Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456936597833
cohesive_energy=4.17898683463013
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-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: 0.015456663392924975
Energy: 1.485491980547223
Energy: 1.4359220136227444
Energy: 0.01676896404823214
Energy: 0.01583276368697045
Energy: 1.6293012199040098
Energy: 0.016092045467154124
Energy: 0.1752784471774231
Energy: 0.203803694516748
Energy: 0.3462028373635434
Energy: 0.17484110763520283
Energy: 0.34493372882848
Energy: 0.3442806419220261
Energy: 0.1749106595208508
Energy: 0.17550154399947399
Energy: 0.20678106444219807
Energy: 0.34546067876471787
Energy: 0.17524592648792411
Energy: 0.17553679684844992
Energy: 0.3446919442961625
Energy: 0.17468029483618797
Energy: 0.17559144210871813
Energy: 0.2035401810231031
Energy: 0.3471903142186958
Energy: 0.1755203828726988
Energy: 0.17516821407277305
Energy: 0.34653970019663366
Energy: 0.17566275194898157
Energy: 0.17480070415701474
Energy: 0.2032856060100268
Energy: 0.34565302777096224
Energy: 0.17657065228937216
Energy: 0.17455620625940962
Energy: 0.3454621854378274
Energy: 0.17566988693488383
Energy: 0.01584477182933289
Energy: 0.3419670326932188
Energy: 0.17559536007518045
Energy: 0.0167997736757297
Energy: 0.01717455582772916
Energy: 0.34403849586668545
Energy: 0.17508669895104048

minimum gb energy = 0.015456663392924975 eV
minimum distance =  2.47145571518873 Angstroms
sigma value = 5


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

Energy: 2.5453907235356312
Energy: 2.091841107173348
Energy: 1.8584949681117668
Energy: 1.8175824733752468
Energy: 1.6886153182269272
Energy: 2.2244785082942493
Energy: 1.7915411254377285
Energy: 1.6773804240351056
Energy: 1.522271962722018
Energy: 1.639628861445348
Energy: 1.6243291401450388
Energy: 1.5639992099761362
Energy: 1.6467300876974909
Energy: 1.5583591295911983
Energy: 1.4679753725808187
Energy: 1.4111723810022985
Energy: 1.4817292555838144
Energy: 1.4173499284794797
Energy: 1.4756739824668963
Energy: 1.5017341886513298
Energy: 1.4060141645663933
Energy: 1.4311012573922053
Energy: 1.4512848959572904
Energy: 1.4289381173277897
Energy: 1.3837739936189108
Energy: 1.4186089486621922
Energy: 1.4519955964494302
Energy: 1.4252103556461935
Energy: 1.4441089402167369
Energy: 1.478491514077414
Energy: 1.493766053105851
Energy: 1.4255938185767596
Energy: 1.4317146026903644
Energy: 1.5079212515664933
Energy: 1.431582784176753
Energy: 1.469844862456461
Energy: 1.442419681053961
Energy: 1.392222182112388
Energy: 1.4574156513322702
Energy: 1.439434771152052
Energy: 1.407971899596059
Energy: 1.4360366634027024
Energy: 1.4019998289778401
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Energy: 1.406292115371014
Energy: 1.4501686675636694
Energy: 1.4692947024519067
Energy: 1.395657764147005
Energy: 1.431296305938705
Energy: 1.4544301577904533
Energy: 1.5191863032517074
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Energy: 1.5711055241577139
Energy: 1.5238938007987712
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Energy: 1.4663494000493948
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Energy: 1.693701751445107
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Energy: 1.4108853628581626
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Energy: 1.6059796013635073
Energy: 1.5176080955495541
Energy: 1.5862769130484575
Energy: 1.618123102756491
Energy: 1.6127600435551206
Energy: 1.5632985490899616
Energy: 1.7004271207038524
Energy: 1.581901836312264
Energy: 1.6488918877807486
Energy: 1.6387687898791274
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Energy: 1.6724794954399735
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Energy: 1.5008624080829467
Energy: 1.6225533984394371
Energy: 1.554673566889543
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Energy: 1.5072483564396324
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Energy: 1.5727235639703467
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Energy: 1.6456775342327932
Energy: 1.6462404868211276
Energy: 1.3440205755097445
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Energy: 1.415187594683262
Energy: 1.5973922726723178
Energy: 1.4312256187238226
Energy: 1.412959203562683
Energy: 1.5540127903779937
Energy: 1.3584590778474361
Energy: 1.3636556532918593
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Energy: 1.4126459418128923
Energy: 1.3887091913386385
Energy: 1.3581548713166427
Energy: 1.4094064153790873
Energy: 1.3315218695165638
Energy: 1.3831186028172386
Energy: 1.3773550442509381
Energy: 1.3912370896972208
Energy: 1.3501387788843389
Energy: 1.3579073564228936
Energy: 1.388401299969547
Energy: 1.5526045746481858
Energy: 1.5632589691207397
Energy: 1.5267040905831768
Energy: 1.492661991420068
Energy: 1.4960309539759657
Energy: 1.557332041265183
Energy: 1.5211789317629594
Energy: 1.5507935896774
Energy: 1.553493317502457
Energy: 1.544839113005213
Energy: 1.5207017930482623
Energy: 1.5620041007157313
Energy: 1.5669608861391509
Energy: 1.387468627210123
Energy: 1.4987337134658862
Energy: 1.4945063440763282
Energy: 1.5787626427858452
Energy: 1.3934691066448353
Energy: 1.5445171013967751
Energy: 1.6058255037302385
Energy: 1.3781647592109048
Energy: 1.5303729576123761
Energy: 1.4968738046458974
Energy: 1.6986049331362683
Energy: 1.5172340353523224
Energy: 1.518667502663903
Energy: 1.624085519385385
Energy: 1.5270612333362756
Energy: 1.5582779589367852
Energy: 1.805016939208485
Energy: 1.7307150066451729
Energy: 1.5758776625628745
Energy: 1.6898011414047085
Energy: 1.74736387503254
Energy: 1.7200045027380115

minimum gb energy = 1.3315218695165638 eV
minimum distance =  2.27561602127886 Angstroms
sigma value = 401


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

Energy: 2.238119984955308
Energy: 2.061762234301751
Energy: 2.0365693357774224
Energy: 1.885645276144023
Energy: 2.1054256358941417
Energy: 2.16147721878804
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Energy: 1.4896234255352014
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Energy: 1.8285242758385818
Energy: 1.54199101008715
Energy: 1.4966092745923414
Energy: 1.8337883092558
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Energy: 1.471480888467281
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Energy: 1.4941283274969224
Energy: 1.4939972065725615
Energy: 1.5100198541212906
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Energy: 1.5315682269242914
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Energy: 1.5022219323281722
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Energy: 1.5430324374608964
Energy: 1.5579914034957048
Energy: 1.5742130050198322
Energy: 1.5252249194797445
Energy: 1.5078778053708182
Energy: 1.4557108682065958
Energy: 1.5621668360921115
Energy: 1.6205306643771198
Energy: 1.4116446175212156
Energy: 1.5524349092373138
Energy: 1.5229203915088934
Energy: 1.5425491658650985
Energy: 1.5577560963262955
Energy: 1.5573620453547863
Energy: 1.5757445299553496
Energy: 1.55066883337241
Energy: 1.5600848463702746
Energy: 1.6665483484788035
Energy: 1.6163862646746767
Energy: 1.570496093636634
Energy: 1.6261314309054486
Energy: 1.5859810617586783
Energy: 1.6047169793843563
Energy: 1.6413319353546292
Energy: 2.0862429501820814
Energy: 1.683369748854111
Energy: 1.6069624212886047
Energy: 1.9446617250114027
Energy: 2.252994322823194
Energy: 1.564656963335552
Energy: 1.7838559876662397
Energy: 1.6983783262169894
Energy: 1.60425125096941
Energy: 1.580335090441715
Energy: 1.5821754238102637
Energy: 1.557581969264334
Energy: 1.6120601798870229
Energy: 1.6086162004429794
Energy: 1.5856476088826938
Energy: 1.5879364251691075
Energy: 1.6004179794745108
Energy: 1.5654917052175188
Energy: 1.6066989596823296
Energy: 1.5984888134119302
Energy: 1.6094298940303406
Energy: 1.7985507277682273
Energy: 1.6617625556728675
Energy: 1.5397796344304078
Energy: 1.6849238230861712
Energy: 1.7932004683105751
Energy: 1.521819419990011
Energy: 1.5894820853084561
Energy: 1.6392396326152847
Energy: 1.573322390462748
Energy: 1.5953143095323952
Energy: 1.6081435483365825
Energy: 1.56115908179074
Energy: 1.5503572683052347
Energy: 1.6287500400297672
Energy: 1.4243696666463537
Energy: 1.3582351882396688
Energy: 1.4867309536199567
Energy: 1.4719083626876353
Energy: 1.3696126937556645
Energy: 1.467734443647477
Energy: 1.4500762520663117
Energy: 1.4097951978541432
Energy: 1.4255072012106345
Energy: 1.4476819799767173
Energy: 1.436962915985284
Energy: 1.4163780934896248
Energy: 1.4108542003736033
Energy: 1.4976476035378583
Energy: 1.4037575994030016
Energy: 1.4588150373336113
Energy: 1.5384763529067516
Energy: 1.4512446404167916
Energy: 1.3632963426258036
Energy: 1.5388657067552425
Energy: 1.500405082675506
Energy: 1.5023209799283117
Energy: 1.6852532384957293
Energy: 1.7811328760943703
Energy: 1.479389135370502
Energy: 1.6101704627486373
Energy: 1.73690554593769
Energy: 1.597765027974899
Energy: 1.6697963095653299
Energy: 1.5745680687998045
Energy: 1.8718402295530452
Energy: 1.487022572133505
Energy: 1.5585274151820718
Energy: 1.786432363212791
Energy: 1.604140649426174
Energy: 1.4966996074116676
Energy: 1.615027296265506
Energy: 1.7478265716458188
Energy: 1.4946227483807966
Energy: 1.4638495974871775
Energy: 1.797861586307863
Energy: 1.6334508089406403
Energy: 1.4042899668486932
Energy: 1.5016704346490664
Energy: 1.8024948759877084
Energy: 1.5416117303807768
Energy: 1.5488510494334768
Energy: 1.7748889176247362
Energy: 1.584036378724386

minimum gb energy = 1.3093029556851994 eV
minimum distance =  2.29601179747378 Angstroms
sigma value = 311


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

Energy: 1.8159523410731557
Energy: 2.0779927517102603
Energy: 1.9018649909106236
Energy: 1.6260137662785727
Energy: 1.7984459633258811
Energy: 1.816532738028559
Energy: 1.6346546148163472
Energy: 1.5521966231305104
Energy: 1.604649233556312
Energy: 1.5288285094822494
Energy: 1.408646473963459
Energy: 1.3726486008126588
Energy: 1.3670786876851933
Energy: 1.3739582530166616
Energy: 1.6498691297536132
Energy: 1.5673593928422345
Energy: 1.4627864609172554
Energy: 1.487721214774484
Energy: 1.4108806154726745
Energy: 1.4117517308128096
Energy: 1.4253647248941637
Energy: 1.564637261032316
Energy: 1.6003003261137205
Energy: 1.527809292623559
Energy: 1.5541225603979845
Energy: 1.5813184070662711
Energy: 1.5608482344056256
Energy: 1.5297018765304757
Energy: 1.4542246813551538
Energy: 1.4843014621605322
Energy: 1.425810912291868
Energy: 1.473548253092989
Energy: 1.513094780516154
Energy: 1.433056833961162
Energy: 1.455898531376637
Energy: 1.6021608783486954
Energy: 1.597820712091738
Energy: 1.5718172580399807
Energy: 1.6066069857116774
Energy: 1.563811472731415
Energy: 1.5843299414014427
Energy: 1.5666670773103448
Energy: 1.5893324960724209
Energy: 1.5646380916068068
Energy: 1.570666400341974
Energy: 1.5823902461261217
Energy: 1.562476556972981
Energy: 1.5721106453016098
Energy: 1.5688698327764172
Energy: 1.6130079209044195
Energy: 1.5982584668502569
Energy: 1.6032876503118305
Energy: 1.6324604525371906
Energy: 1.6021378405083186
Energy: 1.621448009738875
Energy: 1.6286105088659415
Energy: 1.5180871003339413
Energy: 1.5991129303283422
Energy: 1.6780890384822689
Energy: 1.7333310746061126
Energy: 1.7996358923299067
Energy: 1.6104997390661684
Energy: 1.7331904793167296
Energy: 1.5024989995686484
Energy: 1.6249267257547457
Energy: 1.8032317140331597
Energy: 1.7024496830321547
Energy: 1.7837647880505099
Energy: 1.7435072581731428
Energy: 1.592690748076105
Energy: 1.5831139982972726
Energy: 1.5989847024140338
Energy: 1.655578896712448
Energy: 1.6585445160299546
Energy: 1.5874198007243399
Energy: 1.6624086268852685
Energy: 1.6027991737056047
Energy: 1.5484772488639778
Energy: 1.5740087838391559
Energy: 1.5383970120239439
Energy: 1.6085892145645455
Energy: 1.6580644367163258
Energy: 1.5935431195340022
Energy: 1.5103712809019212
Energy: 1.5278820214942694
Energy: 1.5895439251634549
Energy: 1.598957420002165
Energy: 1.6073911439212627
Energy: 1.6420291548014825
Energy: 1.5524707295153626
Energy: 1.5068912894165059
Energy: 1.4210581203229946
Energy: 1.4215549292912788
Energy: 1.3800747574112004
Energy: 1.5009956745094095
Energy: 1.4184489817832955
Energy: 1.4032323274788674
Energy: 1.3710325981980866
Energy: 1.4668142964840398
Energy: 1.4892705261834642
Energy: 1.5357272794524102
Energy: 1.581353528397603
Energy: 1.4954720982540666
Energy: 1.5190262597301285
Energy: 1.4745365449454821
Energy: 1.6062650532711156
Energy: 1.601646890686655
Energy: 1.6141438246235653
Energy: 1.5617612785615747
Energy: 1.5526520373729116
Energy: 1.5307727219502154
Energy: 1.6495433511918092
Energy: 1.5529376819893181
Energy: 1.4862669383363853
Energy: 1.4294540458964045
Energy: 1.496511861815875
Energy: 1.5034078548579528
Energy: 1.4555837424493687
Energy: 1.489913257058706
Energy: 1.583767040696743
Energy: 1.6051039425088147
Energy: 1.5774843105473886
Energy: 1.6107097875955922
Energy: 1.6188377516739045
Energy: 1.5721312661666658
Energy: 1.5929961319502388
Energy: 1.5942767077117475
Energy: 1.5859581954665842
Energy: 1.532456371947627
Energy: 1.5789749935424156
Energy: 1.5857830801903567
Energy: 1.5520710673785751
Energy: 1.5787206551719781
Energy: 1.6453837317029305
Energy: 1.6825537354765825
Energy: 1.5692575340571528
Energy: 1.5971381871989505
Energy: 1.6473222417806
Energy: 1.6090667980137958
Energy: 1.6136230896415331
Energy: 1.8256240167241493
Energy: 1.6907797126256083
Energy: 1.643764287008015
Energy: 1.7056626902576382
Energy: 1.8007058790441242
Energy: 1.697122252261957
Energy: 1.769093977531988
Energy: 1.6791726326813028
Energy: 1.7123457378665266
Energy: 1.707354106781203
Energy: 1.7004822575667924
Energy: 1.7569656916990353
Energy: 1.7257411750717542
Energy: 1.7145967381747478
Energy: 1.6934244803841334
Energy: 1.6794814925137251
Energy: 1.635904907286672
Energy: 1.6044399031995742
Energy: 1.7097084574300068
Energy: 1.6277075751672718
Energy: 1.6921902454248006
Energy: 1.6175508671769068
Energy: 1.5730814103874453
Energy: 1.5762858431556328
Energy: 1.5651138108035358
Energy: 1.5750791131974688
Energy: 1.5827800321594312
Energy: 1.5938540231584923
Energy: 1.5569251565716378
Energy: 1.5906704016361668
Energy: 1.5940997144905875
Energy: 1.5822134930778828
Energy: 1.5878159117625186
Energy: 1.5644400139637848
Energy: 1.5656769898293252
Energy: 1.434824670696887
Energy: 1.468108541558028
Energy: 1.462267467101023
Energy: 1.4926547991118508
Energy: 1.4251726315266968
Energy: 1.4671724408045128
Energy: 1.4267219161464564
Energy: 1.501483486710269
Energy: 1.5255291229819996
Energy: 1.5351194755141904
Energy: 1.5600425741440789
Energy: 1.5013685153868324
Energy: 1.5587520026586197
Energy: 1.5860621698482575
Energy: 1.595227506046459
Energy: 1.5669182114148386
Energy: 1.589484310360709
Energy: 1.528253641489794
Energy: 1.5319039542345152
Energy: 1.6156981858584358
Energy: 1.5490849929144892
Energy: 1.6001967273516515
Energy: 1.6466496155743322
Energy: 1.4691620646250956
Energy: 1.4490628009017572
Energy: 1.4126875012063025
Energy: 1.4698056201835017
Energy: 1.6142928390360716
Energy: 1.5492850586868565
Energy: 1.5797531133896203
Energy: 1.6414283109186398
Energy: 1.5871079897538887
Energy: 1.5809359431975312
Energy: 1.6277781836563867
Energy: 1.6159202614158856
Energy: 1.5912876262272084
Energy: 1.5851486553806395
Energy: 1.6143262973205652
Energy: 1.6132789872105155
Energy: 1.5754474899636346
Energy: 1.6097690647437333
Energy: 1.599791909727591
Energy: 1.702862113698962
Energy: 1.6325819303066684
Energy: 1.6699203796584916
Energy: 1.6300694163413612
Energy: 1.5913964781980294
Energy: 1.6403155601428796
Energy: 1.6418444629527038
Energy: 1.7300583450261775
Energy: 1.7735639267704282
Energy: 1.7014158411575886
Energy: 1.7298553346616454
Energy: 1.7906844331721399
Energy: 1.7828637469707058
Energy: 1.7427422546011346
Energy: 1.7479041319648687
Energy: 1.7400679300248756
Energy: 1.7097163902426122
Energy: 1.6959154272295482
Energy: 1.6285877422258783
Energy: 1.6418928285883225
Energy: 1.6359841066863468
Energy: 1.7057046176375161
Energy: 1.6627038003431884
Energy: 1.6012423856257152
Energy: 1.6053555988402746
Energy: 1.5685826621338967
Energy: 1.5653251662811722
Energy: 1.5636201887386478
Energy: 1.545647705631106
Energy: 1.62380520442094
Energy: 1.6050889037627547
Energy: 1.5710953548580369
Energy: 1.583176999017389
Energy: 1.5128076430763497
Energy: 1.5801369198913904

minimum gb energy = 1.3670786876851933 eV
minimum distance =  2.25481955142951 Angstroms
sigma value = 39


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

Energy: 1.6466919757223923
Energy: 2.063901264043967
Energy: 2.2757776449727323
Energy: 1.6461225308751612
Energy: 1.6461495902855414
Energy: 2.4136111226367607
Energy: 1.6041781860424233
Energy: 1.4221114727686872
Energy: 1.4838941121595237
Energy: 1.3555597653321312
Energy: 1.433235258553398
Energy: 1.3349847356038627
Energy: 1.356897673595411
Energy: 1.3898096791364027
Energy: 1.410751128591393
Energy: 1.3449572826550542
Energy: 1.3043741824540984
Energy: 1.340439387814946
Energy: 1.376761917109166
Energy: 1.3334919415590298
Energy: 1.3420478052579659
Energy: 1.4838365788857064
Energy: 1.268733765392237
Energy: 1.42030593065426
Energy: 1.4697800901579074
Energy: 1.3199879039149034
Energy: 1.2618494648193577
Energy: 1.4395368004380154
Energy: 1.4982550538924877
Energy: 1.3703878937562814
Energy: 1.3915700053040425
Energy: 1.35984476701722
Energy: 1.3648812465254394
Energy: 1.3831486768915315
Energy: 1.438303425550893
Energy: 1.419218821337848
Energy: 1.2991467070021379
Energy: 1.3068919249277897
Energy: 1.41258161641381
Energy: 1.4007420103456185
Energy: 1.3067531323021675
Energy: 1.37793460818348
Energy: 1.3725449758251929
Energy: 1.2930538105942029
Energy: 1.3894813037162943
Energy: 1.347233705916316
Energy: 1.3858482749125849
Energy: 1.3756722019547925
Energy: 1.330573729046004
Energy: 1.3354688579452874
Energy: 1.3742061261179714
Energy: 1.3843957886575011
Energy: 1.2862844475024313
Energy: 1.3322952115350704
Energy: 1.3630888046643705
Energy: 1.3234276341602953
Energy: 1.4106171577462114
Energy: 1.4208544913831715
Energy: 1.6140716973075169
Energy: 1.3973170648379358
Energy: 1.398438360417411
Energy: 1.5740551445591597
Energy: 1.3912089976750814
Energy: 1.4587997003237136
Energy: 1.4344942584297051
Energy: 1.629700486686192
Energy: 1.4659263049393678
Energy: 1.4116769892945462
Energy: 1.605016709047267
Energy: 1.4976495267656635
Energy: 1.4095962559886714
Energy: 1.433254326201922
Energy: 1.3545540610321973
Energy: 1.484711651660576
Energy: 1.4676167033512086
Energy: 1.285312661029611
Energy: 1.4165629635761308
Energy: 1.3706232239809117
Energy: 1.634159362604958
Energy: 1.6363771864622
Energy: 1.342676371869517
Energy: 1.4742003546645401
Energy: 1.75139936982276
Energy: 1.457476187705491
Energy: 1.5175262456457805
Energy: 1.604914511053197
Energy: 1.5569693432050227
Energy: 1.5832311366048122
Energy: 1.5986152424488318
Energy: 1.6051636687907795
Energy: 1.59395261174565
Energy: 1.455326750084625
Energy: 1.4381759077901655
Energy: 1.3044436634143837
Energy: 1.3535557079022438
Energy: 1.4031718102046078
Energy: 1.4160000195094902
Energy: 1.3446755481435493
Energy: 1.497687016048174
Energy: 1.4956434802312135
Energy: 1.5741918390687744
Energy: 1.463096065319834
Energy: 1.4004789314263262
Energy: 1.5795540076324721
Energy: 1.4194924187168754
Energy: 1.64649154518278
Energy: 1.5163665702347298
Energy: 1.6063598130779104
Energy: 1.6422521142815136
Energy: 1.646059387825278
Energy: 1.6494032911560133
Energy: 1.5729254612300696
Energy: 1.4216521304066738
Energy: 1.4835077868140758
Energy: 1.3492710760198656
Energy: 1.4329187012208076
Energy: 1.3351727138459293
Energy: 1.357471109616886
Energy: 1.3896605878434618
Energy: 1.4110994707085096
Energy: 1.2799405076663877
Energy: 1.3041451802553474
Energy: 1.3406327368456044
Energy: 1.3764955221571407
Energy: 1.3335586246737847
Energy: 1.3421241201047385
Energy: 1.483827206313224
Energy: 1.2695340634317478
Energy: 1.4888078900077595
Energy: 1.4703693121951227
Energy: 1.3194744828354876
Energy: 1.2624269642732895
Energy: 1.4089845258708305
Energy: 1.500453356116501
Energy: 1.3706867815543045
Energy: 1.3916312360666114
Energy: 1.3597652204004465
Energy: 1.364474667003111
Energy: 1.3738716137959182
Energy: 1.441764204654256
Energy: 1.4335683012098794
Energy: 1.2992207940708989
Energy: 1.3071369882067714
Energy: 1.4041729322886294
Energy: 1.3839668628892583
Energy: 1.307568333336865
Energy: 1.3622311689295286
Energy: 1.343138823413186
Energy: 1.2932879567265856
Energy: 1.389985654225207
Energy: 1.364017342479352
Energy: 1.3858016492304297
Energy: 1.3696077206116566
Energy: 1.3840747458123075
Energy: 1.3354972866537123
Energy: 1.3699607320116467
Energy: 1.384156356068073
Energy: 1.281537076420923
Energy: 1.329303355735634
Energy: 1.3630929813873027
Energy: 1.3320448004038055
Energy: 1.408041525638835
Energy: 1.421912891695257
Energy: 1.6140778331139956
Energy: 1.4090755807855424
Energy: 1.4059596264877003
Energy: 1.570252962070992
Energy: 1.3912666799214586
Energy: 1.4586585514662107
Energy: 1.431758260479293
Energy: 1.622062975646825
Energy: 1.4655907369730756
Energy: 1.4112903278093574
Energy: 1.6048655549004465
Energy: 1.5088210676979645
Energy: 1.4098740170492874
Energy: 1.4333333001261743
Energy: 1.309181068905503
Energy: 1.4851453433306259
Energy: 1.4669201117954915
Energy: 1.3629711171005607
Energy: 1.4649461599328615
Energy: 1.3701442407260274
Energy: 1.6341899632638575
Energy: 1.6364255318812009
Energy: 1.3425552626479647
Energy: 1.4804754187189118
Energy: 1.7149261684401695
Energy: 1.5059257177462346
Energy: 1.517469897759719
Energy: 1.6332065491467571
Energy: 1.557000617332172
Energy: 1.5831564422234978
Energy: 1.5966926708568492
Energy: 1.5943220571690986
Energy: 1.5943260685338283
Energy: 1.4553996185626334
Energy: 1.4382647386555194
Energy: 1.3046565893865203
Energy: 1.353704794392555
Energy: 1.4031805370670447
Energy: 1.418496408743406
Energy: 1.3459443325864047
Energy: 1.495525358594729
Energy: 1.4953804543129317
Energy: 1.5657051413882876
Energy: 1.4633738150159714
Energy: 1.4009491641588574
Energy: 1.5937502066139158
Energy: 1.4253494385607515

minimum gb energy = 1.2618494648193577 eV
minimum distance =  2.31471498176517 Angstroms
sigma value = 21


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

Energy: 1.8784089514784321
Energy: 1.815830365346145
Energy: 1.5820595567066555
Energy: 1.5171770195033905
Energy: 1.5760027689705391
Energy: 1.6534843943592425
Energy: 1.5134558973086778
Energy: 1.4519883323862435
Energy: 1.4525376764723572
Energy: 1.449813495030593
Energy: 1.4848369014671015
Energy: 1.437370231291907
Energy: 1.4576544456503464
Energy: 1.4632081812405304
Energy: 1.4175512254734493
Energy: 1.411039315407402
Energy: 1.4132241593806396
Energy: 1.4373777967386716
Energy: 1.4596898484448113
Energy: 1.3963186418712095
Energy: 1.4015322248437818
Energy: 1.532262632699152
Energy: 1.3680190955243905
Energy: 1.3280088088590911
Energy: 1.4453989136308447
Energy: 1.4000422019520404
Energy: 1.3545353565435367
Energy: 1.4635475212998548
Energy: 1.4083729614516045
Energy: 1.314319473904088
Energy: 1.3710882380705272
Energy: 1.3774998868478066
Energy: 1.2778322996535103
Energy: 1.3218972714252157
Energy: 1.3786768402037357
Energy: 1.3197315401525875
Energy: 1.255444992307791
Energy: 1.406502141293764
Energy: 1.3844961631451518
Energy: 1.344777044369866
Energy: 1.2575984642556512
Energy: 1.3193524019564797
Energy: 1.3589859920676426
Energy: 1.331720394323787
Energy: 1.2182493516713642
Energy: 1.3491469593299181
Energy: 1.3549939377709028
Energy: 1.3247324949992625
Energy: 1.3129366167109489
Energy: 1.2904968542974473
Energy: 1.3545280896274052
Energy: 1.3546692177955697
Energy: 1.3118848707951491
Energy: 1.3024319711186452
Energy: 1.3189765458518892
Energy: 1.3024370607397957
Energy: 1.2134594640579566
Energy: 1.2355908966136577
Energy: 1.3365180772650058
Energy: 1.2681447879486178
Energy: 1.2239154954316245
Energy: 1.26849842254855
Energy: 1.3300057016642663
Energy: 1.1900780609532045
Energy: 1.164489489423123
Energy: 1.379075152562096
Energy: 1.2240565959998675
Energy: 1.0997915453986433
Energy: 1.3759194271451318
Energy: 1.3315823865804937
Energy: 1.2686466043199305
Energy: 1.3319746873820457
Energy: 1.2649153531660984
Energy: 1.2700152108005598
Energy: 1.2852092303321487
Energy: 1.2899003366720887
Energy: 1.342965512780427
Energy: 1.3268659063276385
Energy: 1.3520872776996633
Energy: 1.2752299063483612
Energy: 1.271028382360196
Energy: 1.3019029807723088
Energy: 1.2541221942808243
Energy: 1.2892127029547615
Energy: 1.3562943745995564
Energy: 1.3322678642870491
Energy: 1.1605267880804986
Energy: 1.3215236876755605
Energy: 1.396320217353763
Energy: 1.167291033299351
Energy: 1.2181613918396776
Energy: 1.2990668416809081
Energy: 1.3377289654276467
Energy: 1.1797063418973828
Energy: 1.3641569607026913
Energy: 1.3835742708880103
Energy: 1.2312401134120592
Energy: 1.2697361149586484
Energy: 1.3851117719962842
Energy: 1.3132433934790797
Energy: 1.2562928373500082
Energy: 1.2814125914994001
Energy: 1.3145058682284685
Energy: 1.265929623820635
Energy: 1.2674859468982689
Energy: 1.3063709472500455
Energy: 1.366996203025123
Energy: 1.3744446923761888
Energy: 1.3245447266974548
Energy: 1.3274914071174968
Energy: 1.4299107048995083
Energy: 1.314383261512768
Energy: 1.2356978436483352
Energy: 1.305030712981486
Energy: 1.359556643315322
Energy: 1.3418557197328183
Energy: 1.3545244803398178
Energy: 1.3729460826982287
Energy: 1.3106791612693856
Energy: 1.2978572512202595
Energy: 1.3797414991710921
Energy: 1.4197421351944954
Energy: 1.389419558584047
Energy: 1.3489393326357775
Energy: 1.3702170633489783
Energy: 1.430172918752612
Energy: 1.4066090257509076
Energy: 1.3501240955694864
Energy: 1.5452756216163936
Energy: 1.4301252361005545
Energy: 1.3609526976418984
Energy: 1.3606481941008735
Energy: 1.5026243105837989
Energy: 1.3977546699409769
Energy: 1.4198251647877604
Energy: 1.4864289196281084
Energy: 1.4237969890637763
Energy: 1.4012282130544713
Energy: 1.41182162774495
Energy: 1.4835104150717122
Energy: 1.3598599278566152
Energy: 1.4384904704743748
Energy: 1.440826079772888
Energy: 1.4183445328863755
Energy: 1.3518752361731772
Energy: 1.4340552750970366
Energy: 1.4246248759312892
Energy: 1.4429674883837598
Energy: 1.4997766934330514
Energy: 1.5207124696655392
Energy: 1.5453721204418123
Energy: 1.5358091875909718
Energy: 1.517279172636692
Energy: 1.5271754436587917
Energy: 1.5251533560997619
Energy: 1.3813386765047124
Energy: 1.5207040071082034
Energy: 1.441261287089941
Energy: 1.4370875708105426
Energy: 1.4074798511919508
Energy: 1.4869007730729116
Energy: 1.4412443830428063
Energy: 1.4372390525488863
Energy: 1.4408284295550715
Energy: 1.4946191017270867
Energy: 1.4715613818240065
Energy: 1.445874872531657
Energy: 1.4240911716708065
Energy: 1.4571042384727448
Energy: 1.5044691649718984
Energy: 1.515003463858081
Energy: 1.4973006823152128
Energy: 1.5299425779088032
Energy: 1.4527398927998834
Energy: 1.4703163562462296

minimum gb energy = 1.0997915453986433 eV
minimum distance =  2.28513369833793 Angstroms
sigma value = 113


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

Energy: 1.9301593564753692
Energy: 1.4649741835329864
Energy: 1.5895148415632834
Energy: 1.3660964878918087
Energy: 1.3700645137650376
Energy: 1.4367032386434382
Energy: 1.3846382632337193
Energy: 1.2289668779931948
Energy: 1.2745255239979039
Energy: 1.3737710242293737
Energy: 1.3148532125906396
Energy: 1.330505670910091
Energy: 1.373590515817486
Energy: 1.275532461172298
Energy: 1.2891892178513895
Energy: 1.212514418230893
Energy: 1.2382875180039998
Energy: 1.321839993288199
Energy: 1.3187951722855469
Energy: 1.2111480923711082
Energy: 1.2981019715082982
Energy: 1.342034275211794
Energy: 1.2781201720555495
Energy: 1.2311220875240436
Energy: 1.3710685772626596
Energy: 1.2114035293665502
Energy: 1.234176960156381
Energy: 1.357962386338466
Energy: 1.2049446530708887
Energy: 1.1786654750236247
Energy: 1.2757386044474872
Energy: 1.2991800195926373
Energy: 1.3058148930427425
Energy: 1.188592090080639
Energy: 1.2806963820644666
Energy: 1.1234079111052198
Energy: 1.1480156017882681
Energy: 1.2102252689797766
Energy: 1.2296468980594413
Energy: 1.218602922107287
Energy: 1.2118388481898754
Energy: 1.1878157240430363
Energy: 1.1738951299007956
Energy: 1.298299957569352
Energy: 1.1550350138336227
Energy: 1.267165537764337
Energy: 1.252066685334887
Energy: 1.1842535425068297
Energy: 1.2135283754534398
Energy: 1.1369187339243176
Energy: 1.315410160085958
Energy: 1.240423855686057
Energy: 1.248979561878465
Energy: 1.1945954016770668
Energy: 1.2281811467119281
Energy: 1.1940809279062514
Energy: 1.1233344768005964
Energy: 1.157251312651946
Energy: 1.2490873093881099
Energy: 1.1547576992779245
Energy: 1.145667571470025
Energy: 1.163960494458257
Energy: 1.1873859699993257
Energy: 1.052517587531839
Energy: 1.1118716160416773
Energy: 1.1981585812868203
Energy: 1.1492498890794471
Energy: 1.1048621569030082
Energy: 1.2234328831992927
Energy: 1.123561640446831
Energy: 1.080521526359964
Energy: 1.1758024639549631
Energy: 1.2501724251032325
Energy: 1.1263320864765631
Energy: 1.1381760938671899
Energy: 1.2193384786729873
Energy: 1.1618468091239678
Energy: 1.1186698450380381
Energy: 1.1836324639284335
Energy: 1.1465669592928605
Energy: 1.1324398657518362
Energy: 1.1515628706720042
Energy: 1.1413063695902326
Energy: 1.17506220892408
Energy: 1.1329451771572818
Energy: 1.1041938892639744
Energy: 1.0594121819965827
Energy: 1.1230577806472113
Energy: 1.1915043044243174
Energy: 1.0753027366012802
Energy: 1.0536436095214854
Energy: 1.2122182935041625
Energy: 1.0898502528435847
Energy: 1.2243018159936043
Energy: 1.1448992324620024
Energy: 1.1911804140404805
Energy: 1.0952675050338472
Energy: 1.0719071469553405
Energy: 1.1848890161244012
Energy: 1.1190616519046468
Energy: 1.0992179149202805
Energy: 1.1248055257099503
Energy: 1.1346173708540601
Energy: 1.129974524975365
Energy: 1.0778456792589317
Energy: 1.0599058691724488
Energy: 1.0933003719689396
Energy: 1.0924661975385008
Energy: 1.1127163618724873
Energy: 1.1063299001913214
Energy: 1.1119592556193925
Energy: 1.0989076749975102
Energy: 1.0910666202538677
Energy: 1.1100430185946748
Energy: 1.1047198679378751
Energy: 1.116497866596765
Energy: 1.1178955735859593
Energy: 1.106482302944222
Energy: 1.1191808568181318
Energy: 1.0722901656900417
Energy: 1.102977404110063
Energy: 1.149640879996329
Energy: 1.1205067818771262
Energy: 1.1040041069752355
Energy: 1.1129441389976806
Energy: 1.1351016278812935
Energy: 1.0185227805314645
Energy: 1.0990152091617578
Energy: 1.1137003481629577
Energy: 1.0964624237871015
Energy: 1.099000035605951
Energy: 1.0862675724323745
Energy: 1.1930094677642744
Energy: 1.0151103007950002
Energy: 1.0462582963724796
Energy: 1.1349560530248686
Energy: 1.1052555610752832
Energy: 1.0392997956784513
Energy: 1.129358052452083
Energy: 1.1232777221718728
Energy: 1.083257667194984
Energy: 1.0946246238874895
Energy: 1.1123268364419574
Energy: 1.129750794143754
Energy: 1.0939785052543227
Energy: 1.0945701990586614
Energy: 1.1302432957607929
Energy: 1.121032662430667
Energy: 1.093872906792302
Energy: 1.0952105699935601
Energy: 1.1349509988375928
Energy: 1.1210370891285641
Energy: 1.1011272747387564
Energy: 1.0675818842816
Energy: 1.1456014910551264
Energy: 1.1409774266269967
Energy: 1.0524486470954124
Energy: 1.0769386635358908
Energy: 1.1240319591557189
Energy: 1.037789242860874
Energy: 1.0736808779455655
Energy: 1.1869220272749712
Energy: 1.0820347159503227
Energy: 1.075515859477597
Energy: 1.13604894851445
Energy: 1.1108254348145765
Energy: 1.136822560052256
Energy: 1.0688964543496682
Energy: 1.1754502974814232
Energy: 1.126272342739369
Energy: 1.103675404564783
Energy: 1.101205276849891
Energy: 1.1182855031391399
Energy: 1.1086682577727562
Energy: 1.0617788063288105
Energy: 1.0766318082359019
Energy: 1.1217919012454138
Energy: 1.109584070053892
Energy: 1.0961197925980328
Energy: 1.1134675243583398
Energy: 1.1127016857340533
Energy: 1.0694767715961568
Energy: 1.1100222287138681
Energy: 1.1386562864634966
Energy: 1.1023749906015268
Energy: 1.096046365812762
Energy: 1.1198116000364464
Energy: 1.0867432977722133
Energy: 1.1252617541193488
Energy: 1.0713826451251172
Energy: 1.1049481542135722
Energy: 1.1645875179952547
Energy: 1.115668988472089
Energy: 1.1003693341862246
Energy: 1.1276751006067962
Energy: 1.1666264055516242
Energy: 1.0400442530608713
Energy: 1.1065598808045596
Energy: 1.2306668146058661
Energy: 1.1454746663850615
Energy: 1.0916285237981194
Energy: 1.1807782280265224
Energy: 1.195773038547942
Energy: 1.0395377401726924
Energy: 1.082946390978635
Energy: 1.2079143535795207
Energy: 1.0970334991897623
Energy: 1.0762200278105956
Energy: 1.1748461464814153
Energy: 1.1446691965988594
Energy: 1.142168538911345
Energy: 1.1448345799277015
Energy: 1.133216470290809
Energy: 1.132964183264336
Energy: 1.1530881640703246
Energy: 1.1847019801969447
Energy: 1.1077731886099145
Energy: 1.1492219613650974
Energy: 1.176425935788994
Energy: 1.1375651368844086
Energy: 1.1616611707954114
Energy: 1.1680568587925233
Energy: 1.1553917520063701
Energy: 1.1173760535095167
Energy: 1.163659088153336
Energy: 1.203755927258094
Energy: 1.0884755543609423
Energy: 1.1625786675612182
Energy: 1.21562768408375
Energy: 1.1029136908976669
Energy: 1.1386237957450425
Energy: 1.2127001013714147
Energy: 1.1511641619374247
Energy: 1.100748134177254
Energy: 1.1802397048515243
Energy: 1.2459681671791558
Energy: 1.149421619470168
Energy: 1.119712438351563
Energy: 1.1689917655891413
Energy: 1.1955557516534911
Energy: 1.1843954332904545
Energy: 1.1821030055965642
Energy: 1.1795323029178404
Energy: 1.209127759851968
Energy: 1.1735941814508306
Energy: 1.1344002980089694
Energy: 1.1689471910935658
Energy: 1.2057754797596625
Energy: 1.165072133771062
Energy: 1.2002856265270287
Energy: 1.2251912842795938
Energy: 1.2273859082799907
Energy: 1.1950843317711124
Energy: 1.148327485680953
Energy: 1.140378950288666
Energy: 1.2232262040353095
Energy: 1.225016741408168
Energy: 1.1897417670276027
Energy: 1.1932279442166365
Energy: 1.2377222865717465
Energy: 1.1729369311242288
Energy: 1.2564156108992584
Energy: 1.3119785897718006
Energy: 1.2201124124003826
Energy: 1.2194750153200078
Energy: 1.2824778785321527
Energy: 1.2607980654664197
Energy: 1.3076042922129811
Energy: 1.3487767268377564
Energy: 1.3026255325935034
Energy: 1.2181972296054038
Energy: 1.2315342765573412
Energy: 1.3954306557144072
Energy: 1.225142968968817
Energy: 1.2502558516254778
Energy: 1.3094696543047852
Energy: 1.2883393575334827
Energy: 1.2877602619159936
Energy: 1.2158004187415536
Energy: 1.2615424438640774
Energy: 1.2766189963874717
Energy: 1.1888445537781451
Energy: 1.3531365137223275
Energy: 1.3175219353597922
Energy: 1.2870703535023473
Energy: 1.2561716806445797
Energy: 1.3103000401157152
Energy: 1.3562274219587338
Energy: 1.320642944807535
Energy: 1.321780319394344
Energy: 1.3966838543605649
Energy: 1.327776801361957
Energy: 1.3372822567435978
Energy: 1.4153605041468937
Energy: 1.276996721297895
Energy: 1.2531797460647898
Energy: 1.2944599305196294
Energy: 1.3207037253933906
Energy: 1.3399631337567535
Energy: 1.2709790407090802
Energy: 1.3082693006126604
Energy: 1.290036847347258
Energy: 1.269578948161694
Energy: 1.3277184142883283
Energy: 1.3225850163190722
Energy: 1.3567487602803068
Energy: 1.3856203428133522
Energy: 1.2778433294315885
Energy: 1.3233674669947433
Energy: 1.3184498133333287
Energy: 1.2092319477052043
Energy: 1.3084740851010332
Energy: 1.3092866695480319
Energy: 1.2329904653436687
Energy: 1.4099639298798192

minimum gb energy = 1.0151103007950002 eV
minimum distance =  2.27711907611312 Angstroms
sigma value = 365


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

Energy: 1.4194428637426673
Energy: 1.1565079259550033
Energy: 1.1868761445663758
Energy: 1.188378030215137
Energy: 1.188157611925254
Energy: 1.1876993936715665
Energy: 1.1871401565285264
Energy: 0.611723008765311
Energy: 0.41524137222438334
Energy: 0.4639989391952504
Energy: 0.48629067184420277
Energy: 0.4861363919523451
Energy: 0.4631547085109487
Energy: 0.4630656302974493
Energy: 0.3896903317364051
Energy: 0.4155710184003541
Energy: 0.46350396814121037
Energy: 0.46483521630241903
Energy: 0.4860911054447728
Energy: 0.4640884744215177
Energy: 0.41572314445588887
Energy: 1.159531088177766
Energy: 1.2181807832893035
Energy: 1.2430172268824404
Energy: 1.2586350025947466
Energy: 1.3026003248228366
Energy: 1.1529946332053327
Energy: 1.1521956234941058
Energy: 1.2169348412615206
Energy: 1.2175273500758108
Energy: 1.273167335906753
Energy: 1.2730100061687488
Energy: 1.3024098480617845
Energy: 1.2705009440735013
Energy: 1.217103481128844
Energy: 0.3902968255260056
Energy: 0.4157306861132885
Energy: 0.4631305234843287
Energy: 0.46299587181298774
Energy: 0.48625117518309074
Energy: 0.463758466681111
Energy: 0.41561720678983977
Energy: 1.2172016939017793
Energy: 1.2166592074087619
Energy: 1.2575358667074399
Energy: 1.3050043324190381
Energy: 1.3045472198998125
Energy: 1.3023773695762446
Energy: 1.226673934703368
Energy: 1.2169375172253685
Energy: 1.2167650780830057
Energy: 1.258020613110693
Energy: 1.3039589257141828
Energy: 1.3032524367650284
Energy: 1.3049429638770549
Energy: 1.2166757198741462
Energy: 0.3898081352569978
Energy: 0.41554557363959904
Energy: 0.4638043769929823
Energy: 0.46397893237210963
Energy: 0.48607728546994694
Energy: 0.4632842792879278
Energy: 0.41598446027520747
Energy: 1.2271004225495021
Energy: 1.2271308288775662
Energy: 1.314011180267542
Energy: 1.3147921471159016
Energy: 1.272989282484847
Energy: 1.273342469069374
Energy: 1.2256548107121454
Energy: 1.1584782814283
Energy: 1.1500446514451785
Energy: 1.152243812826805
Energy: 1.258495814444543
Energy: 1.3021481267153043
Energy: 1.258604146050431
Energy: 1.1549566638237678
Energy: 0.3897732242737282
Energy: 0.415481119139755
Energy: 0.4640038948644093
Energy: 0.48604999969655055
Energy: 0.48607526952174773
Energy: 0.4632950341355338
Energy: 0.41556118821589977
Energy: 0.3896880274972176
Energy: 0.4153312216218942
Energy: 0.46309349022246676
Energy: 0.48600846280907567
Energy: 0.48625102624769556
Energy: 0.4639025345194762
Energy: 0.4156029723054517
Energy: 1.154857191420886
Energy: 1.1560814543165554
Energy: 1.1551146073303067
Energy: 1.2590502864710849
Energy: 1.2563308209600088
Energy: 1.1535985487558558
Energy: 1.1540586942210833
Energy: 1.2271444191444134
Energy: 1.2220380506155726
Energy: 1.272838437942285
Energy: 0.48599959374578056
Energy: 0.4862434807038674
Energy: 0.4633204765372706
Energy: 1.2887158554598914
Energy: 0.38982423904873953
Energy: 0.4155296255831129
Energy: 0.46349344637995504
Energy: 0.4863217258508105
Energy: 0.4859551368694493
Energy: 0.4641740684442769
Energy: 0.4157443857710089
Energy: 1.2182104222202517
Energy: 1.2170286012030977
Energy: 1.258762722589221
Energy: 1.3030878412918394
Energy: 1.3027759091182123
Energy: 1.258804240343126
Energy: 1.1529829225056218
Energy: 1.2165725401777654
Energy: 1.226790215614101
Energy: 1.2734463668496425
Energy: 1.3020781206293743
Energy: 1.3025084191621465
Energy: 1.269309352301226
Energy: 1.216714756941717
Energy: 0.3903345165666437
Energy: 0.41577848160756714
Energy: 0.5411951988711432
Energy: 0.5453627799010573
Energy: 0.46397878608993137
Energy: 0.5460739598933232
Energy: 0.5050426654617983
Energy: 1.2176722427459075
Energy: 1.2166005084561657
Energy: 1.2257807091296193
Energy: 1.3026772087093146
Energy: 1.3047205079687492
Energy: 1.3021620907761848
Energy: 1.216641357892028

minimum gb energy = 0.3896880274972176 eV
minimum distance =  2.35902828742001 Angstroms
sigma value = 23