370232630562
Energy: 0.8192953744259927
Energy: 0.18683445019146458
Energy: 0.747851005913264
Energy: -0.7919438969230982
Energy: -0.3946870030350249
Energy: 0.7789988559095121
Energy: 0.9204519703320201
Energy: 0.8450806212910001
Energy: 0.8358428007830857
Energy: -0.389194963151232
Energy: 0.9032798727097613
Energy: 0.8716718882144007
Energy: 0.8235314701480061
Energy: 0.953986161012505
Energy: 0.7327852217468434
Energy: -0.7190433967238441
Energy: 0.7488107541683712
Energy: 0.7968965263559742
Energy: 0.9203566763447805
Energy: 0.727293648746627
Energy: 1.0077263297384864
Energy: -0.3384352318367815
Energy: 1.1295009741665516
Energy: 0.8590198891704127
Energy: 1.0811715759701295
Energy: 0.9002782712571573
Energy: -0.6168506546148749
Energy: 1.102198894364498
Energy: 0.704151669191061
Energy: -0.3736482033833164
Energy: -0.6170009722224832
Energy: -0.6159226161374226
Energy: -0.6644933613475211
Energy: 0.124021564356227
Energy: 0.9588135367260904
Energy: -0.526969111308197
Energy: -0.4775242169020997
Energy: -0.4945901912041263
Energy: -0.5402751851789674
Energy: -0.499119624137778
Energy: -0.5647847746146989
Energy: -0.5319802286440397
Energy: -0.6117090030638043
Energy: 1.121262140080076
Energy: 1.0925772102201372
Energy: 0.8882780062289618
Energy: 0.9667814286587694
Energy: 0.9243873125875047
Energy: 0.1585635950639607
Energy: -0.5081323727902145
Energy: 0.7927622254188171
Energy: -0.2178228644525339
Energy: -0.36856695123091504
Energy: -0.6923184595297531
Energy: 0.7949337819394987
Energy: 0.9733573196812335
Energy: 0.8950817911035007
Energy: -0.8521111241383079
Energy: -0.7750838076413832
Energy: -0.5903347738440152
Energy: -0.5356796932457687
Energy: 0.8740705754961867
Energy: 0.8195912232193122
Energy: 0.8180677332326339
Energy: 1.0307712062290975
Energy: 0.7742765290673498
Energy: -0.7074597428320842
Energy: 0.936253161182331
Energy: 0.7936341330978937
Energy: 0.0978525809703734
Energy: 0.664859006901382
Energy: 0.7401179692518773
Energy: 0.7246639053288639
Energy: -0.9565218210456145
Energy: -0.42533179204112265
Energy: 0.8146172759128342
Energy: 0.18767309240222096
Energy: 0.7918781186126288
Energy: 1.063182959672909
Energy: 0.7303136953529273
Energy: 0.8054842646817484
Energy: 0.9333082308230982
Energy: 0.8871747856083736
Energy: 0.8527855224378069
Energy: 0.7469105631188725
Energy: 0.9293400173405443
Energy: 0.86010309438988
Energy: 0.8576695947153832
Energy: 0.795272242260209
Energy: 0.7304315828880725
Energy: 0.972855151230693
Energy: 0.6942641004960212
Energy: 0.7382678910197462
Energy: 0.7353066156652206
Energy: -0.6381137935081486
Energy: 0.682454883889901
Energy: 0.7380511427794275
Energy: 0.8453283851656784
Energy: 0.7478178109601277
Energy: 0.8183102342795545
Energy: 0.7836901386088727
Energy: 0.7443077378214015
Energy: 0.6771967725671921
Energy: 0.8068353560231164
Energy: 1.0317737471682313
Energy: 0.7628045450208659
Energy: 0.7717001646330246
Energy: 0.7764322812553124
Energy: 0.7648939478363554
Energy: 0.6489101565299362
Energy: 0.7675894538426522
Energy: 1.0476891712089857
Energy: 0.7876232799854976
Energy: 0.7201546143997304
Energy: 0.7578226451318717
Energy: 0.732380377031609
Energy: 0.6960268009058297
Energy: 0.7636243915176422
Energy: 0.9196497896331071
Energy: 0.7348552785305518
Energy: 0.8205203973458313
Energy: 0.8233498565478571
Energy: 0.8083048177252329
Energy: 0.6893952061554962
Energy: 0.7616526033315603
Energy: -0.454776487318626
Energy: 0.6844833061317844
Energy: 0.7696441997109709
Energy: 0.7395988093065298
Energy: 0.6986782573395471
Energy: 0.6604985099086994
Energy: 0.6703287023124425
Energy: 1.0060449563916707
Energy: 0.7750808732524158
Energy: 0.8102504217812665
Energy: 0.7933656868467166
Energy: 0.8048475205057805
Energy: 0.8330546600487337
Energy: 0.7488897004389058
Energy: 0.8848990109778815
Energy: 0.6975688298466308
Energy: 1.0022013159601644
Energy: 0.7457870463431916
Energy: 0.7492341725351908
Energy: 1.0042197746778936
Energy: 0.738017827519215
Energy: -0.5312447984839624
Energy: 0.6873086498564142
Energy: -0.5149451759669528
Energy: 0.7667172216003084
Energy: 0.6378374673340707
Energy: 0.6639868698969513
Energy: 0.783808648596731
Energy: 0.8158941777265716
Energy: 0.7988923779494036
Energy: -0.44031833105586593
Energy: -0.7961436734582502
Energy: -0.4714201697645487
Energy: 1.0481365678359182
Energy: 0.7717105250737555
Energy: 0.945546707442037
Energy: 0.81744058923952
Energy: 0.7948523774120281
Energy: 0.7753656378581252
Energy: -0.6720769035386827
Energy: 0.8906661469554824
Energy: 0.8776109003674455
Energy: 0.854706213614655
Energy: 0.7612517156177779
Energy: 0.8110201995676315
Energy: 0.7548728043540386
Energy: -0.33393183922170255
Energy: 0.8506482364435348
Energy: -0.6759622785547312
Energy: 1.0339229828447607
Energy: -0.2639164105246759
Energy: 1.1045996400364364
Energy: 0.9943770902495446
Energy: 0.9422348782502877
Energy: 1.010627718744027
Energy: 0.9458002924304253
Energy: 0.8927335672250081
Energy: 0.6882747013565069
Energy: 0.7354220101903018
Energy: -0.5763158904008956
Energy: -0.6972499060137851
Energy: 0.8318796888159226
Energy: -1.0831957030423365
Energy: -0.5420251234923433
Energy: 0.6490390992385884
Energy: -0.8803398550253738
Energy: -0.624534327845317
Energy: -0.6402575803722913
Energy: -0.6016379222525253
Energy: -1.062737167874218
Energy: 1.0295713733431502
Energy: 0.8094289434494284
Energy: 1.1663283165289222
Energy: 0.8577907131929728
Energy: 0.09908417448333455
Energy: 0.9964557178675859
Energy: -0.5572619201800809

minimum gb energy = -1.1103160400289518 eV
minimum distance =  2.26590973092273 Angstroms
sigma value = 365


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

Energy: 1.0066751961740696
Energy: 0.45560766765778743
Energy: 0.46830698876990373
Energy: 0.46496457831595245
Energy: 0.4684994524560151
Energy: 0.46805736039659074
Energy: 0.4570771513179574
Energy: 0.9574136311188347
Energy: 0.4908737427081905
Energy: 0.9511168226142342
Energy: 0.4606148099574664
Energy: 0.46494465901897936
Energy: 0.912493762190498
Energy: 0.48392050729442065
Energy: 0.9584029295796884
Energy: 0.4905270691887119
Energy: 0.4657959157111463
Energy: 0.46145503714410857
Energy: 0.4629806042710294
Energy: 0.46625083536811285
Energy: 0.4594588030141734
Energy: 0.9595342187105568
Energy: 0.4891931919565012
Energy: 0.4643677647162998
Energy: 0.4654798699900803
Energy: 0.46628900691186714
Energy: 0.4655240419679732
Energy: 0.45963994325369567
Energy: 0.9894689599808405
Energy: 0.4730717402949007
Energy: 0.880635523821826
Energy: 0.4600275859056234
Energy: 0.9398609990791086
Energy: 0.8818584578888988
Energy: 0.47991048690958166
Energy: 1.0073926863475076
Energy: 0.8766042034798719
Energy: 0.4666497772778342
Energy: 0.46376272400777385
Energy: 0.46706352696366793
Energy: 0.4683063239696535
Energy: 0.458755687205136
Energy: 0.9571301016140054
Energy: 0.4910979328311355
Energy: 0.9133191795405079
Energy: 0.4583282351747913
Energy: 0.46065652216276193
Energy: 0.4665369768230617
Energy: 0.4546625394488428
Energy: 0.9576323211912067
Energy: 0.4899485204355817
Energy: 0.4659378613341486
Energy: 0.4583068999595903
Energy: 0.4615678569056748
Energy: 0.46262890864504136
Energy: 0.4506953302574342
Energy: 0.9562379337316648
Energy: 0.876039916910095
Energy: 0.46677683482548615
Energy: 0.467067166909018
Energy: 0.4666127748564403
Energy: 0.46772654254171575
Energy: 0.45758720502460387
Energy: 0.9895251774418354
Energy: 0.47032460188580405
Energy: 0.8795144560362274
Energy: 0.4501951020105341
Energy: 0.45300223290630204
Energy: 0.8803886441043942
Energy: 0.46264452960024083
Energy: 0.9595231260616929
Energy: 0.5026148515591727
Energy: 0.46798057224098705
Energy: 0.4667076261719699
Energy: 0.4672519548268404
Energy: 0.4672426603279723
Energy: 0.4568615357584162
Energy: 0.9575416595405878
Energy: 0.48938808249653937
Energy: 0.46369094253251797
Energy: 0.45949166589507184
Energy: 0.4624162796878283
Energy: 0.4643305348565016
Energy: 0.4663791670394696
Energy: 0.957096367164544
Energy: 0.457655500066489
Energy: 0.9111637286253369
Energy: 0.45848240404880164
Energy: 0.460015905848697
Energy: 0.45721054071274303
Energy: 0.49469637356153273
Energy: 1.0069552644325
Energy: 0.8777220320521542
Energy: 0.46907686736350523
Energy: 0.46369996099111566
Energy: 0.4658910490073413
Energy: 0.4683337145818853
Energy: 0.45791938104599283
Energy: 0.4429903650281895
Energy: 0.487470088189247
Energy: 0.8802960144020985
Energy: 0.6219494263547651
Energy: 0.4666940541302169
Energy: 0.9496022355192554
Energy: 0.4838822143480311
Energy: 0.9591068991795302
Energy: 0.4943144064671254
Energy: 0.4644559365593251
Energy: 0.46311095368833244
Energy: 0.46601022167202966
Energy: 0.4659290212016097
Energy: 0.45791101197155853
Energy: 0.9588580356461677
Energy: 0.4955811374790888
Energy: 0.46704828722089053
Energy: 0.4644502424393793
Energy: 0.4633026964260866
Energy: 0.4642678838833688
Energy: 0.4601401302545076
Energy: 0.44206308414427414
Energy: 0.48078358779076136
Energy: 0.9509457865426223
Energy: 0.4641800039983899
Energy: 0.4641368891992549
Energy: 0.949193433351644
Energy: 0.4905552613402411
Energy: 1.0068040537591583
Energy: 0.4723180566298789
Energy: 0.4692540979581522
Energy: 0.46441538080645584
Energy: 0.4726663282857996
Energy: 0.470319237575773
Energy: 0.4601070992406466
Energy: 0.9571608046298411
Energy: 0.49136972963521475
Energy: 0.9503699436933623
Energy: 0.46025503286895236
Energy: 0.4622404420129315
Energy: 0.9114797329960788
Energy: 0.4890952946528353

minimum gb energy = 0.44206308414427414 eV
minimum distance =  2.41633455622347 Angstroms
sigma value = 23