Model name: model_name=Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
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=3.917386054992676
cohesive_energy=5.770237530861869
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=[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.00749527886932e-20, 1.3920671902172398e-19, 2.9286987781202996e-19, 4.37844432716154e-19, 5.61534071037588e-19, 6.61984137282852e-19, 7.4065261218888595e-19, 8.00064526130874e-19, 8.429820316258319e-19, 8.72039107060056e-19, 8.89582941202356e-19, 9.005081836696018e-19, 9.09281702917386e-19, 9.15993220837212e-19, 9.20713233200976e-19, 9.2350262272077e-19, 9.24420669932052e-19, 9.23419309535802e-19, 9.2014606267254e-19, 9.141379002950399e-19, 9.048340605814019e-19, 8.91552016285542e-19, 8.734586355577798e-19, 8.495301275289899e-19, 8.18502374834946e-19, 7.78800437844426e-19, 7.284600480041459e-19, 6.649994337080399e-19, 5.85262306987128e-19, 4.85212784900364e-19, 3.596085455013e-19, 2.0160028367958598e-19, 2.11349528497476e-21, -2.51184446148618e-19, -5.76612155340162e-19, -1.0001283224184538e-18, -1.558176057100458e-18, -2.301526734741e-18, -3.3001474089468596e-18, -4.65276901043502e-18, -6.536720449056599e-18, -9.24164321670612e-18, -1.3329693028955159e-17, -1.98738796211262e-17, -3.06166341697596e-17, -4.98703112158644e-17, -8.889292531356839e-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: 0.02321184884068407
Energy: 0.02441036885983971
Energy: 1.176871566070473
Energy: 0.838871029503602
Energy: 0.8409040130224362
Energy: 0.9948009672160641
Energy: 0.02453077630859352
Energy: 0.41745299249594275
Energy: 0.8383112767451849
Energy: 0.24592240347583447
Energy: 0.7922253108030125
Energy: 0.7214156459381337
Energy: 0.25269489082166435
Energy: 0.14442423472503388
Energy: 0.023934651041355292
Energy: 0.8384318260961958
Energy: 1.100647132799467
Energy: 0.7897804767695523
Energy: 0.7184221110346057
Energy: 0.14175742355747828
Energy: 0.14562645584772688
Energy: 0.02684201658889623
Energy: 0.6101343885343313
Energy: 1.1769865991921589
Energy: 0.8386683435809114
Energy: 0.8397381019084399
Energy: 0.9953391136580512
Energy: 0.024563690856115317
Energy: 0.3347182119498165
Energy: 0.8441375976999281
Energy: 0.24819251894809657
Energy: 0.787538100747769
Energy: 0.8090156701439957
Energy: 0.024610385711341796
Energy: 0.3368553713414741
Energy: 0.023766801653892066
Energy: 0.9914447854920919
Energy: 1.10036865039238
Energy: 0.789472590699013
Energy: 0.7184869235139199
Energy: 0.8531265877403418
Energy: 0.1450101264421391

minimum gb energy = 0.02321184884068407 eV
minimum distance =  2.74471133452484 Angstroms
sigma value = 5


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

Energy: 1.4697383062236158
Energy: 1.6457014521591231
Energy: 1.6379644080123736
Energy: 1.6799352386026631
Energy: 1.6264748276867844
Energy: 1.6493274471176838
Energy: 1.643603764638604
Energy: 1.4806926803249891
Energy: 1.5635876295967683
Energy: 1.6785563862247783
Energy: 1.6585420006268428
Energy: 1.6806438290504113
Energy: 1.6199500608986606
Energy: 1.5559509414426926
Energy: 1.5764912276058833
Energy: 1.5932560250060546
Energy: 1.591538683887614
Energy: 1.5995022870895488
Energy: 1.636793232025237
Energy: 1.622971136350529
Energy: 1.56562254359024
Energy: 1.5492427072430797
Energy: 1.651640236439803
Energy: 1.5293660946855796
Energy: 1.5559795306038593
Energy: 1.5830382683556825
Energy: 1.6311429533176
Energy: 1.6629163406589145
Energy: 1.5993900717154519
Energy: 1.68580985476039
Energy: 1.5062092958342328
Energy: 1.514701527945376
Energy: 1.5868415327232916
Energy: 1.6131700480403963
Energy: 1.6820594489400544
Energy: 1.7471708425547277
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Energy: 1.5801906868526077
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Energy: 1.6869875470091376
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Energy: 1.6073288619213715
Energy: 1.5313649187456186
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Energy: 1.580865483083808
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Energy: 1.628526589430713
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Energy: 1.6207574096074764
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Energy: 1.7637089681407074
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Energy: 1.572500575104141
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Energy: 1.3708552999007757
Energy: 1.5860489255236083
Energy: 1.5547617992773646
Energy: 1.578411598251638
Energy: 1.5664762989145298
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Energy: 1.6023281510264604
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Energy: 1.4797575112141497
Energy: 1.5081015130690478
Energy: 1.5732431855248565
Energy: 1.6240479477849041
Energy: 1.6367818933034781
Energy: 1.6173597309994827
Energy: 1.5703680074561732
Energy: 1.5242725371033732
Energy: 1.5416775788995436
Energy: 1.5884152699693388
Energy: 1.6306704945330086
Energy: 1.6451817518570544
Energy: 1.5039435098327238
Energy: 1.6558874450885845
Energy: 1.5394979318587827
Energy: 1.6005629299017692
Energy: 1.576840934238306
Energy: 1.623006785119614
Energy: 1.6578701722807105
Energy: 1.4234286171307504
Energy: 1.56752694232032
Energy: 1.6163688320829146
Energy: 1.5437952468858176
Energy: 1.6033119088185919
Energy: 1.641469271870209
Energy: 1.633565687360255
Energy: 1.5361694732262756
Energy: 1.538436493600767
Energy: 1.6442762570539027
Energy: 1.6651357710503034
Energy: 1.646667238034721
Energy: 1.5815823473521504
Energy: 1.531359518265207
Energy: 1.3903616829627774
Energy: 1.5775032885775857
Energy: 1.6153474938870882
Energy: 1.700889303242708
Energy: 1.5979114905277587
Energy: 1.622157656260329
Energy: 1.5736128242850533
Energy: 1.4925200695041352
Energy: 1.652749853182661
Energy: 1.606831575171612
Energy: 1.6676551786597837
Energy: 1.6292547284553855
Energy: 1.5520342252015698
Energy: 1.6053754528362014

minimum gb energy = 1.3482481767565597 eV
minimum distance =  2.43556470833936 Angstroms
sigma value = 401


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

Energy: 1.344775932935514
Energy: 1.508088405521404
Energy: 1.6301397238883957
Energy: 1.6979886619523898
Energy: 1.6875347701429857
Energy: 1.5933403814497302
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Energy: 1.730490573776357
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Energy: 1.5228052053444436
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Energy: 1.622283681532608
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Energy: 1.7345874753628225
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Energy: 1.670467211924192
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Energy: 1.7038266890150526
Energy: 1.5192337037098265
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Energy: 1.3505436296318605
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Energy: 1.5068207725256726
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Energy: 1.5389791375567514
Energy: 1.6487719970055459
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Energy: 1.5283637880150895
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Energy: 1.6308954897112302
Energy: 1.591225320680304
Energy: 1.4842039061552459
Energy: 1.4845361972462718
Energy: 1.5202794050681991
Energy: 1.5504894963598064
Energy: 1.7693465294238504
Energy: 1.6449064791817958
Energy: 1.5907184017726035
Energy: 1.6212424137865593
Energy: 1.5108604964040047
Energy: 1.5283442822125688
Energy: 1.6231875254326102
Energy: 1.6947622777767954
Energy: 1.4081702269883076
Energy: 1.4932797863752192
Energy: 1.523623686852477
Energy: 1.6102024830255595
Energy: 1.7101065082608566
Energy: 1.6235848144631757
Energy: 1.5114563298610122
Energy: 1.3514542189650987
Energy: 1.5221582071526008
Energy: 1.6651977697857696
Energy: 1.7174199089062705
Energy: 1.6700725754465415
Energy: 1.526809485118891
Energy: 1.5340444234691641
Energy: 1.382865694634978
Energy: 1.4883100439534047
Energy: 1.5983194040885615
Energy: 1.7721461918261499
Energy: 1.6987389395572328
Energy: 1.4807558824591873
Energy: 1.4047751855545445
Energy: 1.3259052671928275
Energy: 1.5433282116100844
Energy: 1.5910304058795677
Energy: 1.771738841273975
Energy: 1.6880333555658844
Energy: 1.5192760903339322
Energy: 1.5259237656807096
Energy: 1.3591088732799337
Energy: 1.6020205597026893
Energy: 1.5114293827356151
Energy: 1.5901576436690776
Energy: 1.6503742643236794
Energy: 1.5838193383008659
Energy: 1.501013212760342
Energy: 1.5308894155787243
Energy: 1.59295769921153
Energy: 1.6402712184980892
Energy: 1.6103267683877405
Energy: 1.5899545870726497
Energy: 1.6400850841354186
Energy: 1.5878858460466378
Energy: 1.6068199988406437
Energy: 1.6612360189905817
Energy: 1.4355626812128546
Energy: 1.4983632338604886
Energy: 1.5410800603055368
Energy: 1.6914924264052305
Energy: 1.738012865663563
Energy: 1.6884054557335018
Energy: 1.7212096477270926
Energy: 1.3908388721071812
Energy: 1.4613925126207288
Energy: 1.6201886931571512
Energy: 1.5847404508104972
Energy: 1.716317846669389
Energy: 1.6347054842619777
Energy: 1.6208459464389793
Energy: 1.5585378547457767
Energy: 1.4698302840069344
Energy: 1.493472959223083
Energy: 1.5993301226972731
Energy: 1.812854118337569
Energy: 1.661916465908177
Energy: 1.580522161687925
Energy: 1.585813478925517
Energy: 1.5080266193043732
Energy: 1.552161840686247
Energy: 1.6285698806647793
Energy: 1.717234978760272
Energy: 1.3435901697284793
Energy: 1.5443335617060254
Energy: 1.530410534243754
Energy: 1.5725446102644958
Energy: 1.5903777675741841
Energy: 1.6540520093742899
Energy: 1.5473570049097665
Energy: 1.4119186902843808
Energy: 1.498804460503415
Energy: 1.6524832007018886
Energy: 1.69786940635007
Energy: 1.6612094747520556
Energy: 1.560479350535213
Energy: 1.5827075096215926
Energy: 1.4081401080912588
Energy: 1.5405512335654925
Energy: 1.5724439649031818
Energy: 1.7502818997246834
Energy: 1.7418936437589352
Energy: 1.503950503955008
Energy: 1.5005590968147933

minimum gb energy = 1.3109921514902638 eV
minimum distance =  2.4679317637944 Angstroms
sigma value = 311


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

Energy: 1.5039689084348935
Energy: 1.6604479001254149
Energy: 1.507231772075271
Energy: 1.6615543990202826
Energy: 1.5555162586522409
Energy: 1.504824102707959
Energy: 1.6069341336438159
Energy: 1.4803261625648008
Energy: 1.5801886198528972
Energy: 1.474144406489826
Energy: 1.564954615968058
Energy: 1.5504594945977894
Energy: 1.555840911197895
Energy: 1.556316541549375
Energy: 1.4814574602609418
Energy: 1.6058642533360732
Energy: 1.6166250626087313
Energy: 1.5994773186949383
Energy: 1.5726938833069506
Energy: 1.5999435121365977
Energy: 1.571054158451134
Energy: 1.4474535291881716
Energy: 1.5313435079856421
Energy: 1.4566264735506993
Energy: 1.5137294223656401
Energy: 1.544890141851135
Energy: 1.4584510454299062
Energy: 1.5655814849292362
Energy: 1.556684853543622
Energy: 1.661841656528299
Energy: 1.6218545177998132
Energy: 1.593914784287164
Energy: 1.5378444591486642
Energy: 1.5963662349047554
Energy: 1.6569725703469462
Energy: 1.5533745187027468
Energy: 1.5240279354040753
Energy: 1.4374060366214225
Energy: 1.6010307576485197
Energy: 1.5392482176414763
Energy: 1.506897292092303
Energy: 1.5301921138643497
Energy: 1.5056664491538634
Energy: 1.6324635745697897
Energy: 1.5047959264972843
Energy: 1.5959613516870177
Energy: 1.5807890049311994
Energy: 1.5089350186426898
Energy: 1.6279680760565673
Energy: 1.4748470770787063
Energy: 1.5663610467031097
Energy: 1.5521038166189418
Energy: 1.5408440693975654
Energy: 1.5426561828673742
Energy: 1.541434186496021
Energy: 1.4871567042187763
Energy: 1.539190818049334
Energy: 1.5931030790902148
Energy: 1.622123471062556
Energy: 1.5928981438938115
Energy: 1.5972857628848363
Energy: 1.6017713206762219
Energy: 1.5811845922847527
Energy: 1.4492777231649603
Energy: 1.5087897646165493
Energy: 1.4656942987312043
Energy: 1.5356396593721255
Energy: 1.5411583677600966
Energy: 1.4965914680754804
Energy: 1.5724140765100272
Energy: 1.5666912396584516
Energy: 1.6201151009188581
Energy: 1.5390168731203315
Energy: 1.5337366801957686
Energy: 1.6346219297068876
Energy: 1.5807550055872772
Energy: 1.7107818790762583
Energy: 1.5178130770591478
Energy: 1.5286210752314995
Energy: 1.501833337566346
Energy: 1.5443745361506365
Energy: 1.5735933201074253
Energy: 1.6131516266127734
Energy: 1.5109653671722136
Energy: 1.5021239850672807
Energy: 1.641314063806975
Energy: 1.5379088519756623
Energy: 1.5211580184064162
Energy: 1.5812848690457155
Energy: 1.5534723903909848
Energy: 1.6140452195756632
Energy: 1.4911444369070008
Energy: 1.5645895230079006
Energy: 1.5580218321038577
Energy: 1.5101245795981537
Energy: 1.4784432460710164
Energy: 1.5610340661375703
Energy: 1.5887461125196
Energy: 1.5113207693748938
Energy: 1.5322658101456406
Energy: 1.5532797455026406
Energy: 1.60053160490467
Energy: 1.5869901287057502
Energy: 1.625922477911998
Energy: 1.6104176550710494
Energy: 1.4550054748290329
Energy: 1.5264568553976978
Energy: 1.4630380568902628
Energy: 1.5939289421564315
Energy: 1.550488935854104
Energy: 1.5952030116421978
Energy: 1.5594926891548824
Energy: 1.5469273949389553
Energy: 1.667176137742346
Energy: 1.5841927690846065
Energy: 1.5398395218883445
Energy: 1.6238803490368634
Energy: 1.591511847156
Energy: 1.743955767067643
Energy: 1.5401079217050746
Energy: 1.592186411343171
Energy: 1.5338522593909838
Energy: 1.5113358632077434
Energy: 1.5614415459190678
Energy: 1.5988379917647164
Energy: 1.5690275028771485
Energy: 1.506127324521982
Energy: 1.6127230782860245
Energy: 1.559995911985758
Energy: 1.5144669002285274
Energy: 1.5546085829296226
Energy: 1.559970516902061
Energy: 1.5961684170929737
Energy: 1.4646587393191643
Energy: 1.5714605316197838
Energy: 1.5442322471410317
Energy: 1.5086963720490916
Energy: 1.4802720125958355
Energy: 1.5583184824925906
Energy: 1.581513449638365
Energy: 1.5256320917082822
Energy: 1.5399681234091729
Energy: 1.546328594911155
Energy: 1.5471136013192637
Energy: 1.5139347860118786
Energy: 1.513452122701933
Energy: 1.574103707884046
Energy: 1.4503763310017677
Energy: 1.4943265326592208
Energy: 1.4460853875687492
Energy: 1.5755250268962127
Energy: 1.5800712698957768
Energy: 1.5803546108876327
Energy: 1.5435676744353777
Energy: 1.5162570668725932
Energy: 1.7193200569191114
Energy: 1.6041479247039627
Energy: 1.548408548717577
Energy: 1.6168165726591108
Energy: 1.5980422074250218
Energy: 1.7434481082233515
Energy: 1.5214495594603508
Energy: 1.5933582990983977
Energy: 1.5730236679275555
Energy: 1.58568125836851
Energy: 1.562295166377953
Energy: 1.5837431960197328
Energy: 1.5148403313087706
Energy: 1.514318050472881
Energy: 1.6024835122208745
Energy: 1.5634615189347723
Energy: 1.5360454630805314
Energy: 1.601202449290007
Energy: 1.5880690042972145
Energy: 1.6193841229946684
Energy: 1.4603645778106056
Energy: 1.57260879715207
Energy: 1.559745162371102
Energy: 1.4825375447130542
Energy: 1.4773848130885943
Energy: 1.5406963196735404
Energy: 1.58963338537488
Energy: 1.5045191099050361
Energy: 1.5876912736154185
Energy: 1.5384664949608604
Energy: 1.5864030189221512
Energy: 1.5704175503348436
Energy: 1.4745238649212602
Energy: 1.574242570753649
Energy: 1.5417424872717627
Energy: 1.5855924498342904
Energy: 1.5158468605728306
Energy: 1.5546688327167282
Energy: 1.5753835867620147
Energy: 1.5017584992632398
Energy: 1.5404692431923452
Energy: 1.5611055074373825
Energy: 1.6888542363010344
Energy: 1.5577046092993438
Energy: 1.5668800704872226
Energy: 1.6067811875108458
Energy: 1.5638029360701198
Energy: 1.7127759372288218
Energy: 1.5180837781257945
Energy: 1.640711356428511
Energy: 1.572279139610851
Energy: 1.531215636316539
Energy: 1.560199539364388
Energy: 1.545256406008044
Energy: 1.6233811084774539
Energy: 1.5380862407166196
Energy: 1.5464999042307623
Energy: 1.6434132154332408
Energy: 1.5008458284631718
Energy: 1.5679252043373182
Energy: 1.4970273132548981
Energy: 1.6281373851135854
Energy: 1.5097573654677126
Energy: 1.5664548454974834
Energy: 1.5856377948301976
Energy: 1.5076797191680336
Energy: 1.5707192897150306
Energy: 1.5563409119253322
Energy: 1.588756816526456
Energy: 1.429690824365457
Energy: 1.5038197647827747
Energy: 1.5130999011295843
Energy: 1.5339697193272714
Energy: 1.5876463138321846
Energy: 1.4867645987689813
Energy: 1.6050339933906563
Energy: 1.5419309369275525
Energy: 1.5594730968753336
Energy: 1.495189839107326
Energy: 1.5919796875152967
Energy: 1.6068061729323193
Energy: 1.5231866855749374
Energy: 1.5526647241637546
Energy: 1.565398958075003
Energy: 1.6833673846548245
Energy: 1.5958326347479914
Energy: 1.561236533931133
Energy: 1.5461270088162595
Energy: 1.551559424380044
Energy: 1.6727461177700156
Energy: 1.5165127965417606
Energy: 1.651021558520907
Energy: 1.566016246737487
Energy: 1.5361343861268213
Energy: 1.5763686495151699
Energy: 1.535879648720972
Energy: 1.612552447551316

minimum gb energy = 1.429690824365457 eV
minimum distance =  2.42454993477473 Angstroms
sigma value = 39


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

Energy: 1.505927366099171
Energy: 1.4646390650329009
Energy: 1.693311627307863
Energy: 1.6437106641104924
Energy: 1.5211190464350874
Energy: 1.5380251667919316
Energy: 1.4153411940988787
Energy: 1.5420411663614382
Energy: 1.5587245867157105
Energy: 1.4923071386405575
Energy: 1.5269846729647316
Energy: 1.3806119325182196
Energy: 1.5257412174411698
Energy: 1.5048803333844127
Energy: 1.5711710545537807
Energy: 1.5583718420941308
Energy: 1.4680711691142858
Energy: 1.2109345291097016
Energy: 1.2573209221755608
Energy: 1.480462362969018
Energy: 1.5654002720105238
Energy: 1.3590779305123917
Energy: 1.4281460881439187
Energy: 1.4107888264113835
Energy: 1.3363535724052062
Energy: 1.4693003995171314
Energy: 1.457849327228161
Energy: 1.6209161360151612
Energy: 1.3822461427631236
Energy: 1.324142879416008
Energy: 1.3357700942343225
Energy: 1.4948558249275543
Energy: 1.6793520138313294
Energy: 1.6553946949831844
Energy: 1.5136748217933198
Energy: 1.2806687850329266
Energy: 1.3693011800715524
Energy: 1.3565889724062916
Energy: 1.5746685794007846
Energy: 1.4139944055117661
Energy: 1.571044404320351
Energy: 1.6067985908031963
Energy: 1.6592985748933655
Energy: 1.7693487341936167
Energy: 1.539454805292934
Energy: 1.5568928269156146
Energy: 1.388708403724213
Energy: 1.3859798014143305
Energy: 1.5586511924998687
Energy: 1.308688751089504
Energy: 1.5620541015766864
Energy: 1.5518297595250563
Energy: 1.5070459870582553
Energy: 1.5186578828640176
Energy: 1.6170930371968342
Energy: 1.556492049281539
Energy: 1.309487530319639
Energy: 1.6685205262641993
Energy: 1.4208252276520117
Energy: 1.3018644549626404
Energy: 1.4581934649673802
Energy: 1.5349983513060046
Energy: 1.54957419093073
Energy: 1.6217333008632093
Energy: 1.778827227816969
Energy: 1.4941326738101401
Energy: 1.2692800650577811
Energy: 1.338519023052732
Energy: 1.380492231764814
Energy: 1.5644808854952812
Energy: 1.3547192138111106
Energy: 1.4345944766650542
Energy: 1.3606898983859885
Energy: 1.3833745177213166
Energy: 1.3039645020878978
Energy: 1.5349884273426027
Energy: 1.657941447473214
Energy: 1.3834762331298152
Energy: 1.4125611761877939
Energy: 1.441774434762835
Energy: 1.5171604298827046
Energy: 1.4777526804350223
Energy: 1.6325135516150864
Energy: 1.555042863608804
Energy: 1.283465836213968
Energy: 1.4042340644638136
Energy: 1.327078226007204
Energy: 1.5902066395318222
Energy: 1.3774095620909974
Energy: 1.5416114340871474
Energy: 1.5522092730627248
Energy: 1.6032899257703697
Energy: 1.5228616366190386
Energy: 1.6247300525413757
Energy: 1.4733811110703912
Energy: 1.3918484266872442
Energy: 1.3728233644057715
Energy: 1.5700776570556683
Energy: 1.540989376456081
Energy: 1.5620415997507793
Energy: 1.6291131599302016
Energy: 1.653307995310681
Energy: 1.3680934038776442
Energy: 1.6335871700155125
Energy: 1.596528812613448
Energy: 1.5050106915070038
Energy: 1.562146999187959
Energy: 1.6711739343500132
Energy: 1.642698002619517
Energy: 1.5201998188894956
Energy: 1.5373770489531262
Energy: 1.415341009563156
Energy: 1.4628630219117251
Energy: 1.5734340860631097
Energy: 1.4901833692701791
Energy: 1.3266321843114859
Energy: 1.3801086130301932
Energy: 1.5489421038303492
Energy: 1.5561735755650807
Energy: 1.5718741248733896
Energy: 1.5517032271594975
Energy: 1.467422417738838
Energy: 1.2104645400953487
Energy: 1.2574692279138913
Energy: 1.4814935766202477
Energy: 1.5859435399082757
Energy: 1.452351131766292
Energy: 1.4199082047052767
Energy: 1.3992160561936142
Energy: 1.3379822476296284
Energy: 1.5250886616999209
Energy: 1.453622205074817
Energy: 1.590130173615529
Energy: 1.382692216901456
Energy: 1.3244237383999964
Energy: 1.3359123824148362
Energy: 1.4959825104492555
Energy: 1.6797676886825845
Energy: 1.6510727373486642
Energy: 1.5119471472973987
Energy: 1.2803517890615068
Energy: 1.328541805413201
Energy: 1.3561546666643103
Energy: 1.5744737543254603
Energy: 1.4219229304512901
Energy: 1.613598898796896
Energy: 1.6078115781821312
Energy: 1.6591753828236069
Energy: 1.7744622751308279
Energy: 1.3936958171536364
Energy: 1.5572220320187258
Energy: 1.388914741630185
Energy: 1.3873139642448902
Energy: 1.5585915384455218
Energy: 1.3084216879438462
Energy: 1.562069171161035
Energy: 1.5529347374624303
Energy: 1.4907587361641446
Energy: 1.5051530593487517
Energy: 1.616648271134483
Energy: 1.5596194020645773
Energy: 1.3085626624650875
Energy: 1.6684055486450544
Energy: 1.4208114509217067
Energy: 1.3049012598572665
Energy: 1.3811055257219849
Energy: 1.5346412896040067
Energy: 1.5503442046286822
Energy: 1.6201448980602702
Energy: 1.6369273672634352
Energy: 1.4956508217169986
Energy: 1.2689506789728033
Energy: 1.3568844404441256
Energy: 1.3779631458095174
Energy: 1.5648955909997744
Energy: 1.354824253708275
Energy: 1.434413319252941
Energy: 1.3603923866024878
Energy: 1.238688979345614
Energy: 1.3048467440734455
Energy: 1.4921007661199366
Energy: 1.6627095226800634
Energy: 1.38282050734464
Energy: 1.4117682081000633
Energy: 1.44125871335709
Energy: 1.5355023484610022
Energy: 1.4783861072774467
Energy: 1.659754811761881
Energy: 1.5548393076388989
Energy: 1.2847869980618134
Energy: 1.405600540020622
Energy: 1.3251281164129882
Energy: 1.5923515577301304
Energy: 1.3771689889771093
Energy: 1.5415587417479342
Energy: 1.5528123782019596
Energy: 1.6027896160097428
Energy: 1.5227146668046854
Energy: 1.3658594767243313
Energy: 1.4552882633426407
Energy: 1.3909083326142069
Energy: 1.3698256245264426
Energy: 1.5707668799038175
Energy: 1.5521565925603462
Energy: 1.5128129305352391
Energy: 1.6308948904959177
Energy: 1.4784804715871003
Energy: 1.3342155629288028
Energy: 1.4827673422119954
Energy: 1.5862614927316065

minimum gb energy = 1.2104645400953487 eV
minimum distance =  2.4692187513333 Angstroms
sigma value = 21


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

Energy: 1.6889000455130863
Energy: 1.589846896295584
Energy: 1.6952166847898331
Energy: 1.7167120725354152
Energy: 1.5108612892546402
Energy: 1.5796267318528916
Energy: 1.588999705580717
Energy: 1.5450807789894057
Energy: 1.6934604676252794
Energy: 1.718331629525331
Energy: 1.6860326144898443
Energy: 1.625719546328729
Energy: 1.6736028270216767
Energy: 1.6659748949932691
Energy: 1.4934256035857476
Energy: 1.5877002481809648
Energy: 1.6373703072487888
Energy: 1.5276007855405753
Energy: 1.5595447277031789
Energy: 1.6375339621866227
Energy: 1.5888825765194725
Energy: 1.5338568963595298
Energy: 1.5549412703893963
Energy: 1.401732072477982
Energy: 1.6362376454500864
Energy: 1.4153548175232988
Energy: 1.4233749384847754
Energy: 1.6010464517956355
Energy: 1.4757541003606698
Energy: 1.4658678938767415
Energy: 1.5926180987804124
Energy: 1.4376162170530864
Energy: 1.5816471881725265
Energy: 1.718168949740729
Energy: 1.4397167635654657
Energy: 1.3616610578502986
Energy: 1.381993003966593
Energy: 1.5366618381599135
Energy: 1.601601957568889
Energy: 1.6563887688274022
Energy: 1.5472658778703443
Energy: 1.5600100609701588
Energy: 1.5503979218342059
Energy: 1.663809660295107
Energy: 1.4914802709089643
Energy: 1.3929436778919675
Energy: 1.3630940456216993
Energy: 1.411900092787807
Energy: 1.577274479863654
Energy: 1.4688456725937904
Energy: 1.4188480658087972
Energy: 1.619366059231989
Energy: 1.5530282818536623
Energy: 1.4657705917991342
Energy: 1.5507600515627706
Energy: 1.3902189916738208
Energy: 1.4300651103238484
Energy: 1.5509092489185956
Energy: 1.6356029951354811
Energy: 1.5908743392332771
Energy: 1.593523801905846
Energy: 1.6959318661030602
Energy: 1.6619407685128726
Energy: 1.6430926229097595
Energy: 1.486307977909626
Energy: 1.446999607420146
Energy: 1.6739699854304542
Energy: 1.4684333615990166
Energy: 1.5643876201218814
Energy: 1.591839565085823
Energy: 1.6059111490548956
Energy: 1.632905568612968
Energy: 1.7341044991333228
Energy: 1.8118386533848585
Energy: 1.6322444564968452
Energy: 1.7336733180490793
Energy: 1.6754046040642439
Energy: 1.5133833759202135
Energy: 1.818732959794168
Energy: 1.7527081260623638
Energy: 1.7126272117387893
Energy: 1.6564358692301637
Energy: 1.7229850578299746
Energy: 1.6424757295827899
Energy: 1.6982669018820118
Energy: 1.7136026006665706
Energy: 1.6938062076107783
Energy: 1.6439928269312942
Energy: 1.7099435914486576
Energy: 1.4687046357802045
Energy: 1.6025192519029778
Energy: 1.660774886788835
Energy: 1.6070269454987214
Energy: 1.7061316462921914
Energy: 1.552325093836886
Energy: 1.5526233708408412
Energy: 1.5461773691642335
Energy: 1.6710847790814503
Energy: 1.506141622516835
Energy: 1.5822840598866474
Energy: 1.5393705816388388
Energy: 1.5065045030688258
Energy: 1.522158483285387
Energy: 1.6168497655668095
Energy: 1.6676933539983585
Energy: 1.6158601041744944
Energy: 1.5065349218274773
Energy: 1.441731469141594
Energy: 1.469896262221196
Energy: 1.500014388640837
Energy: 1.5858706427618918
Energy: 1.6525342669234784
Energy: 1.4847605348868866
Energy: 1.4835571486041135
Energy: 1.5363772403901865
Energy: 1.4938266222188543
Energy: 1.4784912399994985
Energy: 1.490759868232594
Energy: 1.6122514473975973
Energy: 1.4065035447145124
Energy: 1.4067201790067996
Energy: 1.4121818652108475
Energy: 1.6161617135555746
Energy: 1.6451072783088778
Energy: 1.5590052541938444
Energy: 1.602920344578628
Energy: 1.4832319267449474
Energy: 1.6173145569892804
Energy: 1.6657911071618736
Energy: 1.4218735178751842
Energy: 1.358048288179715
Energy: 1.4375870782678866
Energy: 1.4142575136527697
Energy: 1.6894514657303357
Energy: 1.5981387595366303
Energy: 1.6261775433501746
Energy: 1.4007501152440482
Energy: 1.3984033736331
Energy: 1.5175060376079186
Energy: 1.5238564803897559
Energy: 1.4593738606019282
Energy: 1.6426467612433042
Energy: 1.6045563245606251
Energy: 1.5299398442736398
Energy: 1.579283683680456
Energy: 1.5904986337850293
Energy: 1.6436591618118697
Energy: 1.694913117139922
Energy: 1.45436528851139
Energy: 1.4765282555999735
Energy: 1.5422955223736285
Energy: 1.582376713466892
Energy: 1.4925946722431611
Energy: 1.664774026602703
Energy: 1.6633258894381278
Energy: 1.5631255286499626
Energy: 1.6919725249693218
Energy: 1.545112343408115
Energy: 1.6568472190236672
Energy: 1.7006962325573518
Energy: 1.5854439255756194
Energy: 1.477028582934944
Energy: 1.6296676345715728
Energy: 1.5071003007821988
Energy: 1.6340409149848647
Energy: 1.575105789660208
Energy: 1.7035518985936426
Energy: 1.6401997830989654
Energy: 1.6603014921865242
Energy: 1.793001726247787
Energy: 1.7351047993992221
Energy: 1.683276175784827
Energy: 1.658983020618856
Energy: 1.7335581715570398
Energy: 1.6130356675425055

minimum gb energy = 1.358048288179715 eV
minimum distance =  2.47323932634802 Angstroms
sigma value = 113


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

Energy: 1.6885602882753594
Energy: 1.7288254998343935
Energy: 1.6565522899981182
Energy: 1.723575479724504
Energy: 1.6871359264681294
Energy: 1.637380946875517
Energy: 1.71439170236861
Energy: 1.686563547968976
Energy: 1.7367186427483672
Energy: 1.693885723843669
Energy: 1.7062400323435727
Energy: 1.7440292411547023
Energy: 1.6988122628366187
Energy: 1.7480468028864067
Energy: 1.7952711593848458
Energy: 1.598069970293497
Energy: 1.592228022951691
Energy: 1.5978188009273626
Energy: 1.6182353979831956
Energy: 1.619333312399393
Energy: 1.6366199929571692
Energy: 1.6675376750264657
Energy: 1.7039295621560038
Energy: 1.5554255460724384
Energy: 1.6462720343068833
Energy: 1.6142961981057367
Energy: 1.5998254443160054
Energy: 1.728615747960916
Energy: 1.535956100301045
Energy: 1.6349784186370342
Energy: 1.6042654521448323
Energy: 1.6211465551632482
Energy: 1.7420933398286624
Energy: 1.6342476998596094
Energy: 1.5600611441831573
Energy: 1.5307811742814463
Energy: 1.5418165136287914
Energy: 1.5858574267178867
Energy: 1.6607338793609616
Energy: 1.555549691228967
Energy: 1.542110765679503
Energy: 1.5770898309139034
Energy: 1.6345743601781837
Energy: 1.7326284821766698
Energy: 1.6832873986095434
Energy: 1.5346076390024646
Energy: 1.5697569984760986
Energy: 1.608193866177029
Energy: 1.63496296638907
Energy: 1.692208288481842
Energy: 1.5199030568067864
Energy: 1.5884687366185062
Energy: 1.573611638472429
Energy: 1.5771378330542376
Energy: 1.6089624678545167
Energy: 1.6388378799478607
Energy: 1.6431701319852834
Energy: 1.606098526709402
Energy: 1.5745619957173165
Energy: 1.6035465489800953
Energy: 1.5815465452350668
Energy: 1.5748360187247719
Energy: 1.6094268344121565
Energy: 1.5276819986045647
Energy: 1.491731342614471
Energy: 1.5701846980378635
Energy: 1.6831761978610493
Energy: 1.6431820815768763
Energy: 1.6781687007342987
Energy: 1.5537010875712807
Energy: 1.588199958489926
Energy: 1.5250507217811584
Energy: 1.603757580291902
Energy: 1.6585671320501587
Energy: 1.6493330607161607
Energy: 1.5705402201840992
Energy: 1.6036518157806292
Energy: 1.6875984588156117
Energy: 1.6846212084693932
Energy: 1.5890527824414002
Energy: 1.5162348356530273
Energy: 1.5134741680096055
Energy: 1.532093526440924
Energy: 1.5982133440557047
Energy: 1.6429823780812862
Energy: 1.4297119202733561
Energy: 1.5324053839052834
Energy: 1.5763658581335627
Energy: 1.5724816783182696
Energy: 1.5226202361292065
Energy: 1.4689341649081735
Energy: 1.564779412247149
Energy: 1.5881397302799378
Energy: 1.629630387654592
Energy: 1.634252589011702
Energy: 1.63582975996011
Energy: 1.6589340819724572
Energy: 1.5984816679211546
Energy: 1.5257188039695917
Energy: 1.548007844986821
Energy: 1.5284626768577478
Energy: 1.6493564198278814
Energy: 1.6305669957487263
Energy: 1.6084359552606258
Energy: 1.613631270456361
Energy: 1.4988771466161677
Energy: 1.6026951926521034
Energy: 1.6088838271362111
Energy: 1.591507973030994
Energy: 1.6143591485231743
Energy: 1.612431295818218
Energy: 1.5697350628410092
Energy: 1.6465807948831235
Energy: 1.7632152615801469
Energy: 1.617454772828333
Energy: 1.619822640355889
Energy: 1.5571489323656336
Energy: 1.5609129903251389
Energy: 1.714173652824164
Energy: 1.6124342746056068
Energy: 1.5662898549707978
Energy: 1.5810785314995182
Energy: 1.60541219259849
Energy: 1.5086441057859148
Energy: 1.5520678396143661
Energy: 1.565502057177668
Energy: 1.6404644333202474
Energy: 1.6543778024766431
Energy: 1.6228724104091252
Energy: 1.6533837571987289
Energy: 1.6593887293126592
Energy: 1.7012168911834618
Energy: 1.6947587540102909
Energy: 1.660692995286547
Energy: 1.6845568199197316
Energy: 1.6231928370960542
Energy: 1.6639699355085853
Energy: 1.694758762830727
Energy: 1.5970554258305267
Energy: 1.7206351861317648
Energy: 1.7096987630509386
Energy: 1.7190481550521688
Energy: 1.6953072952202974
Energy: 1.6914684968341032
Energy: 1.696397311325052
Energy: 1.65759721432546
Energy: 1.7540197186534312
Energy: 1.7406702505757417
Energy: 1.8405440560587372
Energy: 1.6734807644661556
Energy: 1.8019692453638623
Energy: 1.6950163308607473
Energy: 1.6408752289861217
Energy: 1.757704719011964
Energy: 1.6895631179600377
Energy: 1.7387183876598948
Energy: 1.6563520738420654
Energy: 1.7257004364769672
Energy: 1.6922627394612446
Energy: 1.654686403823836
Energy: 1.71708176275176
Energy: 1.7087596956788567
Energy: 1.7401321675975367
Energy: 1.6351563649481946
Energy: 1.69364635293874
Energy: 1.745093269352929
Energy: 1.6806655662637915
Energy: 1.7544038236200254
Energy: 1.6854473481666452
Energy: 1.5960158213544267
Energy: 1.6008134291613723
Energy: 1.602162182405815
Energy: 1.5755224282577327
Energy: 1.6250124671215038
Energy: 1.677620891939336
Energy: 1.6717671580829996
Energy: 1.708683686605236
Energy: 1.5577211422602972
Energy: 1.6631220786818386
Energy: 1.625743899901095
Energy: 1.548594357558256
Energy: 1.7524353493130282
Energy: 1.524911399652594
Energy: 1.628729117098274
Energy: 1.6044797717438037
Energy: 1.6231711726199616
Energy: 1.669384155871271
Energy: 1.6365520768441622
Energy: 1.57700204572266
Energy: 1.5185883277130534
Energy: 1.5695238442667434
Energy: 1.5757079698668133
Energy: 1.6644146457914448
Energy: 1.55195580150506
Energy: 1.559650433460897
Energy: 1.579069739467235
Energy: 1.636199676706048
Energy: 1.6791642685511117
Energy: 1.681339654536869
Energy: 1.5780811421466885
Energy: 1.5463515647402841
Energy: 1.5886889320682913
Energy: 1.5840141408466732
Energy: 1.691427112885012
Energy: 1.510706116475122
Energy: 1.5679070741676866
Energy: 1.5708470455141739
Energy: 1.5585932867530878
Energy: 1.5549919714899372
Energy: 1.5664611932711197
Energy: 1.6649878307941288
Energy: 1.6144277428334621
Energy: 1.5711223473920475
Energy: 1.6307278241918608
Energy: 1.5600087055718308
Energy: 1.56970590286325
Energy: 1.610896429329956
Energy: 1.5648534723739667
Energy: 1.4864197425607517
Energy: 1.6082217421288
Energy: 1.692126938596792
Energy: 1.6272918325157366
Energy: 1.6520515445186894
Energy: 1.5520768487732475
Energy: 1.55282433587709
Energy: 1.478697519676471
Energy: 1.596595484788988
Energy: 1.6591032710622207
Energy: 1.6696220685302445
Energy: 1.571565676084502
Energy: 1.6095854472192201
Energy: 1.6816579651029535
Energy: 1.6795345842189042
Energy: 1.5822401673434983
Energy: 1.5317694671825415
Energy: 1.5056551246757224
Energy: 1.5377518407049773
Energy: 1.6090391317707937
Energy: 1.663367004188077
Energy: 1.476071682377538
Energy: 1.5523463447923116
Energy: 1.573340898610764
Energy: 1.567313926656554
Energy: 1.5793454800582434
Energy: 1.4848345285226574
Energy: 1.5674987464734311
Energy: 1.5841728958737518
Energy: 1.64625483676785
Energy: 1.6362290875615086
Energy: 1.6406780275167465
Energy: 1.6479486314789136
Energy: 1.6112235593858146
Energy: 1.521308727832976
Energy: 1.5530727497277714
Energy: 1.5270340558846354
Energy: 1.6540574329536448
Energy: 1.5799021665409834
Energy: 1.604242309855919
Energy: 1.6057318320735834
Energy: 1.4974295780693452
Energy: 1.5863323560848124
Energy: 1.614827809200063
Energy: 1.6300908898255622
Energy: 1.6154327118319025
Energy: 1.6218846262485083
Energy: 1.583264194921912
Energy: 1.630695716610486
Energy: 1.7301251692181074
Energy: 1.6246423015186577
Energy: 1.6105110888786094
Energy: 1.5584872369190967
Energy: 1.5066506167656346
Energy: 1.7160779196875708
Energy: 1.6205040073038552
Energy: 1.5625233721762768
Energy: 1.5812458043196358
Energy: 1.6111558617784023
Energy: 1.5951557604238948
Energy: 1.5518453792592448
Energy: 1.555052971290094
Energy: 1.6317347874898596
Energy: 1.6231371817139224
Energy: 1.6254916101794574
Energy: 1.6620395346431234
Energy: 1.6706851266520357
Energy: 1.6978518554673272
Energy: 1.6855404073964675
Energy: 1.687171454849092
Energy: 1.6793258777282654
Energy: 1.548861904208232
Energy: 1.6560439969757421
Energy: 1.7043066979415296
Energy: 1.60655652808597
Energy: 1.7224164179904145
Energy: 1.700431908476363
Energy: 1.7253717247761051
Energy: 1.6963933388393742
Energy: 1.7498777212532586
Energy: 1.7092784162948367
Energy: 1.6539802955249305
Energy: 1.7482036411206983
Energy: 1.7429212326863346
Energy: 1.8455202694418773
Energy: 1.6693080476577553
Energy: 1.7383497735177067
Energy: 1.7165415342358044
Energy: 1.6331570467758276
Energy: 1.7540908376559388
Energy: 1.661189899074359
Energy: 1.756629026222838
Energy: 1.6847983289623973
Energy: 1.681825179355296
Energy: 1.6956756922949832
Energy: 1.670249667431359
Energy: 1.6995144628365733

minimum gb energy = 1.4297119202733561 eV
minimum distance =  2.40582208251682 Angstroms
sigma value = 365


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

Energy: 1.431297231467512
Energy: 1.378421806375086
Energy: 1.3206179394049757
Energy: 1.355533016075101
Energy: 1.3419173462521143
Energy: 1.3482733161615448
Energy: 1.3805866761036838
Energy: 1.3701229730160973
Energy: 1.6180658405076525
Energy: 1.382914082881507
Energy: 1.3736063143179964
Energy: 1.3795309513311549
Energy: 1.3801527638356694
Energy: 1.6267693533938006
Energy: 1.4017739684922637
Energy: 1.5367260040877682
Energy: 1.3844782884552587
Energy: 1.3749004115866208
Energy: 1.3611908248429028
Energy: 1.3835145448001314
Energy: 1.3694915423235547
Energy: 1.3206852331563255
Energy: 1.6076314708871944
Energy: 1.3221246159467817
Energy: 1.3721687053858733
Energy: 1.3682651128056633
Energy: 1.3211051525657616
Energy: 1.367767276606808
Energy: 1.5545140729094147
Energy: 1.6200103180601513
Energy: 1.4124925923785745
Energy: 1.841000444755708
Energy: 1.3742901679884338
Energy: 1.4124884525828516
Energy: 1.6197553582968445
Energy: 1.3193660623043377
Energy: 1.5974896225926016
Energy: 1.3210987532182206
Energy: 1.356338920097366
Energy: 1.3425211599341884
Energy: 1.3208021467159927
Energy: 1.3816095629322491
Energy: 1.3961486559957659
Energy: 1.611237239612118
Energy: 1.3808023640690055
Energy: 1.3727197238813857
Energy: 1.3840569867437131
Energy: 1.3812327888123983
Energy: 1.6091869460625274
Energy: 1.3968406106134015
Energy: 1.5337013785174736
Energy: 1.3808489529972945
Energy: 1.382458485864827
Energy: 1.380610197049135
Energy: 1.3849227646495808
Energy: 1.607097202809003
Energy: 1.3199049962694405
Energy: 1.6134467733985332
Energy: 1.3214887796891912
Energy: 1.3711700322121296
Energy: 1.3444972561642834
Energy: 1.3211230320629659
Energy: 1.367101310438643
Energy: 1.5591464251455671
Energy: 1.5547384452257205
Energy: 1.4128480412776012
Energy: 1.7503264217731551
Energy: 1.8364456634394568
Energy: 1.4120082624483354
Energy: 1.6281662153282046
Energy: 1.320214404715767
Energy: 1.6145878626473318
Energy: 1.3229427199383728
Energy: 1.371694940365034
Energy: 1.3453046277361804
Energy: 1.3216740279262076
Energy: 1.3668424082655595
Energy: 1.3991866921967593
Energy: 1.529236247262263
Energy: 1.3827289741922182
Energy: 1.3606770838915907
Energy: 1.3799954344893202
Energy: 1.3843525017183897
Energy: 1.6066137559705136
Energy: 1.395724819366878
Energy: 1.6262341554704673
Energy: 1.3805134401685732
Energy: 1.3842422695123886
Energy: 1.3721496768182744
Energy: 1.3815502115851486
Energy: 1.626015566534401
Energy: 1.3197109298622245
Energy: 1.5949512509180914
Energy: 1.3204729446552956
Energy: 1.356579544444148
Energy: 1.3426763396196835
Energy: 1.3213964391830473
Energy: 1.3810008400931535
Energy: 1.4368561919210447
Energy: 1.6277090357566115
Energy: 1.4121850367249398
Energy: 1.374711862476759
Energy: 1.3801881364182185
Energy: 1.3810407673385166
Energy: 1.6191813862054407
Energy: 1.398192975188071
Energy: 1.6066146368137408
Energy: 1.3223275423226812
Energy: 1.3733030437446059
Energy: 1.3599321220348533
Energy: 1.3215282926488698
Energy: 1.3678233612146737
Energy: 1.4001606572258434
Energy: 1.5390554985036229
Energy: 1.3230972370941971
Energy: 1.3566005016885254
Energy: 1.3580606468837169
Energy: 1.3223209321800293
Energy: 1.368957284798637
Energy: 1.3706144460429106
Energy: 1.619437522606625
Energy: 1.3830813811387557
Energy: 1.379850054472688
Energy: 1.373432581290666
Energy: 1.3806966252356432
Energy: 1.6280401134163403
Energy: 1.3235134018554586
Energy: 1.6059308163848014
Energy: 1.3205675779524049
Energy: 1.3556375612465286
Energy: 1.3420422395561324
Energy: 1.3204101109396313
Energy: 1.3806930877795054
Energy: 1.396258418432865
Energy: 1.6262334043562439
Energy: 1.3816439610251847
Energy: 1.3738453122799557
Energy: 1.384512744804716
Energy: 1.3807136869829337
Energy: 1.6261741742538431

minimum gb energy = 1.3193660623043377 eV
minimum distance =  2.47641834090944 Angstroms
sigma value = 23