Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839794826
mass=195.084
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=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-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: 0.02321289063458295
Energy: 0.7441724330548649
Energy: 0.7435901338201504
Energy: 1.2260912297177027
Energy: 1.2269923863953949
Energy: 0.4835987615213085
Energy: 0.02502845239369885
Energy: 0.13517149260606454
Energy: 1.2110316176152305
Energy: 0.6630162784079785
Energy: 1.0646035704610204
Energy: 0.7440017095047248
Energy: 0.02424780554745951
Energy: 0.13778917694531542
Energy: 0.026355090889092946
Energy: 1.0691101781098131
Energy: 1.3379791041615139
Energy: 1.0686274382803225
Energy: 0.9630102386960904
Energy: 0.1350933459823855
Energy: 0.1369156990466285
Energy: 0.02651947996329076
Energy: 0.744055802896673
Energy: 1.0606505996116684
Energy: 1.2259083083065272
Energy: 1.2271321935629684
Energy: 0.13547803759980237
Energy: 0.02431515880665522
Energy: 0.4775594803394075
Energy: 1.213375016432611
Energy: 0.6690449560734427
Energy: 0.7424514102920895
Energy: 0.7443537796961713
Energy: 0.024041980188228743
Energy: 0.13589999681601522
Energy: 0.02378630939396139
Energy: 1.0701037649217382
Energy: 1.3396715242168937
Energy: 1.0683127610126828
Energy: 0.9620942696817163
Energy: 0.13493346967032552
Energy: 0.13647268382650893

minimum gb energy = 0.02321289063458295 eV
minimum distance =  2.74577209451479 Angstroms
sigma value = 5


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

Energy: 1.7258823380954686
Energy: 2.1052026576870007
Energy: 1.9380432226593922
Energy: 1.9831709193837839
Energy: 1.9388615580870103
Energy: 1.9181660137721022
Energy: 1.9391488834601456
Energy: 1.5912140741224652
Energy: 1.883130502232768
Energy: 1.767260027917386
Energy: 1.8784687785064444
Energy: 1.9007811709146607
Energy: 1.8187118447317137
Energy: 1.818172016273355
Energy: 1.788278155387638
Energy: 1.8394413005059187
Energy: 1.7701318029498814
Energy: 1.8468531718629244
Energy: 1.9283408414884973
Energy: 1.7909081558246192
Energy: 1.8268938988087833
Energy: 1.8421684228297197
Energy: 1.842143911069687
Energy: 1.7659922084914983
Energy: 1.7752052754807335
Energy: 1.823200374894504
Energy: 1.8454242260025824
Energy: 1.8781823406444713
Energy: 1.8286404147838322
Energy: 1.9751842018514751
Energy: 1.7247547414042796
Energy: 1.8717308820088345
Energy: 1.7661137637345614
Energy: 1.8373154667828768
Energy: 1.9375308434108702
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Energy: 1.895606783744406
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Energy: 1.7531106456254553
Energy: 1.8117626917098355
Energy: 1.8326928825019777
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Energy: 1.9062183793565537
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Energy: 1.853092156654745
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Energy: 1.836965676103704
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Energy: 1.8015635624475703
Energy: 1.8421011631141628
Energy: 1.7639341791664718
Energy: 1.7636872834814454
Energy: 1.8088455828382959
Energy: 1.8698415485282351
Energy: 1.8938772198992895
Energy: 1.6509695066702808
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Energy: 1.9250691519733523
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Energy: 1.9589392577554365
Energy: 1.7674502349693184
Energy: 1.7688986954321735
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Energy: 1.8772493579455372
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Energy: 1.8325972777904513
Energy: 1.7272612463232082
Energy: 1.7627332316009632
Energy: 1.76783017703728
Energy: 1.7979179185781857
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Energy: 1.8977985514274625
Energy: 1.8674200708895186
Energy: 1.655769754962212
Energy: 1.7843498160339637
Energy: 1.8627758550235614
Energy: 1.8099976782713794
Energy: 1.9621998591968752
Energy: 1.8864706981554078
Energy: 1.899739877599836
Energy: 1.7412839945115004
Energy: 1.7350276968557632
Energy: 1.857176727767476
Energy: 1.8702921878281502
Energy: 1.9419253065545004
Energy: 1.8293423285142583
Energy: 1.9836828893512222
Energy: 1.7670106067353892
Energy: 1.7991211879747382
Energy: 1.8015217860696073
Energy: 1.8691388065819354
Energy: 1.9818598546865256
Energy: 1.7979389639808085
Energy: 1.827012038366186
Energy: 1.8203846683891058
Energy: 1.7909361353804711
Energy: 1.8160756039525447
Energy: 1.9044814892172615
Energy: 1.8120770495125051
Energy: 1.6923864312541284
Energy: 1.814398172901027
Energy: 1.7819091175602955
Energy: 1.8962123915004054
Energy: 1.918098539652849
Energy: 1.8170283068007613
Energy: 1.7838852147819337
Energy: 1.6104221244371224
Energy: 1.8137266335740254
Energy: 1.9252622035869036
Energy: 1.9876419596204724
Energy: 1.825777459276406
Energy: 1.832263914305757
Energy: 1.7981962058535763
Energy: 1.7280159328093518
Energy: 1.9016782699382235
Energy: 1.8910614343903385
Energy: 1.9802037474382965
Energy: 1.8880465308321621
Energy: 1.799149851977862
Energy: 1.8673365360021223

minimum gb energy = 1.5724130712265452 eV
minimum distance =  2.4263336788954 Angstroms
sigma value = 401


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

Energy: 1.5762010512158677
Energy: 1.9761684699556115
Energy: 1.8429423398303375
Energy: 2.175309046603507
Energy: 2.0165648288415157
Energy: 1.8233798076141863
Energy: 1.707220157991465
Energy: 1.5943578661333802
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Energy: 1.8447551384071386
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Energy: 1.7315206568660704
Energy: 1.9097155636516976
Energy: 1.6597673579879169
Energy: 1.7168377445490661
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Energy: 1.7934648884311577
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Energy: 1.8718047357259595
Energy: 1.5592287524047082
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Energy: 1.8435531946832215
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Energy: 2.059055189186243
Energy: 1.8375685968331743
Energy: 1.6220308226940585
Energy: 1.657183940723927
Energy: 1.4948947629010418
Energy: 1.81672849261219
Energy: 1.8675924358968203
Energy: 2.024706638546409
Energy: 2.0345088745266233
Energy: 1.6452133786955365
Energy: 1.7518954643482747
Energy: 1.640282428534278
Energy: 1.8804571014385145
Energy: 1.6798512028959933
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Energy: 1.8619203707424345
Energy: 1.797595402992183
Energy: 1.7232040813675458
Energy: 1.6462218997592113
Energy: 1.8423185157910194
Energy: 1.6618031560986495
Energy: 1.6922020075971582
Energy: 1.7853454429160083
Energy: 1.8570301155007767
Energy: 1.9253558047395871
Energy: 1.9084817172970667
Energy: 1.8493624992484603
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Energy: 1.6664766729445317
Energy: 1.7650542837547178
Energy: 1.8656918585057907
Energy: 1.9706994053668634
Energy: 1.9036761006387075
Energy: 1.84098287258245
Energy: 1.6005970658864266
Energy: 1.6795927561220567
Energy: 1.8373287881629496
Energy: 1.835355931853931
Energy: 2.0136406291382554
Energy: 1.9360432695616714
Energy: 1.8098764595691357
Energy: 1.643865327819517
Energy: 1.689325001327023
Energy: 1.7119888905054585
Energy: 1.7916188275896936
Energy: 1.993007850663503
Energy: 1.88992566366958
Energy: 1.8520627997777377
Energy: 1.6664133020826197
Energy: 1.675042322125844
Energy: 1.737672603491618
Energy: 1.8379277433926968
Energy: 1.923368900556084
Energy: 1.5174115930626926
Energy: 1.825375267127028
Energy: 1.7528651658899106
Energy: 1.9489545836297015
Energy: 1.8520980417874613
Energy: 1.8790458710862483
Energy: 1.7996245714226304
Energy: 1.6399656070619948
Energy: 1.8272121442160583
Energy: 1.8874043403596683
Energy: 2.184178627244443
Energy: 1.9293274920785555
Energy: 1.6908012193730988
Energy: 1.6895724485842798
Energy: 1.4953102386351667
Energy: 1.8283772825869475
Energy: 1.9641820638683525
Energy: 2.096734963555833
Energy: 1.8173302934761515
Energy: 1.6479500028561729
Energy: 1.7521022257773549
Energy: 1.5808895664540061
Energy: 1.7463623043607324
Energy: 1.8698797788360708
Energy: 2.053275929527376
Energy: 2.0075221736974895
Energy: 1.616375002136793
Energy: 1.6837885222793472
Energy: 1.6491653324241156
Energy: 1.8230796930661883
Energy: 1.7314000920091692
Energy: 1.8328906664376932
Energy: 1.8654524627114843
Energy: 1.7915342758740953
Energy: 1.7267879925007497
Energy: 1.6414681750532745
Energy: 1.968694646603888
Energy: 1.662787134179
Energy: 1.7362168804637284
Energy: 1.7864607217783144
Energy: 1.8597031638138195
Energy: 1.8956447038189594
Energy: 1.7073927455034554
Energy: 1.9478528465199065
Energy: 1.4965316365458452
Energy: 1.6814351241644534
Energy: 1.764074664459959
Energy: 1.7804132159540023
Energy: 1.9622053602023486
Energy: 1.9019499577020522
Energy: 1.9938191453597736
Energy: 1.6069917018614317
Energy: 1.694185345910812
Energy: 1.8903933292940758
Energy: 1.842366496672463
Energy: 2.2330100989455413
Energy: 1.8804244743069907
Energy: 1.8669939584964876
Energy: 1.618559709427456
Energy: 1.663599155534203
Energy: 1.6506635300315813
Energy: 1.7849907645724667
Energy: 1.9998759461624862
Energy: 1.8744998105486568
Energy: 1.8556127200262473
Energy: 1.6766535843709034
Energy: 1.665557835019286
Energy: 1.7136269134769522
Energy: 1.8409458919482595
Energy: 2.1264132321422333
Energy: 1.50607320997667
Energy: 1.8524575405227548
Energy: 1.7045335742764205
Energy: 1.8609262356738825
Energy: 1.8402087042363555
Energy: 1.880724996663499
Energy: 1.823942784273556
Energy: 1.6367517733566428
Energy: 1.7859526594625148
Energy: 1.7230738577813673
Energy: 2.129124827614664
Energy: 1.926544261691377
Energy: 1.8067413761034896
Energy: 1.7029153044078216
Energy: 1.4913742072646916
Energy: 1.863200387499661
Energy: 1.9808295945925878
Energy: 2.0805382179884324
Energy: 1.9791086761567698
Energy: 1.5502327401759532
Energy: 1.6940346950368224

minimum gb energy = 1.4913742072646916 eV
minimum distance =  2.49612105555568 Angstroms
sigma value = 311


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

Energy: 1.7938513263180993
Energy: 2.0186386758689916
Energy: 1.7827328587659343
Energy: 1.9656499319313252
Energy: 1.816530209402819
Energy: 1.7907661160458967
Energy: 1.8680638434551549
Energy: 1.682290196458802
Energy: 1.7887976641161925
Energy: 1.7207225597603337
Energy: 1.7895621588138197
Energy: 1.8263400134384875
Energy: 1.8183901494903396
Energy: 1.8652343928442248
Energy: 1.6941927765656426
Energy: 1.8542326736056176
Energy: 1.6705026413099988
Energy: 1.8348438696259213
Energy: 1.882188261091451
Energy: 1.835981786632558
Energy: 1.8237065212527277
Energy: 1.7175222703610555
Energy: 1.8565046541624948
Energy: 1.7237703825190716
Energy: 1.875573723733052
Energy: 1.820662164847424
Energy: 1.7373581692060316
Energy: 1.8117854480948434
Energy: 1.7707281365853516
Energy: 1.87776083786645
Energy: 1.7957016842166134
Energy: 1.8432188614908505
Energy: 1.7854677866232684
Energy: 1.7597506926179494
Energy: 1.840114579664837
Energy: 1.6752830997444594
Energy: 1.8409333210708454
Energy: 1.7817206622338198
Energy: 1.7648790376045633
Energy: 1.7096788229776687
Energy: 1.780752105736587
Energy: 1.7512796839715452
Energy: 1.7389617112359226
Energy: 1.8998283826889022
Energy: 1.799840017878697
Energy: 1.8277104635574002
Energy: 1.8120812647326057
Energy: 1.7611611185350597
Energy: 1.8427372724213038
Energy: 1.7755338472942357
Energy: 1.7966063964677343
Energy: 1.753647609603602
Energy: 1.8176890608563703
Energy: 1.7806692599139027
Energy: 1.8134592186910976
Energy: 1.8447675324653499
Energy: 1.7251279811295193
Energy: 1.7964812722122288
Energy: 1.663814483860544
Energy: 1.8142471463339145
Energy: 1.8757372032625486
Energy: 1.752878134691388
Energy: 1.8642059591009612
Energy: 1.7325977904842513
Energy: 1.8125274219432672
Energy: 1.7144130296269455
Energy: 1.8174647743412349
Energy: 1.8579718854469283
Energy: 1.7817427973254347
Energy: 1.8744492326951008
Energy: 1.8090059617015035
Energy: 1.9241931933489675
Energy: 1.795026662876988
Energy: 1.8331018874368932
Energy: 1.8628712701273227
Energy: 1.7533289383484911
Energy: 1.8875104216997205
Energy: 1.7483861021679967
Energy: 1.8788058683631013
Energy: 1.6940542012855928
Energy: 1.849922024152277
Energy: 1.6818893746338295
Energy: 1.7546223574604465
Energy: 1.8416810293135493
Energy: 1.7277973359212278
Energy: 1.8672308958655892
Energy: 1.7935590310432996
Energy: 1.8378730883614967
Energy: 1.8190443578462452
Energy: 1.801750695359512
Energy: 1.8023053694536533
Energy: 1.7531127202988912
Energy: 1.7829305304751744
Energy: 1.8334250760878095
Energy: 1.8543345830261646
Energy: 1.7927072440395135
Energy: 1.8415446523837053
Energy: 1.825939104431615
Energy: 1.6775115062153922
Energy: 1.8785075481510671
Energy: 1.7781772904892532
Energy: 1.8773978524299348
Energy: 1.835540976913001
Energy: 1.7426444526009235
Energy: 1.8686006699871933
Energy: 1.7281980801558525
Energy: 1.8569796472173115
Energy: 1.759372009798396
Energy: 1.8092299460375811
Energy: 1.828457166169657
Energy: 1.8357319709192768
Energy: 1.8109676219814157
Energy: 1.7183145870934091
Energy: 2.044908258953767
Energy: 1.7958145345136067
Energy: 1.8306854954176923
Energy: 1.8919681991471364
Energy: 1.8278108684507368
Energy: 2.005653778040741
Energy: 1.8047939536043995
Energy: 1.7808991459284813
Energy: 1.691424157614607
Energy: 1.8884178930988318
Energy: 1.8758704701841364
Energy: 1.7785173125712042
Energy: 1.833300101554841
Energy: 1.729700257090365
Energy: 1.8519905218943555
Energy: 1.726054069304898
Energy: 1.8847483136203862
Energy: 2.022058855541973
Energy: 1.7872972260210296
Energy: 1.8259632767032536
Energy: 1.722659154106391
Energy: 1.7797011289269644
Energy: 1.814651925081155
Energy: 1.859631080700229
Energy: 1.8709482546296843
Energy: 1.8862333350340637
Energy: 1.8891591413887072
Energy: 1.7056040446716652
Energy: 1.8811597992236704
Energy: 1.6750762112940125
Energy: 1.859098314312686
Energy: 1.880491066809522
Energy: 1.6880876844804562
Energy: 1.8757795599889613
Energy: 1.7286250488152188
Energy: 1.835427628344739
Energy: 1.8006531973518245
Energy: 1.9250079160788351
Energy: 1.7482535508668737
Energy: 1.7493329206001664
Energy: 1.7368200093348765
Energy: 1.7712446992135988
Energy: 2.085190731470376
Energy: 1.871530700691653
Energy: 1.8526230873589247
Energy: 1.8358197994358076
Energy: 1.786877734103377
Energy: 2.0046658822036374
Energy: 1.7712580960679565
Energy: 1.8449213682930334
Energy: 1.82192108444733
Energy: 1.9062636294570017
Energy: 1.7684777487690797
Energy: 1.777042606825678
Energy: 1.8300459104213773
Energy: 1.7659384769012727
Energy: 1.8233350773789043
Energy: 1.7636295540570222
Energy: 1.8529159524712167
Energy: 1.907577970755142
Energy: 1.7874006130663633
Energy: 1.8995480143825774
Energy: 1.8071629898125083
Energy: 1.8003669376373053
Energy: 1.777095083475587
Energy: 1.827897519259788
Energy: 1.8147159254811063
Energy: 1.7873568924924967
Energy: 1.8475217231660237
Energy: 1.7063870890137907
Energy: 1.8110454845272486
Energy: 1.7158039129343805
Energy: 1.8253138013052836
Energy: 1.7895827756194795
Energy: 1.8003156606460107
Energy: 1.8914574237485342
Energy: 1.7313211772671881
Energy: 1.866764805304965
Energy: 1.6604978010557974
Energy: 1.8996538019707103
Energy: 1.7544882576207785
Energy: 1.7799538116215525
Energy: 1.8696517475043082
Energy: 1.8299482955006072
Energy: 1.7628086614249978
Energy: 1.8026680113149176
Energy: 1.8364706954925998
Energy: 1.8411806193624056
Energy: 1.7947874281873557
Energy: 1.919420700599941
Energy: 1.8109906806495613
Energy: 1.8477519489225294
Energy: 1.7820478815493153
Energy: 1.868101507298195
Energy: 1.8534786524174176
Energy: 1.771171639329532
Energy: 1.8645274523249666
Energy: 1.7339282152658564
Energy: 1.8107948552604967
Energy: 1.768101010211863
Energy: 1.8329200940307184
Energy: 1.8941236398657757
Energy: 1.7486294321012834
Energy: 1.7951120409429178
Energy: 1.7050287561382718
Energy: 1.8468681563669425
Energy: 1.8227640734146846
Energy: 1.8277337192098309
Energy: 1.8025904841000207
Energy: 1.7515147902500339
Energy: 1.7979969203264152
Energy: 1.6752634534412227
Energy: 1.8100025558967126
Energy: 1.8276986973554987
Energy: 1.8535156387325753
Energy: 1.7986331621435772
Energy: 1.7319334206762205
Energy: 1.7709739608467103
Energy: 1.7254106382633356
Energy: 1.8983376649735892
Energy: 1.6374402537828463
Energy: 1.9541564654727632
Energy: 1.7828919445556675
Energy: 1.7870002226208705
Energy: 1.8841939714036282
Energy: 1.8077502539679298
Energy: 1.8213885148412123
Energy: 1.8160402848700865
Energy: 1.8533200646788055
Energy: 1.8208826303046408
Energy: 1.8948400944236583
Energy: 1.9223167637745104
Energy: 1.834526676708028
Energy: 1.9162837192525426
Energy: 1.7651853044951578
Energy: 1.8971045688080992
Energy: 1.7746136716560388
Energy: 1.8214142515756135
Energy: 1.8726850972729658

minimum gb energy = 1.6374402537828463 eV
minimum distance =  2.43397464533157 Angstroms
sigma value = 39


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

Energy: 1.52453808146551
Energy: 1.825009117700684
Energy: 1.9222138830878648
Energy: 1.8900696969496762
Energy: 1.962243870006337
Energy: 1.8222358747214182
Energy: 1.654752944038964
Energy: 1.6023338409900523
Energy: 1.8576224308843974
Energy: 1.7349775622539003
Energy: 1.6434605754013094
Energy: 1.6418614748555929
Energy: 1.5627427524775972
Energy: 1.808177996091179
Energy: 1.8858432052722274
Energy: 1.7444236751927331
Energy: 1.6047650901634616
Energy: 1.5902041797325215
Energy: 1.515687905606922
Energy: 1.6069363658014513
Energy: 1.918860811232274
Energy: 1.566763334415598
Energy: 1.7995327519441173
Energy: 1.6765535792579656
Energy: 1.60691131984416
Energy: 1.6091094746042351
Energy: 1.7477193824104194
Energy: 1.8309272930168699
Energy: 1.5650849609382103
Energy: 1.6719623777735402
Energy: 1.6567887603475875
Energy: 1.8243153684314344
Energy: 1.8997317280781427
Energy: 1.8351852339311383
Energy: 1.7634490117158659
Energy: 1.5271444781928698
Energy: 1.622304628218078
Energy: 1.567682383270957
Energy: 1.781072391339598
Energy: 1.6540610650724534
Energy: 1.8282519248995326
Energy: 1.9380154400438658
Energy: 1.8744041602430574
Energy: 2.0914074576983617
Energy: 1.976706346010387
Energy: 1.8031743834049507
Energy: 1.6738994992748244
Energy: 1.5608054626970627
Energy: 1.9187867148500006
Energy: 1.523084807737329
Energy: 1.9024883605414156
Energy: 1.9614844139533327
Energy: 1.8715654504263863
Energy: 1.7239927432030622
Energy: 1.8959198957193728
Energy: 1.87540083073011
Energy: 1.5230217464300073
Energy: 1.8684050975355126
Energy: 1.9298116177667748
Energy: 1.679211497528663
Energy: 1.7115819999561903
Energy: 1.8497849337892092
Energy: 1.9471645325046585
Energy: 1.8765929944480055
Energy: 1.9681166360545672
Energy: 1.7661197396573773
Energy: 1.5120561907576746
Energy: 1.557971147667854
Energy: 1.6665142941885318
Energy: 1.8637586567327455
Energy: 1.6069295908205692
Energy: 1.6402945881120015
Energy: 1.5989487482450635
Energy: 1.4549061630078624
Energy: 1.6012528193010067
Energy: 1.5768020531161155
Energy: 2.1834741074413886
Energy: 1.5656393891425184
Energy: 1.6787966804623071
Energy: 1.6075333017536817
Energy: 1.777961960898306
Energy: 1.7214937327499913
Energy: 1.809904580083122
Energy: 1.7637608354732706
Energy: 1.5163053536517057
Energy: 1.664223407177064
Energy: 1.7473761431590855
Energy: 1.77371373478971
Energy: 1.5696864184578134
Energy: 1.9041523676422143
Energy: 1.68904762805159
Energy: 1.8493637467146042
Energy: 1.8471096906883429
Energy: 1.5462947283714294
Energy: 1.7629457748248194
Energy: 1.721244756456597
Energy: 1.5616196068946187
Energy: 1.892658177265792
Energy: 1.6531740865872568
Energy: 1.6694991886121897
Energy: 1.693381621763756
Energy: 1.9026082562014945
Energy: 1.6838592911957604
Energy: 1.5260389980405384
Energy: 1.9232404781288155
Energy: 1.5094035530009795
Energy: 1.8716172878166877
Energy: 1.8724399974086787
Energy: 1.7633696123102158
Energy: 1.946709691075694
Energy: 1.8216825550558613
Energy: 1.6550799251647081
Energy: 1.6058102582508273
Energy: 1.8567414716097572
Energy: 1.739479985290814
Energy: 1.6661737208261194
Energy: 1.6511319922567842
Energy: 1.6895925915681482
Energy: 1.807512196924052
Energy: 1.8619252519130494
Energy: 1.744065603647862
Energy: 1.6030027165336416
Energy: 1.545773125727353
Energy: 1.5157732011060348
Energy: 1.6083829530259206
Energy: 1.918836313116099
Energy: 1.6084139203694925
Energy: 1.7981388577662722
Energy: 1.6770582226843995
Energy: 1.6074304750594024
Energy: 1.6100954959727063
Energy: 1.74905856982452
Energy: 1.7502803273640404
Energy: 1.5655696449852938
Energy: 1.5265389286923994
Energy: 1.656522698156344
Energy: 1.8163992444763775
Energy: 1.894404449593047
Energy: 1.8343221436087358
Energy: 1.8943453756895665
Energy: 1.526223421757899
Energy: 1.6216152636648633
Energy: 1.566327323577674
Energy: 1.745845253745878
Energy: 1.6535597319473294
Energy: 1.4861704597440117
Energy: 1.938506293328853
Energy: 1.8717938097814137
Energy: 2.094387576745365
Energy: 1.9790178505189033
Energy: 1.8032212123994276
Energy: 1.664507784619108
Energy: 1.5879787189596355
Energy: 1.8527784727830452
Energy: 1.5228346842253342
Energy: 1.902427173640239
Energy: 1.9624317353308913
Energy: 1.8646492904658103
Energy: 1.7223795367603263
Energy: 1.8956297438047696
Energy: 1.8754149809422884
Energy: 1.5231683573184525
Energy: 1.8681559327758008
Energy: 1.9295424657021112
Energy: 1.4939712996396168
Energy: 1.7231324525781022
Energy: 1.850048610423847
Energy: 1.959415330415878
Energy: 1.8775530649829775
Energy: 1.9701934922998716
Energy: 1.787020407235808
Energy: 1.5118991666227857
Energy: 1.5487578546830059
Energy: 1.660140702175565
Energy: 1.8794603451387797
Energy: 1.6064261317983732
Energy: 1.6426568982935985
Energy: 1.6476346615169035
Energy: 1.456019865670598
Energy: 1.6881810575843423
Energy: 1.6782159537162575
Energy: 2.182969059502615
Energy: 1.565969936125883
Energy: 1.6785816503473083
Energy: 1.6072469602372967
Energy: 1.7783257986762504
Energy: 1.7430924438101258
Energy: 1.8087948932424298
Energy: 1.7640924967889757
Energy: 1.5322018866867084
Energy: 1.6656226439578792
Energy: 1.7480672524143928
Energy: 1.7747469838149985
Energy: 1.5711795259412233
Energy: 1.9035914625897041
Energy: 1.6887967784217572
Energy: 1.8474344280832544
Energy: 1.8470535629481506
Energy: 1.5475768288170109
Energy: 1.7647292030892623
Energy: 1.6868870689693538
Energy: 1.5595367361859735
Energy: 1.8823483791471087
Energy: 1.6533946606402965
Energy: 1.6778924584141492
Energy: 1.7024541284330066
Energy: 1.7839834676802215
Energy: 1.6793147579886856
Energy: 1.5255366137260347
Energy: 1.9176897118102454

minimum gb energy = 1.4549061630078624 eV
minimum distance =  2.49871911215947 Angstroms
sigma value = 21


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

Energy: 1.9335233404499452
Energy: 2.0595748376611756
Energy: 1.9488530088490565
Energy: 2.041774240042687
Energy: 1.9045237301317441
Energy: 1.8108836267580237
Energy: 1.9812168881124772
Energy: 1.9990156040849156
Energy: 1.9723340581301523
Energy: 1.9766768417977
Energy: 1.9738520446082302
Energy: 1.9417714648060123
Energy: 1.9347062808412958
Energy: 2.0365369935418105
Energy: 1.9549642609592983
Energy: 1.7488889482595396
Energy: 1.842338489657542
Energy: 1.908096013133352
Energy: 1.9039232658878773
Energy: 1.9081407353555817
Energy: 1.8657610762103365
Energy: 1.8349438132016935
Energy: 1.9504118834098951
Energy: 1.6463999277490684
Energy: 1.8458949316856241
Energy: 1.7209652061859242
Energy: 1.6674448584707358
Energy: 1.9651224469592774
Energy: 1.7129119112636415
Energy: 1.708711533914795
Energy: 1.9053718810498876
Energy: 1.6506265918712355
Energy: 1.9289821833567833
Energy: 1.9981946746517716
Energy: 1.7776400274338664
Energy: 1.6217719806369115
Energy: 1.678907914975368
Energy: 1.8376643322008563
Energy: 2.0153260308857663
Energy: 1.9847731229673313
Energy: 1.8902904397733873
Energy: 1.6997637647766548
Energy: 1.9068682080889698
Energy: 2.023731601056305
Energy: 1.7425339996352605
Energy: 1.7719539756997305
Energy: 1.5863455735223
Energy: 1.5857454070616197
Energy: 1.9152357973425815
Energy: 1.8172045240624375
Energy: 1.6799929476932567
Energy: 1.8730159133421092
Energy: 1.85294978261494
Energy: 1.8316571362826053
Energy: 1.7576568613593901
Energy: 1.7245877717632119
Energy: 1.7506019928699876
Energy: 1.8782241279725373
Energy: 1.8872926305151845
Energy: 1.8584345694465803
Energy: 2.060354015557636
Energy: 2.0643822128583613
Energy: 1.9927650636091483
Energy: 1.8485749554168542
Energy: 1.816719015657802
Energy: 1.69724148457905
Energy: 1.9541901122414502
Energy: 1.8312583307965937
Energy: 1.833490444863747
Energy: 1.929501513995522
Energy: 1.8714311976713909
Energy: 1.9874402399326918
Energy: 1.800463992756831
Energy: 2.160439550319887
Energy: 1.9808600654240671
Energy: 1.9479124784627355
Energy: 1.9849713989220135
Energy: 1.876148454401953
Energy: 2.151511006796675
Energy: 2.1386817284496717
Energy: 2.058248751102069
Energy: 1.9661401977139827
Energy: 1.976672380344786
Energy: 2.039773626127483
Energy: 1.9870233142749663
Energy: 1.978847257513141
Energy: 1.9570721726464588
Energy: 1.921412059915931
Energy: 1.8673902843164982
Energy: 1.7620325316419208
Energy: 1.937526356213836
Energy: 1.923211937111325
Energy: 2.1022349161181766
Energy: 1.9005945346604578
Energy: 1.9218204277040578
Energy: 1.809567578916547
Energy: 1.9361310414216195
Energy: 1.962260564473379
Energy: 1.936688369883304
Energy: 1.7673303826797282
Energy: 1.7503342007958453
Energy: 1.8554715217258404
Energy: 1.9119609229928756
Energy: 1.914311116789515
Energy: 1.938197830577739
Energy: 2.0748551350733115
Energy: 1.8396840968569834
Energy: 1.662231216596718
Energy: 1.9253958693195803
Energy: 1.7747828762734914
Energy: 1.8226316964474112
Energy: 2.0459349681484373
Energy: 1.7176744865528448
Energy: 1.8745585823492927
Energy: 1.8342798270257885
Energy: 1.7584877919610156
Energy: 2.010978017698093
Energy: 1.8689637998144542
Energy: 1.8075194529476537
Energy: 1.5590900887383026
Energy: 1.6650659930607672
Energy: 1.9258134369565136
Energy: 2.0553740291884535
Energy: 2.0840409111056104
Energy: 1.8311380168057105
Energy: 1.8635771569623498
Energy: 1.621714164896778
Energy: 1.8021823631218385
Energy: 1.8560727046386918
Energy: 1.7783144279762995
Energy: 1.6049438738454334
Energy: 1.636516085688949
Energy: 1.7356802779095681
Energy: 1.8980116917980798
Energy: 1.8921591651522105
Energy: 1.7822305151725837
Energy: 1.745095786014526
Energy: 1.7160765977643362
Energy: 1.7245085245917817
Energy: 1.9126295910183477
Energy: 1.6984928688175576
Energy: 1.9331765899595674
Energy: 1.9161833658077208
Energy: 1.8615868106746258
Energy: 1.9689918252520824
Energy: 1.8755649397234573
Energy: 1.9852314831224007
Energy: 1.8655981114887557
Energy: 1.814223905901329
Energy: 1.6823384190016903
Energy: 1.8140743605713299
Energy: 1.8601976039196686
Energy: 1.9059329967624974
Energy: 1.9708375876844804
Energy: 1.9319922326822574
Energy: 1.9543751190638872
Energy: 1.950531274192757
Energy: 2.0180442996749357
Energy: 1.8127487839981415
Energy: 1.9652508531617878
Energy: 1.9621399246049933
Energy: 1.8700603698822051
Energy: 2.0030992332997517
Energy: 2.031437922385417
Energy: 2.060061556069847
Energy: 1.9794947970202368
Energy: 1.9478275196595978
Energy: 1.927046261794622
Energy: 1.9230266023929765
Energy: 2.128410978667848
Energy: 1.9159318711727336
Energy: 1.9024137185026868
Energy: 1.8172856768644885
Energy: 1.9003019560674346
Energy: 1.9617704628890769

minimum gb energy = 1.5590900887383026 eV
minimum distance =  2.4382470495916 Angstroms
sigma value = 113


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

Energy: 1.9898786786119569
Energy: 2.1449322050768367
Energy: 1.9321995130066423
Energy: 2.0624875682626915
Energy: 2.1138495398868424
Energy: 1.908739551696132
Energy: 2.0742392832132714
Energy: 1.965127223514952
Energy: 2.0922855745732454
Energy: 2.009483416668613
Energy: 2.0831274554945116
Energy: 2.064394375653842
Energy: 1.9613271794533838
Energy: 2.151346286346997
Energy: 2.0430087714676675
Energy: 1.9972116262244426
Energy: 1.9010673842214634
Energy: 1.9225632636554484
Energy: 1.9806629691907147
Energy: 1.9281882132789259
Energy: 1.998084017640345
Energy: 1.944216351806742
Energy: 2.090747758029018
Energy: 1.8868033333568586
Energy: 1.9549144022589287
Energy: 1.9232266455028053
Energy: 1.8432891715564022
Energy: 2.0816168388483804
Energy: 1.7776052098025648
Energy: 1.9462418246513902
Energy: 1.991433533086192
Energy: 2.0159490699580833
Energy: 1.930463969599988
Energy: 1.9446630491460373
Energy: 1.931082746699589
Energy: 1.8096589640539573
Energy: 1.9157864533988263
Energy: 1.8484723516789165
Energy: 1.9321583569415848
Energy: 1.8754873581268714
Energy: 1.866237144228215
Energy: 1.8966599099559958
Energy: 1.9432389109200372
Energy: 1.802213585976158
Energy: 1.9342252070072818
Energy: 1.8688504619978863
Energy: 1.8876213951571053
Energy: 1.9736522865800603
Energy: 2.0600159683505885
Energy: 1.9205151582985276
Energy: 1.7003626756979173
Energy: 1.866121257715971
Energy: 1.8836445550209682
Energy: 1.9407062341226207
Energy: 1.8940276888319152
Energy: 1.7244574648434188
Energy: 1.8429921157769478
Energy: 1.9706311718597354
Energy: 1.8671497737969127
Energy: 1.9074493653081572
Energy: 1.8205879410361892
Energy: 1.8178210030520665
Energy: 1.9569957169351433
Energy: 1.8079739897140168
Energy: 1.849161071817933
Energy: 1.9115013612781864
Energy: 2.0056570219695087
Energy: 1.9555156998471561
Energy: 1.9391823670786819
Energy: 1.7864847210044978
Energy: 1.8240425260794033
Energy: 1.7621018155426258
Energy: 1.9144760125454414
Energy: 1.9840417598149998
Energy: 1.9773557095452463
Energy: 1.7387150624494838
Energy: 1.7765361430286506
Energy: 1.997589573532391
Energy: 1.8017140662360718
Energy: 1.850652338044797
Energy: 1.780098045087922
Energy: 1.793169112659659
Energy: 1.8334837043380792
Energy: 1.8836432858339658
Energy: 1.9860115773779863
Energy: 1.7304906785765342
Energy: 1.8128983304644075
Energy: 1.9243057700953896
Energy: 1.9122737927792135
Energy: 1.8543151836939966
Energy: 1.8378598191396829
Energy: 1.8436651853434554
Energy: 1.8127062187931773
Energy: 1.9629790095519681
Energy: 1.964718121667145
Energy: 1.9661738797723958
Energy: 1.9162926096060795
Energy: 1.867247232518397
Energy: 1.7815108591537803
Energy: 1.9126777646697124
Energy: 1.8033529289360155
Energy: 1.9688930560645304
Energy: 1.9269399445474062
Energy: 1.8615593732080054
Energy: 1.9226976808168836
Energy: 1.7532387588347662
Energy: 1.8913725758278548
Energy: 1.9593706442878969
Energy: 1.9739586861515799
Energy: 2.018246650425206
Energy: 1.893064295535867
Energy: 1.862620639124101
Energy: 1.9862785041697413
Energy: 2.0097334387949277
Energy: 1.8541227142645034
Energy: 1.8907144170859926
Energy: 1.8648914763525828
Energy: 1.8874288009701554
Energy: 2.1397342708181326
Energy: 1.9000371023521971
Energy: 1.9268169091781195
Energy: 1.8752795916782183
Energy: 1.8936436921666602
Energy: 1.7977389614616743
Energy: 1.878295605264734
Energy: 1.9790423027452322
Energy: 1.9244093890169753
Energy: 1.9887661347902146
Energy: 1.9581511271005216
Energy: 1.9958866277344538
Energy: 2.008806946148291
Energy: 2.040098317683994
Energy: 2.065558187812643
Energy: 1.911882193211795
Energy: 2.0771478401497
Energy: 1.8796696293348607
Energy: 2.0185870978753377
Energy: 2.045026131702809
Energy: 1.9328159803568934
Energy: 2.062515262685611
Energy: 1.988162683312002
Energy: 2.089354277484449
Energy: 1.9838690737446205
Energy: 2.030672149898747
Energy: 1.9367400584368566
Energy: 1.9428669323850258
Energy: 2.076752406427346
Energy: 1.9395941357605648
Energy: 2.107970919547773
Energy: 2.0199903121419593
Energy: 2.0006790245030346
Energy: 2.0195214610797705
Energy: 1.9611029359587426
Energy: 2.0802244598547315
Energy: 1.9439660368335296
Energy: 2.0716218413727683
Energy: 1.9136708599393466
Energy: 2.0573283226728023
Energy: 2.073703079447761
Energy: 1.9186699116785142
Energy: 2.046148220434867
Energy: 1.9485133945967477
Energy: 2.0614333161851963
Energy: 2.011652626783286
Energy: 2.126704543646381
Energy: 2.0401412734462
Energy: 1.9761952004843641
Energy: 2.0820696764705473
Energy: 1.9808155727818104
Energy: 1.96530921905085
Energy: 1.9212901366844426
Energy: 1.9355549465067532
Energy: 1.9003049694816603
Energy: 1.9475673460426952
Energy: 2.000471799160744
Energy: 2.0017700389601583
Energy: 2.0918209344595824
Energy: 1.8824583901217429
Energy: 1.960402501555976
Energy: 1.9077765249528396
Energy: 1.8427000656089119
Energy: 2.092739992243565
Energy: 1.7743477655919577
Energy: 2.022420081736304
Energy: 1.9953696467736086
Energy: 2.0153245678983778
Energy: 1.994516940618015
Energy: 1.970940297308837
Energy: 1.9433018771205006
Energy: 1.810316029742083
Energy: 1.8826702789182246
Energy: 1.8738283711378427
Energy: 2.0119511769
Energy: 1.8728209607896824
Energy: 1.8416734325676638
Energy: 1.9099477956340032
Energy: 1.9378873011507616
Energy: 1.8449614232056375
Energy: 1.930285363649081
Energy: 1.9441619402491206
Energy: 1.9500408399680271
Energy: 1.9604922654597277
Energy: 1.908815393546934
Energy: 1.9239462529580633
Energy: 1.6854354541061012
Energy: 1.8295158161924114
Energy: 1.919955591435064
Energy: 1.9455536684545576
Energy: 1.8495432653174995
Energy: 1.8835744611455705
Energy: 1.8792473675474564
Energy: 1.8826057346638136
Energy: 1.8937667669921918
Energy: 1.894990813714217
Energy: 1.8105580226821418
Energy: 1.8470134295371963
Energy: 1.9756011892941336
Energy: 1.8620898704294029
Energy: 1.8435577049781269
Energy: 1.917489920964731
Energy: 1.8623436319519342
Energy: 1.9482365091391607
Energy: 1.9314140494822964
Energy: 1.7996218148210898
Energy: 1.8354021282841007
Energy: 1.8159890994979844
Energy: 1.88216674685265
Energy: 1.8674401441156356
Energy: 1.9933688897803117
Energy: 1.878518492500807
Energy: 1.7402423665086983
Energy: 1.8764398373597546
Energy: 1.814487283098132
Energy: 1.847791409960559
Energy: 1.840063086358087
Energy: 1.7911825095498413
Energy: 1.8273002328755055
Energy: 2.020496001759335
Energy: 1.9547549105256705
Energy: 1.6585099715673286
Energy: 1.8269463082861355
Energy: 1.827285249549824
Energy: 1.9335993403935372
Energy: 1.855497699503036
Energy: 1.7392382681346479
Energy: 1.8724881397334032
Energy: 1.8144542638416563
Energy: 1.9860228662893773
Energy: 1.8647723518325672
Energy: 1.9839361412907779
Energy: 1.9336636134454521
Energy: 1.9482553902570319
Energy: 1.7769320482522895
Energy: 1.9016399123764716
Energy: 1.8364823138614392
Energy: 1.9495251914966059
Energy: 1.899554657471782
Energy: 1.865308207581528
Energy: 1.8516861554999673
Energy: 1.7580269018119323
Energy: 1.904368079222996
Energy: 1.9659557056910684
Energy: 1.9457369129748323
Energy: 1.9434293227838269
Energy: 1.8802419177790093
Energy: 1.841508703233528
Energy: 1.964763090368212
Energy: 2.046646389976528
Energy: 1.8534725484722268
Energy: 1.8811635641741964
Energy: 1.8599459440503154
Energy: 1.807784626031332
Energy: 2.1157243471230114
Energy: 1.9544833190055144
Energy: 1.9697689327684842
Energy: 1.873325850776076
Energy: 1.882836342667891
Energy: 1.9173025568820021
Energy: 1.8702258885889718
Energy: 1.908955097356813
Energy: 1.920178839063787
Energy: 1.981170351138728
Energy: 1.974362515256671
Energy: 2.0829679162028136
Energy: 2.057870583976732
Energy: 1.9956410017977153
Energy: 2.016256492464747
Energy: 1.9346816136775689
Energy: 2.0016531562042794
Energy: 1.8594228555784016
Energy: 2.018084154353953
Energy: 2.0741941936275095
Energy: 1.9057936866701373
Energy: 2.05181194534606
Energy: 1.9776877515007547
Energy: 2.080489575586273
Energy: 1.9801477427657141
Energy: 1.9942938784652116
Energy: 1.9830955876964
Energy: 1.923437647318291
Energy: 2.087261033220616
Energy: 2.0300564976572217
Energy: 2.1564060155268043
Energy: 2.0208281225544713
Energy: 2.071710781556848
Energy: 1.977032461877624
Energy: 1.9692732684344327
Energy: 2.160655063110401
Energy: 1.9697446272108599
Energy: 2.0909438560212643
Energy: 1.943250479450006
Energy: 2.0437475277725685
Energy: 2.0776545127148878
Energy: 1.9356509225016187
Energy: 2.0778149653685793

minimum gb energy = 1.6585099715673286 eV
minimum distance =  2.43057925416907 Angstroms
sigma value = 365


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

Energy: 1.630317484348529
Energy: 1.8712058262316416
Energy: 1.5605439591625327
Energy: 1.6163330299771963
Energy: 1.617666634987047
Energy: 1.5604537192496948
Energy: 1.6347036781231747
Energy: 1.6573457956636213
Energy: 1.8181664495114362
Energy: 1.5930036272557937
Energy: 1.5691335869324912
Energy: 1.5682647502701639
Energy: 1.593121294026447
Energy: 1.9400041219258888
Energy: 1.7052489879289288
Energy: 1.8801645212159344
Energy: 1.6454903823890228
Energy: 1.6482185214834206
Energy: 1.577982519959927
Energy: 1.5951882090413954
Energy: 1.6437567661304018
Energy: 1.7028502207745935
Energy: 1.8868205807771525
Energy: 1.6178286354891576
Energy: 1.6208652170611344
Energy: 1.6214642787705102
Energy: 1.6159766118018062
Energy: 1.6583631351445274
Energy: 1.7140593856614146
Energy: 2.0503885749081414
Energy: 1.557673174878723
Energy: 1.9500016746302777
Energy: 1.5716983332804573
Energy: 1.5555710614006308
Energy: 1.9558602466410664
Energy: 1.6314685652676617
Energy: 1.9003806599359758
Energy: 1.5616214885723076
Energy: 1.6178331096819476
Energy: 1.6182686789287257
Energy: 1.5602832897605372
Energy: 1.6590876061101651
Energy: 1.631480738145258
Energy: 1.8186207704551673
Energy: 1.5982820757227827
Energy: 1.5524475071589512
Energy: 1.5943531495998695
Energy: 1.5960760855916696
Energy: 1.9568405867788876
Energy: 1.634441153710562
Energy: 1.88432484708254
Energy: 1.5970121536067012
Energy: 1.564639452084513
Energy: 1.5640302150622254
Energy: 1.5976447373121136
Energy: 2.009505384105108
Energy: 1.6322200503581479
Energy: 1.8841207842223588
Energy: 1.5624377230542037
Energy: 1.6182582716128433
Energy: 1.6189806514853387
Energy: 1.613683869586914
Energy: 1.6588794798441608
Energy: 1.7133443703810507
Energy: 2.0202913156116873
Energy: 1.5523796948280315
Energy: 1.9504161249744376
Energy: 2.0836042159030397
Energy: 1.5558402719478948
Energy: 1.9536450150393685
Energy: 1.6336857270436662
Energy: 1.8795805230087654
Energy: 1.5629750831929303
Energy: 1.6195237633952961
Energy: 1.620263518887682
Energy: 1.6150350044941693
Energy: 1.6578118084234916
Energy: 1.7040138950682573
Energy: 1.87852384103763
Energy: 1.5966359459013126
Energy: 1.5507254849639849
Energy: 1.5648470039094933
Energy: 1.5943789089866933
Energy: 2.009787170202309
Energy: 1.6355308796553243
Energy: 1.954802633033171
Energy: 1.5972989973111702
Energy: 1.5836937787619763
Energy: 1.5661164216807182
Energy: 1.5967969608007688
Energy: 1.9390680055630658
Energy: 1.6304115694320882
Energy: 1.8109884912531722
Energy: 1.560996326146042
Energy: 1.617416165746432
Energy: 1.6180987772080981
Energy: 1.5609204197297222
Energy: 1.6359116735142645
Energy: 1.7145691665141232
Energy: 2.053138694109919
Energy: 1.5590797123730946
Energy: 1.5703238629183378
Energy: 1.5695079754455439
Energy: 1.5939859339183184
Energy: 1.9544856516656892
Energy: 1.703162424979682
Energy: 1.8837278646037598
Energy: 1.6472670534834066
Energy: 1.6470025496425325
Energy: 1.5878841096343794
Energy: 1.6445059873888879
Energy: 1.6428050169632675
Energy: 1.7029168450424474
Energy: 1.8876651076347855
Energy: 1.646862864470621
Energy: 1.647149524962837
Energy: 1.588358312009277
Energy: 1.6440421575734736
Energy: 1.6430482057488949
Energy: 1.697285814328479
Energy: 2.0523992619107734
Energy: 1.5934685980539367
Energy: 1.5690210752354452
Energy: 1.5700188016313337
Energy: 1.5930184057205903
Energy: 1.9391566119272712
Energy: 1.6302191361222629
Energy: 1.8760274632297844
Energy: 1.5607302993280328
Energy: 1.6168662899259534
Energy: 1.617283579734831
Energy: 1.5600898669716126
Energy: 1.6361279182113968
Energy: 1.7260657437596347
Energy: 1.8180665511286076
Energy: 1.5933378489473038
Energy: 1.5667190695634547
Energy: 1.5957647998424787
Energy: 1.594333188775503
Energy: 1.9421512288516964

minimum gb energy = 1.5507254849639849 eV
minimum distance =  2.45987746004257 Angstroms
sigma value = 23