Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453791858485
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.023279538050915448
Energy: 0.7105492965646795
Energy: 0.4227319985188735
Energy: 0.7103813561289519
Energy: 0.02327953804878334
Energy: 0.7105492965668117
Energy: 0.7718001352093027
Energy: 0.7716766037781038
Energy: 0.023398990803310243
Energy: 0.38094437382559043
Energy: 0.02359163658671438
Energy: 0.7716766037781038
Energy: 0.023398990801178136
Energy: 0.38094437382559043
Energy: 0.023279538050915448
Energy: 0.7105492965646795
Energy: 0.4227319985188735
Energy: 0.7103813561289519
Energy: 0.023279538050915448
Energy: 0.7105492965668117
Energy: 0.7718001352093027
Energy: 0.7716766037781038
Energy: 0.023398990801178136
Energy: 0.38094437382559043
Energy: 0.02359163658458227
Energy: 0.7716766037781038
Energy: 0.023398990801178136
Energy: 0.38094437382559043
Energy: 0.023279538050915448
Energy: 0.7105492965646795
Energy: 0.4227319985188735
Energy: 0.7103813561289519
Energy: 0.02327953804878334
Energy: 0.7105492965668117
Energy: 0.7718001352093027
Energy: 0.7716766037781038
Energy: 0.023398990803310243
Energy: 0.38094437382559043
Energy: 0.02359163658458227
Energy: 0.7716766037781038
Energy: 0.023398990801178136
Energy: 0.38094437382559043

minimum gb energy = 0.02327953804878334 eV
minimum distance =  2.74895741053841 Angstroms
sigma value = 5


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

Energy: 1.9639269280662628
Energy: 2.1059645544165493
Energy: 2.307209651322895
Energy: 2.1192692544897906
Energy: 1.9639269280662628
Energy: 2.1059645544061305
Energy: 2.3340189257005663
Energy: 1.914013048353701
Energy: 2.003845367861023
Energy: 2.1137029372185894
Energy: 1.9424638784337327
Energy: 1.9140130483562585
Energy: 2.00384536786358
Energy: 2.1137029372211464
Energy: 1.9105902427162056
Energy: 1.9843069065541468
Energy: 2.401922463432198
Energy: 2.003220032633174
Energy: 1.910590242713648
Energy: 1.9843069065489372
Energy: 2.401922463434755
Energy: 2.0802173242715485
Energy: 2.0808879749290647
Energy: 2.2948317651847105
Energy: 2.0496658917489508
Energy: 2.0802173242742006
Energy: 2.080887974934274
Energy: 2.2948317651872676
Energy: 1.9355183982565982
Energy: 1.800161780448258
Energy: 2.384377718866148
Energy: 1.983784970350759
Energy: 1.93551839825925
Energy: 1.8001617804509102
Energy: 2.3843777188634965
Energy: 1.9149781275071311
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Energy: 2.2339328769211595
Energy: 2.0237249210256745
Energy: 1.9149781275096884
Energy: 1.9612828488168292
Energy: 2.2339328769263687
Energy: 1.8386086876316052
Energy: 2.0941203305107576
Energy: 2.380928715339027
Energy: 2.1500638913872203
Energy: 1.8386086876316052
Energy: 2.0941203305107576
Energy: 2.3809287153468888
Energy: 1.8548178607034698
Energy: 1.894080697970912
Energy: 2.4491684917776393
Energy: 1.985993054462487
Energy: 1.8548178607137946
Energy: 1.8940806979735638
Energy: 2.4491684917776393
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Energy: 1.9600250959028094
Energy: 2.4205898799863803
Energy: 1.996526380583928
Energy: 1.8775335589102113
Energy: 1.9600250959002519
Energy: 2.4205898799863803
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Energy: 2.5180422690707074
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Energy: 2.5180422690654978
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Energy: 1.9830310492657124
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Energy: 2.0036302680141502
Energy: 1.8993996636367416
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Energy: 1.8767158042807044
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Energy: 2.3262983069262653
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Energy: 2.289915441754151
Energy: 2.0480889021427986
Energy: 2.062735572636643
Energy: 2.059980421779011
Energy: 2.2899154417567082
Energy: 1.8737967279580439
Energy: 2.0622593119019506
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Energy: 2.257639892701859
Energy: 1.8732218701535672
Energy: 2.008708507546044
Energy: 2.1693222487828363
Energy: 1.9781732495062
Energy: 1.8732218701587766
Energy: 2.008708507535624
Energy: 2.169322248785394
Energy: 1.9747484192186258
Energy: 2.114715529443763
Energy: 2.399690353938656
Energy: 2.266949484379328
Energy: 1.9747484192159737
Energy: 2.114715529446321
Energy: 2.399690353938656
Energy: 1.9298090059483257
Energy: 1.9107002619414426
Energy: 2.2235979829608956
Energy: 1.9380901614656323
Energy: 1.9298090059379065
Energy: 1.9107002619414426
Energy: 2.2235979829608956
Energy: 1.9135785265296732
Energy: 1.961948510996058
Energy: 2.4132435489271553
Energy: 2.0329501121716
Energy: 1.9135785265271157
Energy: 1.9619485109934058
Energy: 2.4132435489219457
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Energy: 2.080873508991058
Energy: 2.3508268288882017
Energy: 2.066881339064871
Energy: 1.8549510988051845
Energy: 2.0808735089962678
Energy: 2.3508268288882017
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Energy: 2.4295035750509055
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Energy: 2.0678815292218204
Energy: 2.3924256900923586
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Energy: 1.8401602753165036
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Energy: 2.3636583197312087
Energy: 2.0391178582833915
Energy: 1.8401602753243653
Energy: 2.088780482203377
Energy: 2.3636583197285566
Energy: 1.908707890720307
Energy: 1.9384425688609095
Energy: 2.454898239026391
Energy: 2.035270081614006
Energy: 1.9087078907281687
Energy: 1.9384425688634668
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Energy: 2.495947361827692
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Energy: 2.0536771760064965
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Energy: 1.9256935794137422
Energy: 1.999171182830101
Energy: 2.038164771457998
Energy: 2.0971169464822985
Energy: 1.9256935794137422
Energy: 1.9991711828275436
Energy: 2.0381647714606506
Energy: 1.9601290245695207
Energy: 2.0052821677450274
Energy: 2.3057170635216
Energy: 1.9744874065946962
Energy: 1.960129024572173
Energy: 2.0052821677372608
Energy: 2.305717063524157
Energy: 2.0945304004787073
Energy: 2.1258940781531352
Energy: 2.1678092336130237
Energy: 2.155913421012146
Energy: 2.094530400481265
Energy: 2.1258940781505777
Energy: 2.1678092336130237
Energy: 1.9105794813508146
Energy: 2.065701768462017
Energy: 2.3067833236266297
Energy: 1.9387855097829698
Energy: 1.9105794813560242
Energy: 2.0657017684697836
Energy: 2.30678332362142
Energy: 1.8512177903163247
Energy: 2.0732618647814105
Energy: 2.2561067795919
Energy: 1.9670554827951539
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Energy: 2.2561067795919
Energy: 1.9802177479406362
Energy: 2.0291028128675994
Energy: 2.4619566537591258
Energy: 2.11572338345492
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Energy: 2.461956653753916
Energy: 1.9512991687479713
Energy: 1.9994904661276804
Energy: 2.203533719172687
Energy: 1.9479735961926552
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Energy: 1.9994904661354476
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Energy: 1.8836189203012295
Energy: 2.0703547697018707
Energy: 2.388511036491886
Energy: 1.9530859263432128
Energy: 1.8836189203038813
Energy: 2.0703547697018707
Energy: 2.388511036491886
Energy: 1.8857229502250512
Energy: 1.9363967433157807
Energy: 2.410322978506256
Energy: 2.029406348665047
Energy: 1.8857229502250512
Energy: 1.9363967433105709
Energy: 2.410322978511466
Energy: 1.821622752291897
Energy: 1.8390920095729977
Energy: 2.3583759803025384
Energy: 1.9967590108827853
Energy: 1.8216227522892452
Energy: 1.8390920095704402
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Energy: 2.0505579384405674
Energy: 2.4568997582107714
Energy: 1.924863430685321
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Energy: 1.995458331699624
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Energy: 1.9611659779964505
Energy: 1.9954583316970662
Energy: 2.0328768827189254
Energy: 2.348303131996004
Energy: 1.8536552517243678
Energy: 2.0048187465143217
Energy: 2.4497743991269165
Energy: 2.0314865886541806
Energy: 1.8536552517269251
Energy: 2.0048187465116696
Energy: 2.44977439911915
Energy: 1.9580507747074256
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Energy: 2.306370427898671
Energy: 1.9731060462922938
Energy: 1.9580507747074256
Energy: 2.0334968906522866
Energy: 2.306370427898671
Energy: 1.9720738221592777
Energy: 2.13587824595811
Energy: 2.361011248465454
Energy: 2.0363096376267054
Energy: 1.97207382215672
Energy: 2.13587824595811
Energy: 2.361011248470663
Energy: 1.906106160106005
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Energy: 2.171248776047179
Energy: 2.0411523199986195
Energy: 1.906106160106005
Energy: 1.9792286761384266
Energy: 2.1712487760498314
Energy: 1.95245518793918
Energy: 1.967087745052445
Energy: 2.2295407839327974
Energy: 1.9912009932508794
Energy: 1.95245518793918
Energy: 1.967087745055097
Energy: 2.2295407839327974
Energy: 2.1540239776334635
Energy: 2.012700148255776
Energy: 2.3632743034514148
Energy: 2.0871397612431517
Energy: 2.1540239776334635
Energy: 2.0127001482584275
Energy: 2.3632743034618335
Energy: 1.9070055402208528
Energy: 1.9353428730089306
Energy: 2.4456566267731294
Energy: 1.9620760032884808
Energy: 1.9070055402234103
Energy: 1.9353428729985116
Energy: 2.445656626770572
Energy: 1.8590087959016437
Energy: 2.0128722087106072
Energy: 2.2365922972717622
Energy: 1.9628944324048518
Energy: 1.859008795906853
Energy: 2.0128722087053976
Energy: 2.2365922972717622
Energy: 1.9864998099894287
Energy: 2.098190679751977
Energy: 2.548820715559073
Energy: 2.2586001549029326
Energy: 1.9864998099867768
Energy: 2.0981906797546297
Energy: 2.548820715564283
Energy: 1.8773454299615435
Energy: 1.9808050570457334
Energy: 2.333515106879503
Energy: 1.917303674679452
Energy: 1.8773454299537766
Energy: 1.9808050570457334
Energy: 2.3335151068769453

minimum gb energy = 1.791834548463247 eV
minimum distance =  2.51366062496712 Angstroms
sigma value = 401


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

Energy: 1.8394094332648672
Energy: 2.080572226739662
Energy: 2.3623324301924984
Energy: 2.08115986425563
Energy: 1.8394094332648672
Energy: 2.0805722267337483
Energy: 2.381832522501526
Energy: 1.8260790104406028
Energy: 1.977257828565592
Energy: 2.102375193574742
Energy: 2.0094305533139267
Energy: 1.8260790104376463
Energy: 1.9772578285626354
Energy: 2.1023751935717847
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Energy: 2.201074957398624
Energy: 2.0629889742103797
Energy: 1.939460824263116
Energy: 2.0037021367571097
Energy: 1.9528619476627769
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Energy: 1.8799204460561265
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Energy: 2.0235343636688667
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Energy: 1.879920446050213
Energy: 2.191034816290418
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Energy: 2.27949237576199
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Energy: 1.8503218158225982
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Energy: 1.824264007727374
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Energy: 1.8394094332648672
Energy: 2.080572226739662
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Energy: 2.08115986425563
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Energy: 1.939460824263116
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Energy: 2.023619274895595
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Energy: 2.1331807831986325
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Energy: 1.9526822193699809
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Energy: 1.9976228397688867
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Energy: 1.9564873807200378
Energy: 1.9442154519927524
Energy: 1.9976228397659301
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Energy: 1.8259461415446803
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Energy: 2.4116404387436257
Energy: 1.9773963584123124
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Energy: 2.0091442520784266
Energy: 2.4116404387436257
Energy: 1.8394094332648672
Energy: 2.080572226739662
Energy: 2.2427693420555546
Energy: 2.08115986425563
Energy: 1.8394094332648672
Energy: 2.0805722267337483
Energy: 2.2427693420555546
Energy: 1.8260790104406028
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Energy: 2.0094305533139267
Energy: 1.8260790104376463
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Energy: 1.9444379038535522
Energy: 1.956398163357308
Energy: 2.2010749573927106
Energy: 1.9985537954934913
Energy: 1.9444379038535522
Energy: 1.9563981633513945
Energy: 2.201074957398624
Energy: 2.062988974207423
Energy: 1.939460824263116
Energy: 2.0037021367571097
Energy: 1.9528619476627769
Energy: 2.062988974207423
Energy: 1.939460824254246
Energy: 2.0037021367571097
Energy: 2.0617022734268846
Energy: 1.8799204460561265
Energy: 2.1910348162874613
Energy: 2.0235343636688667
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Energy: 1.879920446050213
Energy: 2.191034816290418
Energy: 1.8503218158255552
Energy: 1.8652344811735024
Energy: 2.27949237576199
Energy: 2.0919216246831773
Energy: 1.8503218158225982
Energy: 1.8652344811764592
Energy: 2.279492375764947
Energy: 1.824264007727374
Energy: 2.0812923311528517
Energy: 2.3507842942005954
Energy: 1.9334824734271199
Energy: 1.824264007727374
Energy: 2.0812923311587648
Energy: 2.3507842941976387
Energy: 1.824645110530886
Energy: 1.9335373319564626
Energy: 2.5834676420499836
Energy: 2.0815555205108685
Energy: 1.824645110527929
Energy: 1.9335373319535059
Energy: 2.583467642047027
Energy: 1.8502108720770347
Energy: 2.0919407447035927
Energy: 2.2083481595609604
Energy: 1.8652286451277598
Energy: 1.8502108720799915
Energy: 2.091940744700636
Energy: 2.2083481595609604
Energy: 2.0615289157474144
Energy: 2.023619274895595
Energy: 2.1640918778304283
Energy: 1.8801318797583577
Energy: 2.061528915750371
Energy: 2.023619274895595
Energy: 2.1640918778304283
Energy: 2.06270022809782
Energy: 1.9526822193699809
Energy: 2.439774633749385
Energy: 1.939014154989786
Energy: 2.0627002281037337
Energy: 1.9526822193699809
Energy: 2.439774633740515
Energy: 1.9442154519927524
Energy: 1.9976228397688867
Energy: 2.4939171653250805
Energy: 1.9564873807200378
Energy: 1.9442154519957089
Energy: 1.9976228397659301
Energy: 2.4939171653250805
Energy: 1.8259461415446803
Energy: 2.0091442520784266
Energy: 2.4116404387436257
Energy: 1.9773963584123124
Energy: 1.8259461415387672
Energy: 2.0091442520784266
Energy: 2.411640438740669
Energy: 1.8394094332648672
Energy: 2.080572226739662
Energy: 2.2427693420555546
Energy: 2.0811598642585865
Energy: 1.8394094332648672
Energy: 2.0805722267337483
Energy: 2.2427693420555546
Energy: 1.8260790104435596
Energy: 1.977257828565592
Energy: 2.1023751935717847
Energy: 2.0094305533139267
Energy: 1.8260790104376463
Energy: 1.9772578285626354
Energy: 2.102375193574742

minimum gb energy = 1.824264007727374 eV
minimum distance =  2.49199674110021 Angstroms
sigma value = 311


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

Energy: 2.1247276878720043
Energy: 1.9574385465623116
Energy: 2.4064626863100957
Energy: 1.9455373585033904
Energy: 2.12472768787098
Energy: 1.9574385465616289
Energy: 2.4064626863097547
Energy: 2.0281451543913294
Energy: 2.0397869021251482
Energy: 2.250735387335957
Energy: 2.081640614640636
Energy: 2.0281451543903053
Energy: 2.039786902126855
Energy: 2.250735387336981
Energy: 1.9790383616110665
Energy: 2.180514958374939
Energy: 2.253742628529473
Energy: 2.0124400613339093
Energy: 1.9790383616114078
Energy: 2.1805149583756216
Energy: 2.253742628530156
Energy: 2.0059083950180545
Energy: 1.9513297961758607
Energy: 2.3049356247765944
Energy: 2.0223777596716683
Energy: 2.005908395018737
Energy: 1.9513297961751779
Energy: 2.3049356247759114
Energy: 1.9739019735002876
Energy: 2.0499884868044354
Energy: 2.453711806273834
Energy: 2.047826768621403
Energy: 1.9739019735013117
Energy: 2.049988486804094
Energy: 2.424927172978925
Energy: 2.038478183715016
Energy: 1.9104804853033626
Energy: 2.224512149563749
Energy: 2.000989132589573
Energy: 2.038478183715699
Energy: 1.910480485303704
Energy: 2.2245121495644318
Energy: 2.035208998612162
Energy: 2.2560108788223596
Energy: 2.413748981097005
Energy: 2.116747349753644
Energy: 2.035208998612162
Energy: 2.2560108788220186
Energy: 2.4137489810976875
Energy: 1.9857735156252536
Energy: 1.960142464108616
Energy: 2.5139602166233144
Energy: 1.9618104642474752
Energy: 1.9857735156249123
Energy: 1.9601424641082748
Energy: 2.5139602166236554
Energy: 1.9457655440659323
Energy: 2.050281183400574
Energy: 2.5584294209817533
Energy: 1.9641716529872142
Energy: 1.9457655440652497
Energy: 2.050281183398867
Energy: 2.5595892397432443
Energy: 1.9423713589181892
Energy: 2.024424295764776
Energy: 2.4028502767763316
Energy: 2.2007469320271458
Energy: 1.9423713589192135
Energy: 2.024424295764435
Energy: 2.402850276777014
Energy: 2.115314482484889
Energy: 2.1244466688922987
Energy: 2.268245895912118
Energy: 1.974472738291305
Energy: 2.1153144824859136
Energy: 2.1244466688916157
Energy: 2.2682458959117766
Energy: 1.9771658402324794
Energy: 2.068863884818581
Energy: 2.3272269739581346
Energy: 2.019163547769532
Energy: 1.977165840232138
Energy: 2.0688638848192635
Energy: 2.327226973958817
Energy: 2.0619575858166472
Energy: 1.9500270729095395
Energy: 2.1081966254126523
Energy: 2.081246143797906
Energy: 2.0619575858159647
Energy: 1.9500270729102223
Energy: 2.1081966254112863
Energy: 1.887567949992852
Energy: 2.077359702211275
Energy: 2.345921495516233
Energy: 2.0318951731312467
Energy: 1.8875679499935347
Energy: 2.077359702210934
Energy: 2.345921495515891
Energy: 2.0008203430199205
Energy: 2.006257343096888
Energy: 2.188806034047665
Energy: 2.032434931967538
Energy: 2.000820343019579
Energy: 2.0062573430962054
Energy: 2.1888060340466406
Energy: 1.9652204165275875
Energy: 2.0346220340479704
Energy: 2.4016781011825925
Energy: 2.0893378109150413
Energy: 1.965220416527246
Energy: 2.0346220340486534
Energy: 2.401678101182251
Energy: 2.07730878945239
Energy: 1.9113391630496552
Energy: 2.209763519026198
Energy: 2.083567193197922
Energy: 2.0773087894530726
Energy: 1.9113391630506795
Energy: 2.209763519025857
Energy: 1.9984137037830516
Energy: 2.199527456321368
Energy: 2.4209036855406847
Energy: 1.9865158127895133
Energy: 1.9984137037844174
Energy: 2.1995274563189784
Energy: 2.4209036855417088
Energy: 1.9379475214434772
Energy: 2.2220507251843977
Energy: 2.3675324678794687
Energy: 2.0167710695020356
Energy: 1.9379475214445014
Energy: 2.222050725186105
Energy: 2.3675324678784437
Energy: 1.9610229157747647
Energy: 2.0548497311748495
Energy: 2.517709982075318
Energy: 1.9648601750047727
Energy: 1.9610229157737717
Energy: 2.054849731175191
Energy: 2.517709982075318
Energy: 1.981871094430783
Energy: 2.1137871413481584
Energy: 2.390393123330608
Energy: 2.243926554048468
Energy: 1.981871094430783
Energy: 2.113787141347134
Energy: 2.397363482958865
Energy: 2.019037949959472
Energy: 2.0334535504578826
Energy: 2.2821371273819793
Energy: 2.0687447203758165
Energy: 2.0190379499591304
Energy: 2.0334535504575415
Energy: 2.2821371273836863
Energy: 2.024489700963517
Energy: 2.0331085170905183
Energy: 2.4294054169674273
Energy: 2.129155983841505
Energy: 2.0244897009648826
Energy: 2.0331085170898358
Energy: 2.4294054169667447
Energy: 2.0147484814527274
Energy: 2.0082431259704054
Energy: 2.281691522301841
Energy: 2.012773551020656
Energy: 2.0147484814527274
Energy: 2.008243125970747
Energy: 2.2816915223011582
Energy: 1.9795615922828786
Energy: 2.0515455770687643
Energy: 2.544780566812236
Energy: 2.141496059754943
Energy: 1.9795615922825374
Energy: 2.0515455770687643
Energy: 2.5477852076625296
Energy: 1.9938508473903158
Energy: 2.126069826047024
Energy: 2.2302399730832527
Energy: 2.061207340235459
Energy: 1.9938508473896328
Energy: 2.126069826047366
Energy: 2.2302399730815456
Energy: 2.0657428492415604
Energy: 1.9700480083131238
Energy: 2.467675400641878
Energy: 1.9320460360841956
Energy: 2.0657428492415604
Energy: 1.970048008314148
Energy: 2.46767540064222
Energy: 2.01618794794699
Energy: 1.994478598916334
Energy: 2.277865796058081
Energy: 2.1167847733226504
Energy: 2.0161879479480143
Energy: 1.9944785989173583
Energy: 2.2778657960573985
Energy: 2.0556654522117563
Energy: 2.1211648482567127
Energy: 2.3007308659307237
Energy: 2.0307005207782876
Energy: 2.055665452213122
Energy: 2.121164848255347
Energy: 2.3007308659296997
Energy: 2.0198950693608584
Energy: 1.9654072091001007
Energy: 2.2982998608364857
Energy: 1.9978728503350578
Energy: 2.019895069361541
Energy: 1.9654072090997592
Energy: 2.298299860836827
Energy: 1.9655115582664198
Energy: 2.1140379677335863
Energy: 2.4437032530137506
Energy: 2.0505551800242934
Energy: 1.965511558265737
Energy: 2.1140379677325623
Energy: 2.4437032530154577
Energy: 1.99212484237245
Energy: 2.020284555248146
Energy: 2.222388641625694
Energy: 2.022798603099849
Energy: 1.9921248423714255
Energy: 2.020284555248146
Energy: 2.222388641626035
Energy: 2.002922614950453
Energy: 2.1992838967433324
Energy: 2.482537761988815
Energy: 2.1517542746537193
Energy: 2.002922614949429
Energy: 2.1992838967433324
Energy: 2.482537761988474
Energy: 1.987207014152592
Energy: 1.9835318723267932
Energy: 2.4485316210696584
Energy: 2.0320045885090483
Energy: 1.9872070141529332
Energy: 1.9835318723254587
Energy: 2.448531621068634
Energy: 1.959160653026016
Energy: 2.0223609095118666
Energy: 2.5057433682092873
Energy: 1.9321339880876462
Energy: 1.9591606530263572
Energy: 2.022360909512891
Energy: 2.505743368211336
Energy: 1.9382734366087666
Energy: 2.066224360997984
Energy: 2.427357988388201
Energy: 2.172161555568194
Energy: 1.9382734366094494
Energy: 2.066224360996277
Energy: 2.4273579883875174

minimum gb energy = 1.887567949992852 eV
minimum distance =  2.51711099239697 Angstroms
sigma value = 39


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

Energy: 2.09489924306174
Energy: 1.9756216532621198
Energy: 2.4751762180717134
Energy: 1.9746567258803185
Energy: 2.0948992430641575
Energy: 1.9756216532653432
Energy: 2.488856324824005
Energy: 1.9615172502953948
Energy: 1.788775313179469
Energy: 2.457163887005207
Energy: 1.8975511881570346
Energy: 1.9615172502957976
Energy: 1.788775313179469
Energy: 2.4571638870048043
Energy: 2.1330335107682816
Energy: 1.7787885177679623
Energy: 2.2867709900322724
Energy: 1.9400434889948588
Energy: 2.1330335107670737
Energy: 1.778788517768768
Energy: 2.2867709900322724
Energy: 2.0919629353861886
Energy: 1.7886285825412926
Energy: 2.388996627439594
Energy: 2.0924236360847366
Energy: 2.0919629353865914
Energy: 1.788628582538875
Energy: 2.388996627439997
Energy: 1.9848372396076857
Energy: 2.0475103864310213
Energy: 2.0521889193054865
Energy: 1.9398321214038443
Energy: 1.9848372396101033
Energy: 2.0475103864290065
Energy: 2.052188919303472
Energy: 2.091961366991404
Energy: 2.053392693979191
Energy: 2.5914156422698285
Energy: 2.18826814005913
Energy: 2.091961366988583
Energy: 2.0533926939779823
Energy: 2.59141564226862
Energy: 2.039833404143478
Energy: 2.020658574294759
Energy: 1.9783661127220222
Energy: 2.126348907765593
Energy: 2.0398334041426724
Energy: 2.020658574294356
Energy: 1.9783661127260517
Energy: 2.1521529632962193
Energy: 1.9621228660093382
Energy: 1.9168719201183373
Energy: 1.9619610107533685
Energy: 2.152152963297428
Energy: 1.9621228660129646
Energy: 1.9168719201163227
Energy: 2.0643425947132714
Energy: 2.126216185344335
Energy: 2.347653816534251
Energy: 2.02113236251662
Energy: 2.064342594716495
Energy: 2.126216185344738
Energy: 2.3424644449756338
Energy: 2.092111111235572
Energy: 2.1888383355900305
Energy: 2.5914518576301164
Energy: 2.05337031146855
Energy: 2.0921111112400044
Energy: 2.1888383355924477
Energy: 2.5914518576297136
Energy: 1.9813261008618914
Energy: 1.9398286406677534
Energy: 2.384052205572695
Energy: 2.0475352701523213
Energy: 1.9813261008594738
Energy: 1.9398286406681566
Energy: 2.3840522055690685
Energy: 2.091974907824891
Energy: 2.0924623230180686
Energy: 2.389089871906319
Energy: 1.788067326159844
Energy: 2.091974907828517
Energy: 2.0924623230176653
Energy: 2.389089871904304
Energy: 2.132743979152553
Energy: 1.940129507536755
Energy: 2.5056137360656656
Energy: 1.7788177265716774
Energy: 2.1327439791517473
Energy: 1.940129507537561
Energy: 2.5056137360656656
Energy: 1.9627280000383127
Energy: 1.8955211774097587
Energy: 2.4571224737396635
Energy: 1.790184674489065
Energy: 1.9627280000395213
Energy: 1.8955211774121763
Energy: 2.4571224737396635
Energy: 2.094899243062143
Energy: 1.9756216532633284
Energy: 2.4888563248256164
Energy: 1.9746567258799155
Energy: 2.0948992430637543
Energy: 1.9756216532649402
Energy: 2.488856324824811
Energy: 1.9615172502949918
Energy: 1.7887753131806778
Energy: 2.457163887005207
Energy: 1.8975511881566316
Energy: 1.9615172502962008
Energy: 1.788775313179872
Energy: 2.457163887004401
Energy: 2.1330335107682816
Energy: 1.7787885177667533
Energy: 2.286770990030258
Energy: 1.9400434889944562
Energy: 2.13303351076667
Energy: 1.778788517769977
Energy: 2.286770990032675
Energy: 2.0919629353849793
Energy: 1.7886285825412926
Energy: 2.388996627440803
Energy: 2.0924236360839306
Energy: 2.0919629353861886
Energy: 1.7886285825404868
Energy: 2.3889966274403998
Energy: 1.9848372396064768
Energy: 2.0475103864302153
Energy: 2.0521889193066953
Energy: 1.9398321214030383
Energy: 1.9848372396101033
Energy: 2.0475103864302153
Energy: 2.052188919304278
Energy: 2.091961366991404
Energy: 2.053392693979191
Energy: 2.5914156422694257
Energy: 2.18826814005913
Energy: 2.091961366989389
Energy: 2.0533926939779823
Energy: 2.5914156422694257
Energy: 2.0398334041430752
Energy: 2.0206585742939533
Energy: 1.9783661127220222
Energy: 2.126348907763578
Energy: 2.039833404144284
Energy: 2.0206585742951617
Energy: 1.9783661127232313
Energy: 2.1521529632962193
Energy: 1.9621228660093382
Energy: 1.9168719201159197
Energy: 1.9619610107533685
Energy: 2.152152963297025
Energy: 1.9621228660129646
Energy: 1.9168719201183373
Energy: 2.0643425947132714
Energy: 2.126216185344738
Energy: 2.33412988211613
Energy: 2.0211323625170237
Energy: 2.0643425947160923
Energy: 2.126216185344738
Energy: 2.3341298821165326
Energy: 2.092111111235169
Energy: 2.1888383355900305
Energy: 2.5914518576301164
Energy: 2.053370311467342
Energy: 2.092111111240407
Energy: 2.1888383355924477
Energy: 2.5914518576301164
Energy: 1.9813261008614886
Energy: 1.9398286406669476
Energy: 2.5772252040891948
Energy: 2.0475352701519185
Energy: 1.9813261008594738
Energy: 1.9398286406677534
Energy: 2.5772252040875827
Energy: 2.091974907824891
Energy: 2.0924623230176653
Energy: 2.389089871906319
Energy: 1.788067326160247
Energy: 2.0919749078289196
Energy: 2.0924623230184713
Energy: 2.3890898719039013
Energy: 2.1327439791517473
Energy: 1.9401295075359495
Energy: 2.622193971402212
Energy: 1.7788177265712746
Energy: 2.132743979150941
Energy: 1.9401295075359495
Energy: 2.6221939714030182
Energy: 1.9627280000383127
Energy: 1.8955211774101615
Energy: 2.4571224737396635
Energy: 1.790184674488662
Energy: 1.9627280000395213
Energy: 1.8955211774093554
Energy: 2.4571224737396635
Energy: 2.09489924306174
Energy: 1.9756216532621198
Energy: 2.4888563248256164
Energy: 1.9746567258799155
Energy: 2.0948992430629487
Energy: 1.9756216532649402
Energy: 2.488856324824811
Energy: 1.9615172502953948
Energy: 1.7887753131802748
Energy: 2.457163887005207
Energy: 1.8975511881574376
Energy: 1.9615172502962008
Energy: 1.788775313178663
Energy: 2.457163887004401

minimum gb energy = 1.7787885177667533 eV
minimum distance =  2.52011738616661 Angstroms
sigma value = 21


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

Energy: 1.9656589121666166
Energy: 2.2039550112952115
Energy: 2.4148342227112782
Energy: 2.203789218792106
Energy: 1.9656589121661274
Energy: 2.2039550112952115
Energy: 2.4148342227112782
Energy: 2.1029402895754243
Energy: 1.9147282443483957
Energy: 2.3382633180058288
Energy: 1.9875553395310042
Energy: 2.1029402895759137
Energy: 1.9147282443469285
Energy: 2.338263318006807
Energy: 2.019318202266219
Energy: 2.051103304131667
Energy: 2.3489699841555707
Energy: 2.2213724531377195
Energy: 2.01931820226573
Energy: 2.0511033041301996
Energy: 2.348969984156059
Energy: 2.0919219100963615
Energy: 2.064191081667606
Energy: 2.4298351593869154
Energy: 2.023734460793274
Energy: 2.0919219100944053
Energy: 2.064191081667117
Energy: 2.429835159387405
Energy: 1.9161132625059063
Energy: 2.0510232693909236
Energy: 2.2199972969910275
Energy: 1.987078308458357
Energy: 1.9161132625078632
Energy: 2.0510232693928803
Energy: 2.219997296992006
Energy: 2.0921863932176117
Energy: 1.9143213771941914
Energy: 2.5593162342173
Energy: 2.0289318331518764
Energy: 2.0921863932176117
Energy: 1.9143213771956589
Energy: 2.5593162342173
Energy: 2.0452376651827806
Energy: 2.1553232136220375
Energy: 1.9986799364131824
Energy: 1.9701216597851954
Energy: 2.0452376651832704
Energy: 2.1553232136215486
Energy: 1.9986799364151389
Energy: 2.017915970167805
Energy: 2.110878989683633
Energy: 2.174008694110268
Energy: 2.1108621365420808
Energy: 2.017915970168294
Energy: 2.1108789896841214
Energy: 2.174008694111246
Energy: 2.0631109794997835
Energy: 2.074875501740098
Energy: 2.342761704072272
Energy: 2.1799026639717147
Energy: 2.0631109794997835
Energy: 2.0748755017405873
Energy: 2.3427617040712936
Energy: 2.0458684915420586
Energy: 1.8829283497332112
Energy: 2.1796086488423767
Energy: 2.06392145210185
Energy: 2.0458684915420586
Energy: 1.8829283497351677
Energy: 2.1796086488428656
Energy: 2.0371091519250326
Energy: 2.100337531820691
Energy: 2.389954860414566
Energy: 2.085129004709061
Energy: 2.0371091519260105
Energy: 2.1003375318192234
Energy: 2.3899548604155445
Energy: 1.9183413365465758
Energy: 2.2061983981067104
Energy: 2.3316820711556656
Energy: 2.135661727776337
Energy: 1.9183413365455975
Energy: 2.206198398108667
Energy: 2.3316820711556656
Energy: 2.028962179897254
Energy: 2.0931580789136657
Energy: 2.160776286879794
Energy: 2.119302300217483
Energy: 2.028962179897254
Energy: 2.0931580789141546
Energy: 2.1607762868807723
Energy: 1.9935869038362795
Energy: 2.0012454025732853
Energy: 2.5304672810796753
Energy: 2.1473195455328367
Energy: 1.9935869038348122
Energy: 2.0012454025737743
Energy: 2.5304672810782076
Energy: 2.1227103996009284
Energy: 2.034630200756919
Energy: 2.068069491743313
Energy: 2.0558117328203567
Energy: 2.122710399601418
Energy: 2.0346302007578974
Energy: 2.068069491743313
Energy: 1.9727738832456296
Energy: 2.0904483240199294
Energy: 2.6249095464876016
Energy: 2.006944058080464
Energy: 1.9727738832456296
Energy: 2.090448324018462
Energy: 2.6249095464876016
Energy: 2.058310580967269
Energy: 1.9789776758399502
Energy: 2.1679680363185523
Energy: 2.01286782468118
Energy: 2.058310580967269
Energy: 1.9789776758399502
Energy: 2.167968036318063
Energy: 2.019627925368746
Energy: 1.988150972003917
Energy: 2.135248627662976
Energy: 1.9872324778061858
Energy: 2.019627925368746
Energy: 1.9881509720048953
Energy: 2.135248627662976
Energy: 1.9948889734127342
Energy: 1.975665604310939
Energy: 2.2745002859902828
Energy: 1.9596203337442817
Energy: 1.9948889734146908
Energy: 1.975665604309961
Energy: 2.2745002859912606
Energy: 1.8927698165012872
Energy: 1.9555968109110393
Energy: 2.2190064844610253
Energy: 1.9555389286922147
Energy: 1.8927698165007982
Energy: 1.9555968109095716
Energy: 2.2190064844615147
Energy: 1.9945464299404634
Energy: 1.9594811428751682
Energy: 2.274453663399588
Energy: 1.9763132834623902
Energy: 1.9945464299404634
Energy: 1.95948114287419
Energy: 2.2744536634000774
Energy: 2.019546123811491
Energy: 2.0028969438165296
Energy: 2.135242868269967
Energy: 1.9883456836140103
Energy: 2.0195461238154038
Energy: 2.0028969438155513
Energy: 2.1352428682719236
Energy: 2.058507152557894
Energy: 2.0127707163043147
Energy: 2.22388815978012
Energy: 1.9793104577036107
Energy: 2.058507152557894
Energy: 2.0127707163023585
Energy: 2.223888159781587
Energy: 1.9728494152039338
Energy: 2.0071695262269946
Energy: 2.6251076549850896
Energy: 2.0907369308958286
Energy: 1.9728494152039338
Energy: 2.0071695262269946
Energy: 2.625107654986068
Energy: 2.1110313437318116
Energy: 2.0557625380794238
Energy: 2.272277487737255
Energy: 2.035053431062444
Energy: 2.1110313437318116
Energy: 2.0557625380794238
Energy: 2.2722774877367655

minimum gb energy = 1.8829283497332112 eV
minimum distance =  2.49901511069756 Angstroms
sigma value = 113


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

Energy: 2.0622318854618484
Energy: 2.2167267053025217
Energy: 2.4194196031493056
Energy: 2.2276062592357815
Energy: 2.0622318854618484
Energy: 2.2167267052998416
Energy: 2.4194196031493056
Energy: 2.099195780487412
Energy: 2.12919224237109
Energy: 2.3361628468895286
Energy: 2.2516481546843767
Energy: 2.099195780487412
Energy: 2.12919224237109
Energy: 2.336162846892308
Energy: 2.0754018209290024
Energy: 2.239257141551798
Energy: 2.2200245434527237
Energy: 2.1576807864262264
Energy: 2.0754018209235423
Energy: 2.239257141554578
Energy: 2.2200245434581833
Energy: 1.9737083525286978
Energy: 2.1540285700991615
Energy: 2.452110152371178
Energy: 2.170169471564289
Energy: 1.9737083525204586
Energy: 2.154028570096481
Energy: 2.452110152368498
Energy: 2.089130911051897
Energy: 2.060738838543284
Energy: 2.2148484055293194
Energy: 2.069180244918501
Energy: 2.0891309110546765
Energy: 2.060738838537824
Energy: 2.2148484055265403
Energy: 1.9633091884298817
Energy: 2.1231480602472526
Energy: 2.445093731714748
Energy: 2.049245470845676
Energy: 1.963309188432562
Energy: 2.1231480602472526
Energy: 2.445093731712068
Energy: 2.0246029954074367
Energy: 2.0272131705938494
Energy: 2.2214394334077587
Energy: 2.108128831643453
Energy: 2.0246029954047566
Energy: 2.027213170599309
Energy: 2.2214394334077587
Energy: 1.940368798642841
Energy: 2.0808647964977625
Energy: 2.3361587969018744
Energy: 2.0889282414119257
Energy: 1.9403687986456206
Energy: 2.0808647964977625
Energy: 2.3361587969018744
Energy: 2.0096592118025596
Energy: 2.0489577910267363
Energy: 2.3161583446419414
Energy: 2.067979376519543
Energy: 2.0096592118025596
Energy: 2.0489577910239567
Energy: 2.3161583446419414
Energy: 1.999463883806298
Energy: 2.0959399610708234
Energy: 2.4062732051525466
Energy: 2.0894729593818706
Energy: 1.999463883806298
Energy: 2.0959399610708234
Energy: 2.4062732051497675
Energy: 2.045165343577977
Energy: 2.1342242789637504
Energy: 2.3056669824941025
Energy: 2.0943525813316666
Energy: 2.045165343575198
Energy: 2.1342242789637504
Energy: 2.305666982496783
Energy: 2.0094830702588227
Energy: 2.1010996484883644
Energy: 2.4516608058382134
Energy: 2.1179925215197235
Energy: 2.0094830702588227
Energy: 2.1010996484883644
Energy: 2.4516608058408935
Energy: 2.0466908522480973
Energy: 2.1001600941684013
Energy: 2.3302156961446814
Energy: 2.120772497017606
Energy: 2.0466908522480973
Energy: 2.1001600941657212
Energy: 2.3302156961419023
Energy: 2.085457303685885
Energy: 2.1552030353250196
Energy: 2.424199867358576
Energy: 2.149395943538744
Energy: 2.085457303685885
Energy: 2.1552030353276996
Energy: 2.424199867358576
Energy: 2.059794904785004
Energy: 2.1280801014352635
Energy: 2.447222311183624
Energy: 2.1771533279915265
Energy: 2.059794904787783
Energy: 2.128080101438043
Energy: 2.4472223111808447
Energy: 2.052369838157093
Energy: 2.0467850510719177
Energy: 2.360217293570116
Energy: 2.1440624688866534
Energy: 2.0523698381598727
Energy: 2.046785051074697
Energy: 2.360217293570116
Energy: 2.084415038692315
Energy: 2.1034559281981595
Energy: 2.388449941149985
Energy: 2.102318050136897
Energy: 2.084415038692315
Energy: 2.1034559281981595
Energy: 2.388449941149985
Energy: 1.9903868161949614
Energy: 2.1051555838998675
Energy: 2.3646122633191418
Energy: 2.1232626810529465
Energy: 1.9903868161921818
Energy: 2.1051555839026475
Energy: 2.3646122633219213
Energy: 2.090555498020988
Energy: 2.0834778643833416
Energy: 2.232127814468041
Energy: 2.1269759188901873
Energy: 2.090555498020988
Energy: 2.0834778643861207
Energy: 2.2321278144707213
Energy: 1.9777760732273761
Energy: 2.0642868477798073
Energy: 2.382434430078936
Energy: 2.0336326996322542
Energy: 1.9777760732246958
Energy: 2.0642868477824874
Energy: 2.382434430078936
Energy: 2.0413535908533875
Energy: 1.9833522500233698
Energy: 2.255102038840064
Energy: 2.126356047343418
Energy: 2.0413535908533875
Energy: 1.9833522500261491
Energy: 2.255102038840064
Energy: 1.9851247198540023
Energy: 2.0877768049265164
Energy: 2.25478123543883
Energy: 2.0980905543849584
Energy: 1.9851247198540023
Energy: 2.087776804929296
Energy: 2.25478123543883
Energy: 2.0601263430787244
Energy: 2.0331382053305807
Energy: 2.296752436218047
Energy: 2.1501258303835065
Energy: 2.0601263430841836
Energy: 2.0331382053332607
Energy: 2.2967524362207277
Energy: 2.0030790785518056
Energy: 2.027516519791812
Energy: 2.3030366749552247
Energy: 2.1600893425453482
Energy: 2.003079078554585
Energy: 2.027516519786353
Energy: 2.3030366749525446
Energy: 2.0830010854325294
Energy: 2.061353014856592
Energy: 2.2377662218214853
Energy: 2.254997200053023
Energy: 2.08300108542975
Energy: 2.061353014862051
Energy: 2.237766221824166
Energy: 1.967136542888176
Energy: 2.1815342251173626
Energy: 2.3823520373039964
Energy: 2.2121707157202763
Energy: 1.967136542888176
Energy: 2.1815342251200427
Energy: 2.382352037306776
Energy: 2.198433373867857
Energy: 2.0640885834506966
Energy: 2.2574072770012847
Energy: 2.299851138820489
Energy: 2.1984333738706368
Energy: 2.0640885834480165
Energy: 2.2574072769985056
Energy: 1.9854708009581765
Energy: 2.217358686382979
Energy: 2.4013060450666153
Energy: 2.266519512595037
Energy: 1.9854708009636364
Energy: 2.2173586863856594
Energy: 2.4013060450666153
Energy: 2.1945817274331576
Energy: 2.0544775134497093
Energy: 2.284513839747057
Energy: 2.316391373357286
Energy: 2.194581727435838
Energy: 2.05447751345239
Energy: 2.2845138397497373
Energy: 1.9627554930468083
Energy: 2.211129118024955
Energy: 2.280678051506692
Energy: 2.2041429298798536
Energy: 1.962755493052268
Energy: 2.2111291180276353
Energy: 2.280678051506692
Energy: 2.0670699207252556
Energy: 2.025637595211641
Energy: 2.3754190948435876
Energy: 2.220866874364865
Energy: 2.0670699207252556
Energy: 2.025637595214321
Energy: 2.3754190948463676
Energy: 1.9349461944572948
Energy: 2.046232449550726
Energy: 2.254663726234777
Energy: 2.126758689364088
Energy: 1.9349461944546145
Energy: 2.046232449553406
Energy: 2.254663726234777
Energy: 2.0140940164507755
Energy: 2.008843266781568
Energy: 2.327353375343241
Energy: 2.169200637229109
Energy: 2.014094016447996
Energy: 2.008843266787028
Energy: 2.327353375348701
Energy: 1.9439801647743815
Energy: 1.9985513346223414
Energy: 2.329022978040625
Energy: 2.010137498846464
Energy: 1.9439801647689219
Energy: 1.9985513346223414
Energy: 2.3290229780434046
Energy: 1.9251069012887598
Energy: 1.9720677463576732
Energy: 2.263079098539163
Energy: 2.144489002558445
Energy: 1.9251069012887598
Energy: 1.9720677463576732
Energy: 2.263079098544622
Energy: 1.9460162684850872
Energy: 1.9797819454223164
Energy: 2.3203520926968166
Energy: 2.0045251557905086
Energy: 1.9460162684878666
Energy: 1.9797819454249963
Energy: 2.320352092694136
Energy: 2.0327639265804605
Energy: 2.051271833932588
Energy: 2.374511744172054
Energy: 2.087250928694435
Energy: 2.0327639265804605
Energy: 2.051271833932588
Energy: 2.3745117441692742
Energy: 1.9986082314203122
Energy: 2.036044827481433
Energy: 2.368857587351261
Energy: 2.04984190721227
Energy: 1.9986082314203122
Energy: 2.0360448274786536
Energy: 2.3688575873539413
Energy: 2.0488089347899137
Energy: 2.0976153960072685
Energy: 2.4306999823161246
Energy: 2.0936084069366214
Energy: 2.048808934787134
Energy: 2.0976153960045885
Energy: 2.430699982313345
Energy: 2.017089878408176
Energy: 2.120264884241475
Energy: 2.3690403039894234
Energy: 2.069789978792052
Energy: 2.017089878410955
Energy: 2.1202648842360152
Energy: 2.3690403039894234
Energy: 2.135062376275389
Energy: 2.08797665149662
Energy: 2.397695920903254
Energy: 2.1586588938711326
Energy: 2.135062376278169
Energy: 2.0879766514993
Energy: 2.397695920903254
Energy: 2.0018292652414584
Energy: 2.1980476446220676
Energy: 2.4724507017295996
Energy: 2.185365491326683
Energy: 2.0018292652414584
Energy: 2.1980476446220676
Energy: 2.4724507017295996
Energy: 2.1102419528599055
Energy: 2.095513622181471
Energy: 2.3158167080220573
Energy: 2.131386623903128
Energy: 2.1102419528625855
Energy: 2.0955136221786916
Energy: 2.3158167080192773
Energy: 2.008236989315789
Energy: 2.1763644793212773
Energy: 2.4265221357253273
Energy: 2.1067933211778973
Energy: 2.008236989315789
Energy: 2.1763644793184973
Energy: 2.4265221357225473
Energy: 2.0358352200685306
Energy: 2.0988754985689475
Energy: 2.3843750118203415
Energy: 2.087007548743127
Energy: 2.0358352200713097
Energy: 2.0988754985689475
Energy: 2.384375011817661

minimum gb energy = 1.9251069012887598 eV
minimum distance =  2.50426074335448 Angstroms
sigma value = 365


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

Energy: 1.8371516826229901
Energy: 1.9486766362906394
Energy: 2.311711126570059
Energy: 1.9486766362894086
Energy: 1.8371516826223746
Energy: 1.9486766362924859
Energy: 2.311711125486076
Energy: 1.8371516826229901
Energy: 1.9486766362906394
Energy: 2.348694510739339
Energy: 1.9486766362918706
Energy: 1.837151682624221
Energy: 1.9486766362906394
Energy: 2.3117111256829195
Energy: 1.837151682624221
Energy: 1.9486766362912549
Energy: 2.311711126383679
Energy: 1.9486766362906394
Energy: 1.837151682621759
Energy: 1.9486766362918706
Energy: 2.31171112367179
Energy: 1.8371516826223746
Energy: 1.9486766362906394
Energy: 2.273906926568251
Energy: 1.9486766362912549
Energy: 1.8371516826223746
Energy: 1.9486766362918706
Energy: 2.2739068174183594
Energy: 1.8371516826223746
Energy: 1.9486766362918706
Energy: 2.3117111237566714
Energy: 1.9486766362906394
Energy: 1.837151682624221
Energy: 1.9486766362912549
Energy: 2.311711124659814
Energy: 1.8371516826236054
Energy: 1.9486766362924859
Energy: 2.273907121364348
Energy: 1.9486766362924859
Energy: 1.837151682621759
Energy: 1.948676636290024
Energy: 2.2739069516197183
Energy: 1.8371516826223746
Energy: 1.9486766362912549
Energy: 2.2275014047970485
Energy: 1.9486766362906394
Energy: 1.837151682621759
Energy: 1.9486766362918706
Energy: 2.227501670546293
Energy: 1.8371516826229901
Energy: 1.9486766362906394
Energy: 2.2739069027195002
Energy: 1.9486766362912549
Energy: 1.837151682624221
Energy: 1.9486766362906394
Energy: 2.2739070172721867
Energy: 1.8371516826236054
Energy: 1.9486766362912549
Energy: 2.2275016058295876
Energy: 1.9486766362906394
Energy: 1.837151682621759
Energy: 1.9486766362906394
Energy: 2.18135515165232
Energy: 1.8371516826223746
Energy: 1.948676636290024
Energy: 2.1980579520086985
Energy: 1.9486766362912549
Energy: 1.837151682621759
Energy: 1.9486766362924859
Energy: 2.1980579093793344
Energy: 1.8371516826223746
Energy: 1.9486766362912549
Energy: 2.227501423870521
Energy: 1.9486766362912549
Energy: 1.837151682624221
Energy: 1.9486766362918706
Energy: 2.2275013992958317
Energy: 1.8371516826236054
Energy: 1.9486766362912549
Energy: 2.1980580052812195
Energy: 1.9486766362906394
Energy: 1.837151682621759
Energy: 1.9486766362906394
Energy: 2.1980580122853977
Energy: 1.8371516826229901
Energy: 1.9486766362906394
Energy: 2.19805797440921
Energy: 1.9486766362906394
Energy: 1.8371516826223746
Energy: 1.948676636290024
Energy: 2.198057968010391
Energy: 1.8371516826229901
Energy: 1.9486766362912549
Energy: 2.1980580410373918
Energy: 1.9486766362924859
Energy: 1.8371516826236054
Energy: 1.948676636290024
Energy: 2.1980580810877566
Energy: 1.8371516826236054
Energy: 1.9486766362912549
Energy: 2.19805791581139
Energy: 1.9486766362918706
Energy: 1.837151682621759
Energy: 1.9486766362906394
Energy: 2.198058084085063
Energy: 1.8371516826229901
Energy: 1.9486766362906394
Energy: 2.198057945044471
Energy: 1.9486766362912549
Energy: 1.8371516826223746
Energy: 1.9486766362918706
Energy: 2.198058078206721
Energy: 1.8371516826223746
Energy: 1.9486766362912549
Energy: 2.198057926151895
Energy: 1.9486766362912549
Energy: 1.837151682624221
Energy: 1.9486766362906394
Energy: 2.1980579683148886
Energy: 1.8371516826236054
Energy: 1.9486766362906394
Energy: 2.1980578818775047
Energy: 1.9486766362918706
Energy: 1.8371516826223746
Energy: 1.948676636290024
Energy: 2.198057867400931
Energy: 1.8371516826229901
Energy: 1.9486766362894086
Energy: 2.1980580278010793
Energy: 1.9486766362912549
Energy: 1.837151682621759
Energy: 1.9486766362918706
Energy: 2.198057949041495
Energy: 1.8371516826229901
Energy: 1.9486766362906394
Energy: 2.198057956753203
Energy: 1.9486766362912549
Energy: 1.8371516826236054
Energy: 1.9486766362918706
Energy: 2.1980580340184424

minimum gb energy = 1.837151682621759 eV
minimum distance =  2.54805665803789 Angstroms
sigma value = 23