Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ag__MO_303974873468_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.063553899526596
cohesive_energy=2.9605994760773475
mass=107.8682
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=[1.067777026435836e-19, 1.60671079387422e-19, 2.03966698568004e-19, 2.40794330677128e-19, 2.72206605763332e-19, 2.99573384848686e-19, 3.23638077891366e-19, 3.4490376835444795e-19, 3.63746967746922e-19, 3.80454465686274e-19, 3.9526178213770194e-19, 4.0836278047391995e-19, 4.1995292624427596e-19, 4.3027895465040597e-19, 4.395219116519519e-19, 4.4756003182473e-19, 4.54324421573478e-19, 4.599384484990139e-19, 4.6452067367225395e-19, 4.68157614631434e-19, 4.70906949735378e-19, 4.7281834645974e-19, 4.739382679269059e-19, 4.74303564199458e-19, 4.739094287474939e-19, 4.72635698323464e-19, 4.70322155263968e-19, 4.66781344902828e-19, 4.61788962511284e-19, 4.55083853297994e-19, 4.463744211155699e-19, 4.353113914578e-19, 4.2137405691863396e-19, 4.03871879368818e-19, 3.8207106190998e-19, 3.55101622629858e-19, 3.2185325312108994e-19, 2.80916037945756e-19, 2.30492334920508e-19, 1.6835031199418399e-19, 9.181721810594519e-20, -3.3181078090139995e-21, -1.227616576150212e-19, -2.7341144259209996e-19, -4.649228200073879e-19, -7.108008571441979e-19, -1.0311064076368439e-18, -1.4538471212242799e-18, -2.0212259326227e-18, -2.8034886741732e-18, -3.90734030970018e-18, -5.51047824968058e-18, -7.91720390221002e-18, -1.1602658769867538e-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: -1.75621268201409e-24 eV

========================================
theta = 0.0
========================================

Energy: 0.01106702533524918
Energy: 0.011754243917263372
Energy: 0.236856722918271
Energy: 0.49677793081641747
Energy: 0.49633571922538494
Energy: 0.19069017193538443
Energy: 0.011443993299713082
Energy: 0.01144743858694136
Energy: 0.5448834700968895
Energy: 0.1475076445350898
Energy: 0.34086169846521097
Energy: 0.33929236731298057
Energy: 0.011683374444581698
Energy: 0.06828421719694788
Energy: 0.011483546463343795
Energy: 0.5447074372941388
Energy: 0.23546527975293033
Energy: 0.4561928058419788
Energy: 0.4018080795298601
Energy: 0.06732073940584996
Energy: 0.06813492697196645
Energy: 0.012827792705356413
Energy: 0.33885302320915783
Energy: 0.23563741411321357
Energy: 0.4960915247940298
Energy: 0.4965643599321514
Energy: 0.06757597238772327
Energy: 0.011552341867283718
Energy: 0.06850029075382508
Energy: 0.5450879558939745
Energy: 0.14750890553598164
Energy: 0.34168400119141723
Energy: 0.33921646610076395
Energy: 0.0115525568630353
Energy: 0.06805885045376357
Energy: 0.011322267498692777
Energy: 0.33935819056864036
Energy: 0.3347513332035112
Energy: 0.45675485660018617
Energy: 0.40483701753664714
Energy: 0.06721395586815289
Energy: 0.06795189804599247

minimum gb energy = 0.01106702533524918 eV
minimum distance =  2.84776489785722 Angstroms
sigma value = 5


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

Energy: 0.7228969462059622
Energy: 0.7281678637206633
Energy: 0.7357938064026728
Energy: 0.7951558865087627
Energy: 0.758420686452473
Energy: 0.6554052854281004
Energy: 0.8219134007193561
Energy: 0.6615207903019911
Energy: 0.7208055774545464
Energy: 0.6470759997692238
Energy: 0.7126671273042083
Energy: 0.699518526509971
Energy: 0.6842590152383452
Energy: 0.7120808653302142
Energy: 0.7085338513239721
Energy: 0.678213382225899
Energy: 0.7364505587566633
Energy: 0.6956896806984989
Energy: 0.7105620921168467
Energy: 0.7356512831754353
Energy: 0.7059511864202864
Energy: 0.6480328205479807
Energy: 0.7576368105043837
Energy: 0.665629766399285
Energy: 0.7436280657967906
Energy: 0.7572499552890267
Energy: 0.6590023291591548
Energy: 0.7176305809405622
Energy: 0.7359641369081498
Energy: 0.6663545864575163
Energy: 0.691317215873903
Energy: 0.7189453210769519
Energy: 0.7165172716898356
Energy: 0.6894826890437711
Energy: 0.714838981909284
Energy: 0.6934948986409681
Energy: 0.7228869113925032
Energy: 0.6983141682985353
Energy: 0.6897918890290913
Energy: 0.697617857415045
Energy: 0.693663330603371
Energy: 0.71202638664939
Energy: 0.7051724125025479
Energy: 0.7869625615040183
Energy: 0.7163401488656254
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Energy: 0.717876244590694
Energy: 0.703120779598595
Energy: 0.6839892440414935
Energy: 0.7219124511783377
Energy: 0.6765710591370008
Energy: 0.7381869943306762
Energy: 0.7257070562139675
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Energy: 0.686663540494022
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Energy: 0.7096456816443589
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Energy: 0.6854693031849657
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Energy: 0.6575036366482312
Energy: 0.6891456360731077
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Energy: 0.7182166237579725
Energy: 0.6986704368234689
Energy: 0.6626775488655566
Energy: 0.7163423161789421
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Energy: 0.7249428305604722
Energy: 0.7269899414319668
Energy: 0.698434887432003
Energy: 0.741400357863661
Energy: 0.6473687067145127
Energy: 0.7029182908620785
Energy: 0.7046709831313669
Energy: 0.7585150715236292
Energy: 0.7531787712394965
Energy: 0.6595059132698173
Energy: 0.7285634158784319
Energy: 0.667068601999744
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Energy: 0.6888829474923034
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Energy: 0.7210284806141936
Energy: 0.6854985991441748
Energy: 0.7116577081618664
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Energy: 0.6657194617990838
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Energy: 0.681032171335379
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Energy: 0.7530363086985385
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Energy: 0.7340834504983268
Energy: 0.7704265698979063
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Energy: 0.7205294478405633
Energy: 0.7293218160067015
Energy: 0.7144380136406885
Energy: 0.6970889524050425
Energy: 0.7379596948617817
Energy: 0.6837271584064988
Energy: 0.7678269715446564
Energy: 0.6818198693351146
Energy: 0.7062630753310363
Energy: 0.7205500995813692
Energy: 0.719416557874318
Energy: 0.7418191932853689
Energy: 0.7731274970846747
Energy: 0.6963049993004072
Energy: 0.6806609948501705
Energy: 0.7092142508574688
Energy: 0.7310069598474028
Energy: 0.7570871419931797
Energy: 0.6972476405202626
Energy: 0.6722742191611789
Energy: 0.7055913413581573
Energy: 0.6620749160688866
Energy: 0.6936920127749567
Energy: 0.7019424246038809
Energy: 0.66187180353162
Energy: 0.6780005041031129
Energy: 0.7323416422875633
Energy: 0.6933280752431153
Energy: 0.7408328449506529
Energy: 0.7225471216859864
Energy: 0.7115270919826784
Energy: 0.7201321473677393
Energy: 0.747174897682179
Energy: 0.6448233776864846
Energy: 0.7399346986717948
Energy: 0.6657409780164167
Energy: 0.697840465596713
Energy: 0.7215984998028669
Energy: 0.6783189202761729
Energy: 0.7019044445552735
Energy: 0.759179200655547
Energy: 0.6995144276872988
Energy: 0.680009759854414
Energy: 0.7094039006246282
Energy: 0.7340774524644109
Energy: 0.6870083564341859
Energy: 0.7016143437028365
Energy: 0.6745202979545135
Energy: 0.7156034163699291
Energy: 0.701408584725188
Energy: 0.7314219898109249
Energy: 0.7153644026083045
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Energy: 0.7292235445752601
Energy: 0.6659921762933231
Energy: 0.647650137138125
Energy: 0.7166019738050154
Energy: 0.7491049524105344
Energy: 0.7178178234671224
Energy: 0.7046269283575203
Energy: 0.6644324326477801

minimum gb energy = 0.6444767131743833 eV
minimum distance =  2.59843410525922 Angstroms
sigma value = 401


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

Energy: 0.7197325813794506
Energy: 0.6748039050018685
Energy: 0.6826204995605668
Energy: 0.774873219629364
Energy: 0.6818051189800233
Energy: 0.6648777066991173
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Energy: 0.7275631348989529
Energy: 0.7343984918326875
Energy: 0.7219205791663995
Energy: 0.6926802859891872
Energy: 0.6552761724546874
Energy: 0.658261914871235
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Energy: 0.6682367904812564
Energy: 0.7313224779154076
Energy: 0.6809523921008288
Energy: 0.6802248557070318
Energy: 0.7418177842709398
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Energy: 0.7707638138261408
Energy: 0.6583321112946274
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Energy: 0.6810046587459524
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Energy: 0.7071117033071802
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Energy: 0.6772473846295891
Energy: 0.7141970138357013
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Energy: 0.7216421175877861
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Energy: 0.6702080107190425
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Energy: 0.7280603467228108
Energy: 0.6594681865594959
Energy: 0.6865586528960755
Energy: 0.6689496823327974
Energy: 0.6723780278241377
Energy: 0.7646877831893502
Energy: 0.696148010890648
Energy: 0.7215132679222265
Energy: 0.6569536075369552
Energy: 0.6685508033728352
Energy: 0.6572224388879482
Energy: 0.6684928517251638
Energy: 0.7284950751061303
Energy: 0.7409665278561526
Energy: 0.7244117153476194
Energy: 0.7075780433272961
Energy: 0.6665718448761995
Energy: 0.6770508254632069
Energy: 0.7198302302531692
Energy: 0.7335668027884026
Energy: 0.7094823503143806
Energy: 0.6995037008205366
Energy: 0.6809111787851104
Energy: 0.6676350244076215
Energy: 0.6799669369778465
Energy: 0.7065840018887568
Energy: 0.6879467804924877
Energy: 0.6816289252028722
Energy: 0.6848091855578112
Energy: 0.6722522252096788
Energy: 0.79974184334184
Energy: 0.7023532255690796
Energy: 0.6718966887721515
Energy: 0.666313702924113
Energy: 0.6769267813714023
Energy: 0.6789417986442111
Energy: 0.6810870009112492
Energy: 0.6561812952033549
Energy: 0.6772247628502319
Energy: 0.6780070199405381
Energy: 0.6733172529101692
Energy: 0.6768963084521495
Energy: 0.6782665334505128
Energy: 0.7120471880550943
Energy: 0.6710314704463493
Energy: 0.7525085937061716
Energy: 0.6760895417280187
Energy: 0.6997461255776589
Energy: 0.6805351334163505
Energy: 0.6823735267124624
Energy: 0.6703241808691982
Energy: 0.6991791225612374
Energy: 0.6816957313687584
Energy: 0.7126962350724635
Energy: 0.7205128937851786
Energy: 0.6772901608252598
Energy: 0.7086991659734522
Energy: 0.7022462726579318
Energy: 0.6721254582951116
Energy: 0.6855479059102373
Energy: 0.6927925883738251
Energy: 0.732367989492505
Energy: 0.6502211882756243
Energy: 0.7154908763245779
Energy: 0.6790978195701709
Energy: 0.6750086607861815
Energy: 0.6702739321088456
Energy: 0.6688212326609383
Energy: 0.7714739862736044
Energy: 0.7433555726375554
Energy: 0.7079609504000848
Energy: 0.6608529527971694
Energy: 0.6707043033433768
Energy: 0.6578747527878371
Energy: 0.7523859530255802
Energy: 0.7375034674044076
Energy: 0.6966812513060417
Energy: 0.7513856984659621
Energy: 0.6573623224415169
Energy: 0.6737368783232066
Energy: 0.6584404222236383
Energy: 0.6659491542485304
Energy: 0.744514438864136
Energy: 0.6912764670398279
Energy: 0.6857204466337418
Energy: 0.7029433177990422
Energy: 0.6768767542657825
Energy: 0.6828657615205962
Energy: 0.7204136363039005
Energy: 0.7300326039400405
Energy: 0.7078908259929091
Energy: 0.6768986462793433
Energy: 0.7128844327365156
Energy: 0.6972183896909253
Energy: 0.6867632228071331
Energy: 0.7153701068892883
Energy: 0.7006778721507999
Energy: 0.6656176980667736
Energy: 0.6737559363020716
Energy: 0.6746901080261068
Energy: 0.6984189411039782
Energy: 0.7230645797209703
Energy: 0.7028050193882361
Energy: 0.7055475149245481
Energy: 0.6736806775309334
Energy: 0.6692400540077182
Energy: 0.6892418649571912
Energy: 0.6812163301845376
Energy: 0.6612747154108175
Energy: 0.7106690272767096
Energy: 0.661203643088029

minimum gb energy = 0.6502211882756243 eV
minimum distance =  2.61310264425316 Angstroms
sigma value = 311


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

Energy: 0.7202585312065777
Energy: 0.6625590816656006
Energy: 0.72883185653715
Energy: 0.6739876612055786
Energy: 0.6671303034793684
Energy: 0.7052172813406469
Energy: 0.6702279340060359
Energy: 0.6859034039664925
Energy: 0.6824951529253311
Energy: 0.6749201290076347
Energy: 0.7115654353891988
Energy: 0.6824524968355864
Energy: 0.6865988232719975
Energy: 0.7279430838360004
Energy: 0.6707796932561142
Energy: 0.6977857012052164
Energy: 0.7380264502917075
Energy: 0.7152285798510465
Energy: 0.6626498645569193
Energy: 0.6887149802019019
Energy: 0.6900303270648993
Energy: 0.660307623764821
Energy: 0.7015926382665315
Energy: 0.67513512544153
Energy: 0.735423211065518
Energy: 0.7094883835033317
Energy: 0.7129502607973455
Energy: 0.6931794196650563
Energy: 0.6966007586136034
Energy: 0.6738018272099376
Energy: 0.7138529512401379
Energy: 0.6990765647627337
Energy: 0.6933852109770899
Energy: 0.7230120568914112
Energy: 0.7041515507493609
Energy: 0.6721043967117138
Energy: 0.6870394065864774
Energy: 0.6822109127531709
Energy: 0.6832501844204308
Energy: 0.6691761165106127
Energy: 0.6690311816221922
Energy: 0.6752473801599725
Energy: 0.6794236693198987
Energy: 0.6985529602890677
Energy: 0.6712213589705692
Energy: 0.6863206313879034
Energy: 0.6892996707823482
Energy: 0.6635348115015433
Energy: 0.6907014978683905
Energy: 0.6665059883713986
Energy: 0.7097791371272415
Energy: 0.7084654924425965
Energy: 0.6983346773317635
Energy: 0.7526462445748845
Energy: 0.7102259001194031
Energy: 0.6839014555395055
Energy: 0.6952239447172553
Energy: 0.7072724705579174
Energy: 0.7143062058119177
Energy: 0.6941325155850873
Energy: 0.676342721182832
Energy: 0.6640515820760238
Energy: 0.6738439542172417
Energy: 0.701444127295926
Energy: 0.7650744253067825
Energy: 0.6731338310408135
Energy: 0.6983468649397684
Energy: 0.68154993198669
Energy: 0.667009030877942
Energy: 0.6842224471616858
Energy: 0.6862978781383977
Energy: 0.7007519400009864
Energy: 0.6822776059361606
Energy: 0.7402265595226448
Energy: 0.7146769793451271
Energy: 0.6997523248078937
Energy: 0.6889340310631237
Energy: 0.6648052817324375
Energy: 0.6795243749840959
Energy: 0.6724955791088852
Energy: 0.6784241087877803
Energy: 0.6634968237403116
Energy: 0.6683999182618898
Energy: 0.6746892309516922
Energy: 0.7270661936027244
Energy: 0.6657780560887723
Energy: 0.6751514361709676
Energy: 0.6626126123325544
Energy: 0.6730985794697267
Energy: 0.6800320749052106
Energy: 0.6941971969783219
Energy: 0.7056323833251945
Energy: 0.6911640201309724
Energy: 0.6868592144162694
Energy: 0.6943400872304416
Energy: 0.7568404003444832
Energy: 0.740241206732956
Energy: 0.7507915054368677
Energy: 0.694300507085421
Energy: 0.6687183406432918
Energy: 0.6835721554244087
Energy: 0.6672398230460641
Energy: 0.6796923249279714
Energy: 0.6643213825504554
Energy: 0.7095665387170127
Energy: 0.6622413285971648
Energy: 0.7227457252678585
Energy: 0.6567570938252035
Energy: 0.7162746677344471
Energy: 0.6959722853990304
Energy: 0.6765367834033379
Energy: 0.6670428972760957
Energy: 0.7644208276660058
Energy: 0.7025333559386219
Energy: 0.6972371750772657
Energy: 0.7646206110586627
Energy: 0.6825443399732994
Energy: 0.7397702633572392
Energy: 0.7059194655517542
Energy: 0.6586023309589755
Energy: 0.7030133587787746
Energy: 0.6722542065915897
Energy: 0.6837971709534933
Energy: 0.6785145641875718
Energy: 0.6562368018118452
Energy: 0.6988829002224336
Energy: 0.6945355295844033
Energy: 0.6901743697025362
Energy: 0.7258558251365279
Energy: 0.6751919922506635
Energy: 0.6947165875211451
Energy: 0.6622431859308414
Energy: 0.6903717837685605
Energy: 0.7284445843639832
Energy: 0.7321094638497195
Energy: 0.7299231511729873
Energy: 0.7118210384021372
Energy: 0.7170266295898623
Energy: 0.7137685948959258
Energy: 0.776126260156232
Energy: 0.6966853909182886
Energy: 0.6857632058742916
Energy: 0.6796564311773986
Energy: 0.6717494633438371
Energy: 0.6874479034072227
Energy: 0.6835372539226875
Energy: 0.6973089560394723
Energy: 0.6707030940272288
Energy: 0.6945427811038128
Energy: 0.6733513875978588
Energy: 0.6993483722511245
Energy: 0.6874527639122561
Energy: 0.6825305880917002
Energy: 0.6911794734405515
Energy: 0.7402473698405975
Energy: 0.7245799006179501
Energy: 0.6874673820851264
Energy: 0.7010103574260729
Energy: 0.6951434145156655
Energy: 0.7387478329650042
Energy: 0.6897125081758219
Energy: 0.6963239360973121
Energy: 0.6970099051771683
Energy: 0.6675588800960869
Energy: 0.6850672326411357
Energy: 0.6780806398219071
Energy: 0.6684321487035726
Energy: 0.679653071367509
Energy: 0.6988659796051758
Energy: 0.6949113204394654
Energy: 0.6968951553032595
Energy: 0.6737023809101031
Energy: 0.6702496317663529
Energy: 0.6671816946484918
Energy: 0.7023325737139993
Energy: 0.7087550446815363
Energy: 0.7405155639439128
Energy: 0.7157167841021947
Energy: 0.6855634255179262
Energy: 0.7481629272603949
Energy: 0.7154782139273819
Energy: 0.7368695911772033
Energy: 0.6921895177333426
Energy: 0.6792646495147323
Energy: 0.6925080719363483
Energy: 0.6728164280061776
Energy: 0.6877331441609202
Energy: 0.6733213762627037
Energy: 0.6706350966465789
Energy: 0.6666039208555367
Energy: 0.7239182381594531
Energy: 0.689297843980238
Energy: 0.6815722334172004
Energy: 0.6824886198181711
Energy: 0.659463670558033
Energy: 0.6768690283882499
Energy: 0.6945889341423289
Energy: 0.69171753647066
Energy: 0.6798560222455348
Energy: 0.7592560414696425
Energy: 0.6881175991434447
Energy: 0.6997157745785841
Energy: 0.7068175282036502
Energy: 0.6834698588265462
Energy: 0.698846928636719
Energy: 0.6680083013228123
Energy: 0.699877170334788
Energy: 0.6884218528682797
Energy: 0.6929028157217183
Energy: 0.6942130431423522
Energy: 0.7116456822090693
Energy: 0.6726637240244906
Energy: 0.7111777286707074
Energy: 0.6646958436196584
Energy: 0.6679869626200207
Energy: 0.657324994107621
Energy: 0.6766838053754348
Energy: 0.6925844994450754
Energy: 0.7052548701052865
Energy: 0.6738802526309465
Energy: 0.7140550227638988
Energy: 0.7559928276702881
Energy: 0.7026915506607662
Energy: 0.6955481737438892
Energy: 0.6898795318020191
Energy: 0.6779141308928717
Energy: 0.6663862684137499
Energy: 0.6684676348207902
Energy: 0.7076374121421883
Energy: 0.6690793958662273
Energy: 0.6862754618868264
Energy: 0.6693725919901806
Energy: 0.6666184433299575
Energy: 0.6862458852082629
Energy: 0.7023759644184553
Energy: 0.6753911405848099
Energy: 0.6710614139486286
Energy: 0.6736518739280661
Energy: 0.6891556839331264
Energy: 0.6862309020481363
Energy: 0.6966973546740363
Energy: 0.7527014243198139
Energy: 0.6802566555731101
Energy: 0.7294956355106056
Energy: 0.7144985682201341
Energy: 0.6928308500245438
Energy: 0.7083004801921939
Energy: 0.6831101933793022
Energy: 0.7162720418096785
Energy: 0.697809690873956
Energy: 0.6564735319204936
Energy: 0.6883053937523134

minimum gb energy = 0.6562368018118452 eV
minimum distance =  2.63322566171277 Angstroms
sigma value = 39


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

Energy: 0.6393681601372874
Energy: 0.6410467586604636
Energy: 0.7602657658118728
Energy: 0.7547498465339504
Energy: 0.6939905118245251
Energy: 0.7139725679205075
Energy: 0.626691106231664
Energy: 0.6249871037891287
Energy: 0.6534909447227419
Energy: 0.6977187491912293
Energy: 0.6725618006140354
Energy: 0.6534717220921126
Energy: 0.6638653785545632
Energy: 0.7165471280312234
Energy: 0.6631903843354745
Energy: 0.6462737877783881
Energy: 0.6961219360509043
Energy: 0.6651710283184205
Energy: 0.6538224626055839
Energy: 0.6627424924764077
Energy: 0.6627456922070928
Energy: 0.6618725726609492
Energy: 0.6596107565310414
Energy: 0.703427188430453
Energy: 0.6594368394923621
Energy: 0.6735170307906126
Energy: 0.7028192771715219
Energy: 0.7067346866445929
Energy: 0.664624613520945
Energy: 0.6528520486730252
Energy: 0.6653196979603581
Energy: 0.6623116625223333
Energy: 0.7149511819363646
Energy: 0.6390387606397925
Energy: 0.6628685485496545
Energy: 0.6256327660454631
Energy: 0.6528041944318024
Energy: 0.6622661929039723
Energy: 0.6670793311933046
Energy: 0.6913338628894756
Energy: 0.6679123671714279
Energy: 0.6760871466676341
Energy: 0.6730587361345364
Energy: 0.6508923427331474
Energy: 0.65902344952403
Energy: 0.710626834932824
Energy: 0.6277527230438309
Energy: 0.6271957146233589
Energy: 0.6654542934367416
Energy: 0.6270227611927539
Energy: 0.6914416360986806
Energy: 0.696899565135433
Energy: 0.6496401423209501
Energy: 0.6894513731567617
Energy: 0.6702093222474784
Energy: 0.6762135242397774
Energy: 0.6272467063892359
Energy: 0.6878752996768623
Energy: 0.6746775237197027
Energy: 0.6497172968913674
Energy: 0.6521987236585687
Energy: 0.6729231278511304
Energy: 0.6765465207953779
Energy: 0.672650074388756
Energy: 0.6948889911182458
Energy: 0.7040378700983121
Energy: 0.6650309949649116
Energy: 0.6524371618763432
Energy: 0.6634971787514371
Energy: 0.6623528485519818
Energy: 0.6643165389724469
Energy: 0.6480567388024527
Energy: 0.6653655471742349
Energy: 0.64718109248943
Energy: 0.65206536353963
Energy: 0.6648088819299784
Energy: 0.7070964115175118
Energy: 0.6790241843453378
Energy: 0.6523359066248742
Energy: 0.6468634647265343
Energy: 0.6490750512396571
Energy: 0.6727507953580608
Energy: 0.7032989098290214
Energy: 0.6770145030031244
Energy: 0.6262590687201526
Energy: 0.6535958035521725
Energy: 0.6874867102234027
Energy: 0.6626431969172201
Energy: 0.6661075360193808
Energy: 0.7156727247678558
Energy: 0.6622182158107298
Energy: 0.6728447413443344
Energy: 0.6459181325484918
Energy: 0.662885588911334
Energy: 0.7664983184232754
Energy: 0.6269641196227491
Energy: 0.6261328004685129
Energy: 0.681567108328995
Energy: 0.6249806841416312
Energy: 0.647555206955931
Energy: 0.6583497209657553
Energy: 0.6739755623926295
Energy: 0.6260618332447148
Energy: 0.6261635710727695
Energy: 0.6825211584921975
Energy: 0.625158599847024
Energy: 0.7016952927212862
Energy: 0.6823060502057962
Energy: 0.6638073980922582
Energy: 0.6939303440219008
Energy: 0.7144460446931886
Energy: 0.6267579042604613
Energy: 0.6631219426960903
Energy: 0.6528071601080215
Energy: 0.6976380620549455
Energy: 0.6724450083038169
Energy: 0.6538813605350741
Energy: 0.6635045426405957
Energy: 0.6747877558437916
Energy: 0.6627868072905518
Energy: 0.6460417639470256
Energy: 0.6964308475968142
Energy: 0.6651897748006277
Energy: 0.6537408876231297
Energy: 0.6631761866116143
Energy: 0.662913485084742
Energy: 0.6618918230156552
Energy: 0.658850672983971
Energy: 0.6931110249374902
Energy: 0.6580534847647912
Energy: 0.6736803410063988
Energy: 0.7030932305073361
Energy: 0.7067847354144561
Energy: 0.6664160343033645
Energy: 0.6527805765799791
Energy: 0.6652231802506537
Energy: 0.6629194389185026
Energy: 0.68904196772585
Energy: 0.6394161338016003
Energy: 0.6631044615977313
Energy: 0.625782229836923
Energy: 0.6527457143388676
Energy: 0.6620604360735528
Energy: 0.6613744688743136
Energy: 0.6941152148445779
Energy: 0.6260023384538617
Energy: 0.6749331800838663
Energy: 0.6733920143946753
Energy: 0.6468694741121063
Energy: 0.6589516576351567
Energy: 0.7105826312836971
Energy: 0.6279150804578285
Energy: 0.6270034753278899
Energy: 0.6808098492970883
Energy: 0.6266883380053034
Energy: 0.6907199164975265
Energy: 0.696813277576359
Energy: 0.6497950106963275
Energy: 0.6895794511088656
Energy: 0.6702733518654075
Energy: 0.6622434950312064
Energy: 0.6255781147193865
Energy: 0.6878576821433087
Energy: 0.6750456478900627
Energy: 0.6463203226354144
Energy: 0.652107894711389
Energy: 0.67305482824195
Energy: 0.6763016406231972
Energy: 0.6725780954569124
Energy: 0.6944532965771302
Energy: 0.6632305290499521
Energy: 0.6651337557395963
Energy: 0.6524229902543572
Energy: 0.6634328919756532
Energy: 0.662198723215347
Energy: 0.6641742827766987
Energy: 0.6477060425232306
Energy: 0.6652569435380438
Energy: 0.6473141217472305
Energy: 0.6521326806369587
Energy: 0.6619597205479688
Energy: 0.6990092724045224
Energy: 0.6798897456116301
Energy: 0.6525107209801512
Energy: 0.645848051442757
Energy: 0.6498491895196057
Energy: 0.6728558918898448
Energy: 0.663879610642507
Energy: 0.6773290638926497
Energy: 0.6264235875537326
Energy: 0.6526802684548542
Energy: 0.6877436414407355
Energy: 0.6625724282725378
Energy: 0.6667649185787229
Energy: 0.7152713156462697
Energy: 0.6622163613965522
Energy: 0.6757824053355848
Energy: 0.6508208086795984
Energy: 0.6624138080828417
Energy: 0.7041377403673048
Energy: 0.626890376170904
Energy: 0.6262854664715012
Energy: 0.6813252375084663
Energy: 0.6372189262930222
Energy: 0.686853885862972
Energy: 0.6583552190988341
Energy: 0.6614845572288807
Energy: 0.626116101234556
Energy: 0.6261284350846534
Energy: 0.6821522540014097

minimum gb energy = 0.6249806841416312 eV
minimum distance =  2.61105859283717 Angstroms
sigma value = 21


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

Energy: 0.795970274913279
Energy: 0.7428903454943883
Energy: 0.7026467557190594
Energy: 0.8398129126041601
Energy: 0.706891510975431
Energy: 0.670485990331008
Energy: 0.674960539866622
Energy: 0.6778410412190026
Energy: 0.6936779083793692
Energy: 0.7433548645112111
Energy: 0.6794083111582497
Energy: 0.7055043108026879
Energy: 0.7852008199751378
Energy: 0.6813911504928151
Energy: 0.6469766339287322
Energy: 0.6344377187492933
Energy: 0.6869950845264732
Energy: 0.6444803091793202
Energy: 0.7057844577084121
Energy: 0.6380790806654291
Energy: 0.6751529318777603
Energy: 0.6380507233361706
Energy: 0.6698459755663082
Energy: 0.6950608581687254
Energy: 0.6966549882081021
Energy: 0.6739554646199009
Energy: 0.6601542566273253
Energy: 0.7299354273704743
Energy: 0.6374581764425623
Energy: 0.6207794664470342
Energy: 0.6761678157138266
Energy: 0.6392951033264462
Energy: 0.6538298857533074
Energy: 0.6595847149885808
Energy: 0.6719688436679871
Energy: 0.622163889258343
Energy: 0.6277379292761271
Energy: 0.6477518120096777
Energy: 0.6459670914344213
Energy: 0.6556344311161592
Energy: 0.6524750766357985
Energy: 0.6585670351388636
Energy: 0.6373238341844423
Energy: 0.6452975022775908
Energy: 0.6600185793666942
Energy: 0.6438937729221522
Energy: 0.6211193738962382
Energy: 0.621063867284426
Energy: 0.6675368138515764
Energy: 0.6762659001681626
Energy: 0.6361783036493711
Energy: 0.6821123528157117
Energy: 0.6939519266542994
Energy: 0.6592118779691032
Energy: 0.638968276333458
Energy: 0.6621167047227102
Energy: 0.658102054546869
Energy: 0.6693274888449293
Energy: 0.6783313595964501
Energy: 0.6697692877729595
Energy: 0.6689658403245606
Energy: 0.65346877735287
Energy: 0.6800375932053574
Energy: 0.6931759029288705
Energy: 0.6557992971382951
Energy: 0.6691916931976221
Energy: 0.7316055374607108
Energy: 0.6788797451355484
Energy: 0.6586862405506185
Energy: 0.6461395416271326
Energy: 0.6465041084925441
Energy: 0.7071595290493683
Energy: 0.6623854879195705
Energy: 0.681820800068913
Energy: 0.6783535391137899
Energy: 0.6212802930462277
Energy: 0.6747802772652062
Energy: 0.676576780565375
Energy: 0.6930282491651424
Energy: 0.7387281646085578
Energy: 0.7206610051315808
Energy: 0.6926432471745516
Energy: 0.6873009035184585
Energy: 0.7415866026274454
Energy: 0.6206285533473075
Energy: 0.694973395148521
Energy: 0.6809716227838986
Energy: 0.7379623655273106
Energy: 0.7118389609254745
Energy: 0.6593119867202664
Energy: 0.7225293563320652
Energy: 0.6266995551731335
Energy: 0.7035553970591305
Energy: 0.6611432445982383
Energy: 0.6798443798093747
Energy: 0.6588547842514663
Energy: 0.6984702100656569
Energy: 0.67582769369962
Energy: 0.7594304986016536
Energy: 0.6700930281203843
Energy: 0.6643383799870816
Energy: 0.6746809799657709
Energy: 0.7893477925502057
Energy: 0.6469185452598377
Energy: 0.7571910175155168
Energy: 0.638339676307211
Energy: 0.6703367731950799
Energy: 0.6913711166762024
Energy: 0.682419289944187
Energy: 0.6967972078895666
Energy: 0.6728411622825958
Energy: 0.7299896637322262
Energy: 0.6469494177149699
Energy: 0.6602916732446382
Energy: 0.6696624820708694
Energy: 0.6370239017495241
Energy: 0.6461812519541418
Energy: 0.6528502828126039
Energy: 0.6740115977453782
Energy: 0.6216221829910851
Energy: 0.6585993558423662
Energy: 0.7090379535167995
Energy: 0.6768263386852115
Energy: 0.6485434210473395
Energy: 0.659244071029785
Energy: 0.6773836289422486
Energy: 0.6211200890396507
Energy: 0.6437810813583775
Energy: 0.6669118568563968
Energy: 0.6875073232023095
Energy: 0.6207471422532714
Energy: 0.620936272344789
Energy: 0.6587962334754182
Energy: 0.6507528282045834
Energy: 0.6542910570772973
Energy: 0.6762832708160009
Energy: 0.6812670363875678
Energy: 0.6592869198834818
Energy: 0.6379805917873923
Energy: 0.6735057936965548
Energy: 0.6710033306856106
Energy: 0.6495493665828604
Energy: 0.6748113064178665
Energy: 0.759922043515593
Energy: 0.7433723158728347
Energy: 0.7318234018310114
Energy: 0.7308834207153321
Energy: 0.637022408152918
Energy: 0.7057016887008414
Energy: 0.6634238919933313
Energy: 0.6830601138636871
Energy: 0.6445100876742275
Energy: 0.6909736185300177
Energy: 0.6652419639577016
Energy: 0.7158354699259777
Energy: 0.6339224619273593
Energy: 0.6743758407507184
Energy: 0.6824089851384928
Energy: 0.6907811238309147
Energy: 0.7920670516381596
Energy: 0.7166796646007503
Energy: 0.6439354875768808
Energy: 0.6707158561590137
Energy: 0.7095412118415384
Energy: 0.7744883537238123
Energy: 0.684067974834904
Energy: 0.6872950399846985
Energy: 0.7430984379941759
Energy: 0.6276820350664551
Energy: 0.7085535061578226
Energy: 0.7511580169366598
Energy: 0.6762119489482857
Energy: 0.6651970229502185
Energy: 0.6861964662300587
Energy: 0.6809571037041623

minimum gb energy = 0.6206285533473075 eV
minimum distance =  2.63924450294201 Angstroms
sigma value = 113


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

Energy: 0.73709052913339
Energy: 0.8186663738639866
Energy: 0.8208047975145014
Energy: 0.8199626485400486
Energy: 0.804930941163233
Energy: 0.769521275160058
Energy: 0.8366671573658611
Energy: 0.8304410675994356
Energy: 0.8197001682006114
Energy: 0.8175152430189362
Energy: 0.7985992184028071
Energy: 0.822066888762634
Energy: 0.819147516603697
Energy: 0.7167661463150796
Energy: 0.7950874225609641
Energy: 0.7540676267258682
Energy: 0.7807852504040774
Energy: 0.7924483544811578
Energy: 0.7769886863978623
Energy: 0.7673713382161739
Energy: 0.7435216256906375
Energy: 0.76277063326478
Energy: 0.8239371118894835
Energy: 0.7671169405101468
Energy: 0.7582675323571719
Energy: 0.7890723029230707
Energy: 0.7680985069890598
Energy: 0.8198966076526486
Energy: 0.7311816649213891
Energy: 0.819134214609959
Energy: 0.7560915251309763
Energy: 0.7691164247177095
Energy: 0.7500720602650731
Energy: 0.7189862172203305
Energy: 0.778563984187484
Energy: 0.6916233915172701
Energy: 0.7306481081896136
Energy: 0.7584414710989864
Energy: 0.7214228552209179
Energy: 0.7045204435958837
Energy: 0.7166789890879526
Energy: 0.7581644069130721
Energy: 0.7099382332965818
Energy: 0.7404599541713701
Energy: 0.7217179923100839
Energy: 0.6995587192150532
Energy: 0.7523683060406801
Energy: 0.7425880082975732
Energy: 0.7527069928722758
Energy: 0.6960659886152004
Energy: 0.7024917078740562
Energy: 0.6836456836792066
Energy: 0.8141919245775167
Energy: 0.7724797481876131
Energy: 0.7221226311400758
Energy: 0.710210337541598
Energy: 0.6446455595441555
Energy: 0.6935649171677399
Energy: 0.7005916387600146
Energy: 0.6762359246205516
Energy: 0.6801395777404354
Energy: 0.7888199654246629
Energy: 0.7835260528522259
Energy: 0.7541987665958197
Energy: 0.7434920199731817
Energy: 0.7030157114894683
Energy: 0.6881819143042964
Energy: 0.671242603799932
Energy: 0.7308169292494764
Energy: 0.7391817483044311
Energy: 0.7116203705461183
Energy: 0.679701162215578
Energy: 0.7414553275717827
Energy: 0.7012996976878454
Energy: 0.692192765630696
Energy: 0.7284086646157224
Energy: 0.7484885262155513
Energy: 0.6488100631094734
Energy: 0.6643625367435537
Energy: 0.7798069664419348
Energy: 0.6942333686567791
Energy: 0.747109401806229
Energy: 0.7540684477394981
Energy: 0.7549996070645286
Energy: 0.6908170850400939
Energy: 0.6809740304230527
Energy: 0.6828301291274846
Energy: 0.7752660350639096
Energy: 0.7594072227160957
Energy: 0.7231095873151316
Energy: 0.6961207424582239
Energy: 0.7348723075811832
Energy: 0.718610934251449
Energy: 0.7149193625768748
Energy: 0.7054380722501762
Energy: 0.6923372976530918
Energy: 0.7117766662757247
Energy: 0.6853972456017251
Energy: 0.6654051552762935
Energy: 0.7484970437380458
Energy: 0.7288827025306795
Energy: 0.7130783942580622
Energy: 0.668244119597418
Energy: 0.7542822498914192
Energy: 0.7624319809513254
Energy: 0.7185881052982074
Energy: 0.7471553534584399
Energy: 0.7470244799375438
Energy: 0.740202078145318
Energy: 0.7583390009145816
Energy: 0.7561914859326087
Energy: 0.7696176151083977
Energy: 0.7355438180573022
Energy: 0.7898601143470042
Energy: 0.7415672287813742
Energy: 0.7377081332731054
Energy: 0.7470206582515428
Energy: 0.7712703774704281
Energy: 0.7734323172935651
Energy: 0.7212373063556693
Energy: 0.773154339130677
Energy: 0.741494630946288
Energy: 0.7764876414398716
Energy: 0.7573997779055961
Energy: 0.7699643832713654
Energy: 0.7382849844295283
Energy: 0.7989860495025852
Energy: 0.8199007429176788
Energy: 0.7536937132044875
Energy: 0.8277620462256432
Energy: 0.8498191166100949
Energy: 0.8140890197491942
Energy: 0.8185917986246518
Energy: 0.7659473454366668
Energy: 0.7635982702646732
Energy: 0.7730309474722602
Energy: 0.8202860499855845
Energy: 0.7810627374492375
Energy: 0.7655491962746558
Energy: 0.7293629364677099
Energy: 0.7949334422096135
Energy: 0.7579536073198095
Energy: 0.752724419113194
Energy: 0.7801251473149147
Energy: 0.6958721227431319
Energy: 0.7422607225746267
Energy: 0.7164199211393527
Energy: 0.8035977020190735
Energy: 0.8112315170820107
Energy: 0.7692897250403857
Energy: 0.7809187143413473
Energy: 0.7288208886490934
Energy: 0.7423716517809704
Energy: 0.7147442732931644
Energy: 0.7131527712699176
Energy: 0.8025104436814284
Energy: 0.7761365685783569
Energy: 0.7093996186843875
Energy: 0.796797024785972
Energy: 0.7624643066394671
Energy: 0.7900520035845519
Energy: 0.829758565683924
Energy: 0.8215400674353169
Energy: 0.774544768940771
Energy: 0.7960839925825527
Energy: 0.8013011053840959
Energy: 0.7018147887316747
Energy: 0.7446178305190425
Energy: 0.7283810983997618
Energy: 0.781265009690074
Energy: 0.7757291641879033
Energy: 0.7604313592047163
Energy: 0.7497528443549819
Energy: 0.7701097177879818
Energy: 0.7018076824808932
Energy: 0.7652479434153895
Energy: 0.8320679910203346
Energy: 0.767305572983477
Energy: 0.7601449841026059
Energy: 0.761346798170881
Energy: 0.770307670910111
Energy: 0.8226473688183965
Energy: 0.7661645014304358
Energy: 0.8293956907598125
Energy: 0.7608779771384732
Energy: 0.7765809132263934
Energy: 0.7593453857203971
Energy: 0.7010753457705866
Energy: 0.7792840478828846
Energy: 0.6913043522133665
Energy: 0.7334124864605268
Energy: 0.7553147713325984
Energy: 0.756259643164386
Energy: 0.705896714110284
Energy: 0.7181900332545049
Energy: 0.7961378047245644
Energy: 0.7179032035470332
Energy: 0.7404777776686641
Energy: 0.748039223610694
Energy: 0.7426668823425885
Energy: 0.7486127121102325
Energy: 0.7177442796941712
Energy: 0.7529570706671734
Energy: 0.6990578826578918
Energy: 0.7019371242828185
Energy: 0.6831028602470605
Energy: 0.8140269953035888
Energy: 0.7461926248696643
Energy: 0.6763326002823794
Energy: 0.7102290333372778
Energy: 0.6449888851395165
Energy: 0.6931981258802353
Energy: 0.7014121759637784
Energy: 0.6730119052657717
Energy: 0.7599552654754506
Energy: 0.7880482824580298
Energy: 0.7853865770215105
Energy: 0.7028957274108022
Energy: 0.7780090352198016
Energy: 0.7198702545185058
Energy: 0.6872605252142123
Energy: 0.6712842652887517
Energy: 0.7450351499971342
Energy: 0.6650785620245155
Energy: 0.7556640348425578
Energy: 0.700967852382859
Energy: 0.6888803958706535
Energy: 0.7016288156258494
Energy: 0.684921570374604
Energy: 0.7518932067561451
Energy: 0.7488488806605317
Energy: 0.6690265726049306
Energy: 0.7033448277433153
Energy: 0.7191010262765932
Energy: 0.7132656962320154
Energy: 0.755306274255516
Energy: 0.7550741076415617
Energy: 0.7525973448909697
Energy: 0.708280081686813
Energy: 0.681008457608318
Energy: 0.6825105401449626
Energy: 0.7771029124277558
Energy: 0.7560652427421455
Energy: 0.6862089496224664
Energy: 0.6974087620908971
Energy: 0.7183159519244757
Energy: 0.7178193806432254
Energy: 0.7463363128240988
Energy: 0.6972700159216657
Energy: 0.7061991151621785
Energy: 0.7479887884143562
Energy: 0.7234048810168444
Energy: 0.6652320262030311
Energy: 0.8030966869880726
Energy: 0.7545088049239818
Energy: 0.6731050732072213
Energy: 0.6683343883869327
Energy: 0.7072227362042859
Energy: 0.725630839168154
Energy: 0.7301066463116028
Energy: 0.748868307066106
Energy: 0.7193154655853765
Energy: 0.7403649442927772
Energy: 0.7337805146452
Energy: 0.7558661924043357
Energy: 0.7695489005619351
Energy: 0.7236028372503122
Energy: 0.7663818769248987
Energy: 0.7393650566933575
Energy: 0.7420548343543637
Energy: 0.7682955697885717
Energy: 0.7367059082915115
Energy: 0.7400141758352308
Energy: 0.7238415219368952
Energy: 0.7737348834801804
Energy: 0.746686132917486
Energy: 0.779791577715298
Energy: 0.7616816008979979
Energy: 0.7717909996542774
Energy: 0.7909790248137605
Energy: 0.7987902631185001
Energy: 0.8189206685231761
Energy: 0.7317009953418451
Energy: 0.8379790144026275
Energy: 0.843055693531285
Energy: 0.7339359214146998
Energy: 0.7752976413939647
Energy: 0.7663729799489868
Energy: 0.7622802817734787
Energy: 0.7726342982915306
Energy: 0.7901579757777952
Energy: 0.7306199841906826
Energy: 0.7731837158709818
Energy: 0.729464161430428
Energy: 0.7921686932812689
Energy: 0.7713076554773318
Energy: 0.7618271754925066
Energy: 0.7447695651602727
Energy: 0.7302662997963665
Energy: 0.7420133944984303
Energy: 0.7172672183617956
Energy: 0.8017167380104515
Energy: 0.8108043704461579
Energy: 0.7687078950483629
Energy: 0.7786040599719257
Energy: 0.7273221940176218
Energy: 0.742594810960426
Energy: 0.7169446593947634
Energy: 0.7408280056767604
Energy: 0.7707730168033466
Energy: 0.780087355718033
Energy: 0.7104626169426955
Energy: 0.79660041188549
Energy: 0.7741953851273017
Energy: 0.78867035773794

minimum gb energy = 0.6446455595441555 eV
minimum distance =  2.56714185143688 Angstroms
sigma value = 365


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

Energy: 0.7016332860868578
Energy: 0.6811814818198519
Energy: 0.6816868946000271
Energy: 0.6854230033541931
Energy: 0.6871444063153793
Energy: 0.6814936736470673
Energy: 0.6813877671309508
Energy: 0.6763040026457531
Energy: 0.806701709707913
Energy: 0.6565951258309382
Energy: 0.6548389596318448
Energy: 0.6547960336923433
Energy: 0.6557062008007987
Energy: 0.8062523390386795
Energy: 0.6893147403435743
Energy: 0.8178221952208805
Energy: 0.6553554214455248
Energy: 0.6831863056194803
Energy: 0.6549312790380155
Energy: 0.6549685212778632
Energy: 0.6787919428719066
Energy: 0.6903836578575041
Energy: 0.8372597169766399
Energy: 0.6568809296643014
Energy: 0.6823892802397294
Energy: 0.6844463009537118
Energy: 0.655907541725356
Energy: 0.679219997888857
Energy: 0.7113126122483057
Energy: 0.8077134968532932
Energy: 0.6606345984713266
Energy: 0.7968386240071871
Energy: 0.6554654838889524
Energy: 0.6601337231438843
Energy: 0.8063248088947004
Energy: 0.6908216587729488
Energy: 0.8394499257701398
Energy: 0.6555198426469356
Energy: 0.684637626839664
Energy: 0.6856993249977761
Energy: 0.6766903472371139
Energy: 0.6813034782192559
Energy: 0.6899793768547104
Energy: 0.8109875403898867
Energy: 0.6554263655537441
Energy: 0.6551897999386366
Energy: 0.6546697475850947
Energy: 0.6554422693921229
Energy: 0.8190203084194694
Energy: 0.6893736751179704
Energy: 0.8159199013059036
Energy: 0.6547246059225752
Energy: 0.655232670743546
Energy: 0.6550884809322027
Energy: 0.6546198912467028
Energy: 0.8160353046073111
Energy: 0.691237726628946
Energy: 0.8386590206717444
Energy: 0.6577119107241501
Energy: 0.6833030935526483
Energy: 0.6848813777642775
Energy: 0.6559960043096155
Energy: 0.6806403915361244
Energy: 0.7116888426009051
Energy: 0.8096357774939805
Energy: 0.660734115463523
Energy: 0.801643012301242
Energy: 0.8083766870921771
Energy: 0.6618739538544985
Energy: 0.8062454553165583
Energy: 0.690526429431553
Energy: 0.8382790591526663
Energy: 0.6581777534899227
Energy: 0.6829254004226387
Energy: 0.6842056285065296
Energy: 0.6566284195534339
Energy: 0.6804382552239112
Energy: 0.6892909833068132
Energy: 0.8186545337871417
Energy: 0.6546707641474686
Energy: 0.6538560831104233
Energy: 0.6553293169547119
Energy: 0.6546362016895485
Energy: 0.8152373547431131
Energy: 0.6904870133700103
Energy: 0.8076964321461968
Energy: 0.6557354176426885
Energy: 0.6546704166209085
Energy: 0.6549574611759024
Energy: 0.6552879687341331
Energy: 0.8081069412764609
Energy: 0.6906485934331101
Energy: 0.8406092096127554
Energy: 0.6753012073871928
Energy: 0.684998432631289
Energy: 0.6816638634392193
Energy: 0.6816997872617423
Energy: 0.6812367334681598
Energy: 0.6762909017261932
Energy: 0.8060416171319573
Energy: 0.660097112062856
Energy: 0.655047715104523
Energy: 0.6553870466392684
Energy: 0.6557906854336626
Energy: 0.805715736424645
Energy: 0.6898723106699578
Energy: 0.8168785443987945
Energy: 0.6565172146354761
Energy: 0.6825270511468771
Energy: 0.6849537761200383
Energy: 0.6555505783550795
Energy: 0.6793521379308018
Energy: 0.6895795025944291
Energy: 0.8171198807303606
Energy: 0.655715721409595
Energy: 0.682511244325799
Energy: 0.6543533036955251
Energy: 0.655620792935049
Energy: 0.6783034322806348
Energy: 0.6762196526538923
Energy: 0.8074773559910358
Energy: 0.656546982893616
Energy: 0.6551364810765625
Energy: 0.6552356123616027
Energy: 0.65633944186742
Energy: 0.8061031312868217
Energy: 0.6901789889456439
Energy: 0.8363041238733805
Energy: 0.681476945149957
Energy: 0.6852976981192354
Energy: 0.6820640276186617
Energy: 0.6816326807230133
Energy: 0.6815286659057876
Energy: 0.6909739960854336
Energy: 0.8090259420233654
Energy: 0.655678474499759
Energy: 0.6550918581028038
Energy: 0.655204000850302
Energy: 0.655055991652692
Energy: 0.8072958088234046

minimum gb energy = 0.6538560831104233 eV
minimum distance =  2.63523275557002 Angstroms
sigma value = 23