Model name: model_name=MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8890872895717616
cohesive_energy=3.9103075413017163
mass=106.42
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=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-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: 0.015959685254590846
Energy: 0.922440537230822
Energy: 1.6948624376603838
Energy: 1.1440366206383323
Energy: 1.143418790880392
Energy: 1.4804177049156377
Energy: 0.016993443207622198
Energy: 1.2194153275697053
Energy: 1.1425151396544675
Energy: 0.6641447169678593
Energy: 0.9866801565634059
Energy: 1.0286572840137242
Energy: 0.01694037358747869
Energy: 0.6453040642733542
Energy: 0.7158592095328437
Energy: 1.1429719196844919
Energy: 1.350005285899319
Energy: 0.9908158105625908
Energy: 1.0286591801456253
Energy: 0.9248112054197474
Energy: 0.09366069573151709
Energy: 0.018507002497357143
Energy: 0.9225784727803166
Energy: 1.696501574227705
Energy: 1.1822337092725972
Energy: 1.1431673384524073
Energy: 1.259656256496399
Energy: 0.01720944730885762
Energy: 1.219556265814932
Energy: 1.144270003865225
Energy: 0.6640366383962661
Energy: 0.7106007826888286
Energy: 0.7144734798015594
Energy: 0.016709204756197832
Energy: 0.6480670918234407
Energy: 0.016366330294664472
Energy: 1.19532438120062
Energy: 1.3499387445533197
Energy: 0.9905608742364734
Energy: 0.9178788156326833
Energy: 0.9239286414484168
Energy: 0.09339127188533393

minimum gb energy = 0.015959685254590846 eV
minimum distance =  2.7263902397119 Angstroms
sigma value = 5


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

Energy: 1.5137373756309211
Energy: 1.943836607445447
Energy: 1.6912078315179073
Energy: 1.7854879323824848
Energy: 1.7223051830749807
Energy: 1.6784821825403047
Energy: 1.7764577648372497
Energy: 1.4584729327003767
Energy: 1.75698309380154
Energy: 1.741402645274357
Energy: 1.8575482398095333
Energy: 1.781894557873123
Energy: 1.69569318966456
Energy: 1.6879119839964318
Energy: 1.529171358481508
Energy: 1.6911076567960712
Energy: 1.5431775627032012
Energy: 1.6894324590144092
Energy: 1.7117882289783368
Energy: 1.5873536644316286
Energy: 1.730767902193466
Energy: 1.6556556706365568
Energy: 1.7404295002486234
Energy: 1.6084914711897136
Energy: 1.6434861469848088
Energy: 1.7124450769515716
Energy: 1.7142620199362428
Energy: 1.7868280512359878
Energy: 1.621255913866476
Energy: 1.8319157316831196
Energy: 1.5201661618309514
Energy: 1.6950902548076099
Energy: 1.6887163996279002
Energy: 1.660042167215167
Energy: 1.8701279208265595
Energy: 1.7544767309776645
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Energy: 1.7515409413070646
Energy: 1.8307839568486317
Energy: 1.6840162273787103
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Energy: 1.720173246420515
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Energy: 1.7766505115090128
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Energy: 1.5224988658839829
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Energy: 1.549077896081148
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Energy: 1.4841059664327567
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Energy: 1.5572539800186267
Energy: 1.6421913497191862
Energy: 1.6397000412885738
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Energy: 1.712739159708898
Energy: 1.6636507920824084
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Energy: 1.4474843367004617
Energy: 1.6684054453073187
Energy: 1.726134341175478
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Energy: 1.7871149379165403
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Energy: 1.725863969031024
Energy: 1.590178980620503
Energy: 1.629359605701982
Energy: 1.669850056385068
Energy: 1.737531307946643
Energy: 1.8025719104458533
Energy: 1.6054236019386507
Energy: 1.8924833413416688
Energy: 1.5412051726580842
Energy: 1.6738047448619002
Energy: 1.6113420556844575
Energy: 1.6430706292205208
Energy: 1.7930640952204633
Energy: 1.5753241820961907
Energy: 1.6879615062944626
Energy: 1.6201939471208306
Energy: 1.671063918818963
Energy: 1.703171406441171
Energy: 1.6565353253219028
Energy: 1.7435867362655388
Energy: 1.4458819618559957
Energy: 1.6715182168733749
Energy: 1.6318932274149474
Energy: 1.8147714397677783
Energy: 1.7752006107543001
Energy: 1.5946391037242078
Energy: 1.6743480753466569
Energy: 1.4244404099745553
Energy: 1.7254018500499586
Energy: 1.7244176873272876
Energy: 1.8358345396377405
Energy: 1.7387867112670565
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Energy: 1.653825049411022
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Energy: 1.7949231168948074
Energy: 1.6793672503752701
Energy: 1.7854249777268787
Energy: 1.738281803435126
Energy: 1.5939680801956042
Energy: 1.7417113164800542

minimum gb energy = 1.3899566748653411 eV
minimum distance =  2.41016763633715 Angstroms
sigma value = 401


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

Energy: 1.5541977380745966
Energy: 1.7660921502589746
Energy: 1.5978067386235795
Energy: 1.9056691275702997
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Energy: 1.8574670091833194
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Energy: 2.0346976994913732
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Energy: 2.0178040964681774
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Energy: 1.6094086919599768
Energy: 1.6924647552226106
Energy: 1.590896984660803
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Energy: 2.0496223569160334
Energy: 1.6669122376683998
Energy: 1.5971384643687094
Energy: 1.676595498664311
Energy: 1.612675367803575
Energy: 1.8673636601658052
Energy: 1.574933610426791
Energy: 1.9325323223362434
Energy: 1.6887277120162123
Energy: 1.6446445829143836
Energy: 1.5083557826543301
Energy: 1.577745048633721
Energy: 1.8770112028149055
Energy: 1.7027331661847493
Energy: 1.787479062018766
Energy: 1.6898618139397765
Energy: 1.7002923790276672
Energy: 1.6662308514680584
Energy: 1.5086694581520983
Energy: 1.7237822236283211
Energy: 1.3983562196104404
Energy: 1.6958175176795625
Energy: 1.7640446132719205
Energy: 1.8240822188102845
Energy: 1.7324646083892532
Energy: 1.7470374694336017
Energy: 1.7459001797620584
Energy: 1.4919587863562092
Energy: 1.566584094358266
Energy: 1.6781009547087442
Energy: 2.002991388136807
Energy: 1.915644010866536
Energy: 1.5961634605705952
Energy: 1.6012523226899367
Energy: 1.4635235328912306
Energy: 1.5858966046664493
Energy: 1.7236794506510056
Energy: 1.9582150763650252
Energy: 1.943812477163426
Energy: 1.8508167957824453
Energy: 1.6224170930460873
Energy: 1.482300307010423
Energy: 1.6758691351601733
Energy: 1.67926487895674
Energy: 1.8299405665250095
Energy: 1.9801225447908681
Energy: 1.768664182827947
Energy: 1.6570838833815835
Energy: 1.537016746421527
Energy: 1.672241713416341
Energy: 1.5840467665282596
Energy: 1.8129249903463946
Energy: 1.8939723544176723
Energy: 1.7489349508340226
Energy: 1.6958749942234599
Energy: 1.4912336091284475
Energy: 1.763596618373415
Energy: 1.6263575408548803
Energy: 1.6088695088145675
Energy: 1.6837776229468486
Energy: 1.7229676483136755
Energy: 1.8064359485821129
Energy: 1.6604009562229438
Energy: 1.8928244919926072
Energy: 1.5951619519369604
Energy: 1.6809295158108786
Energy: 1.606322726419525
Energy: 1.6680252288439026
Energy: 1.7797389791437492
Energy: 1.560389105205942
Energy: 2.04998640002092
Energy: 1.7280121338560266
Energy: 1.5539073109206436
Energy: 1.668726992607891
Energy: 1.6565368604275479
Energy: 1.8150903791461765
Energy: 1.6507681115249353
Energy: 1.9327491522096494
Energy: 1.7199538000490349
Energy: 1.6660416515321874
Energy: 1.5946325430894106
Energy: 1.5697344492272127
Energy: 1.8509016033794072
Energy: 1.5727417668675006
Energy: 1.8143145173280497
Energy: 1.696391822509846
Energy: 1.6896517160853035
Energy: 1.6397681116971035
Energy: 1.538268214760219
Energy: 1.7597317971946131
Energy: 1.4391897706381647
Energy: 1.6551992486477793
Energy: 1.8181297992644705
Energy: 1.758304824335531
Energy: 1.693884534645741
Energy: 1.6086954586187177
Energy: 1.744517656251637
Energy: 1.5226639668798383
Energy: 1.5488431511671084
Energy: 1.6256778905520468
Energy: 1.9509892498269723
Energy: 1.8858621549231767
Energy: 1.7200474573890971
Energy: 1.6691868706628994
Energy: 1.4282825307628897
Energy: 1.638664197249207
Energy: 1.7581154537733164
Energy: 1.943196503296677
Energy: 2.0759005378602993
Energy: 1.673638705499239
Energy: 1.5615290532569563

minimum gb energy = 1.386525204053971 eV
minimum distance =  2.45070383777766 Angstroms
sigma value = 311


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

Energy: 1.5755249072652207
Energy: 1.7372892196315783
Energy: 1.5906036955066518
Energy: 1.7716159305684998
Energy: 1.6366381489095014
Energy: 1.5679981534648788
Energy: 1.7065545797131054
Energy: 1.6265401649443483
Energy: 1.7076000810606249
Energy: 1.67262042073594
Energy: 1.6566875986592018
Energy: 1.631999737025915
Energy: 1.6118593287305738
Energy: 1.6921828292818226
Energy: 1.6201038207944156
Energy: 1.6813960309272815
Energy: 1.555105042720799
Energy: 1.6627784659092106
Energy: 1.7388605243320805
Energy: 1.622449045787468
Energy: 1.7139531836210284
Energy: 1.540874978154258
Energy: 1.6710308472907651
Energy: 1.502593782735467
Energy: 1.7163091200665883
Energy: 1.8273036937830842
Energy: 1.612937628625648
Energy: 1.707379043795778
Energy: 1.6226131370615697
Energy: 1.8294687457587582
Energy: 1.5639951915336836
Energy: 1.6728243963791498
Energy: 1.6652819553021656
Energy: 1.5919212540334349
Energy: 1.8754487992338587
Energy: 1.5882690340921657
Energy: 1.7946888437523614
Energy: 1.6155579975632783
Energy: 1.719876298687978
Energy: 1.6344185192637444
Energy: 1.6085293094226882
Energy: 1.8065553980786342
Energy: 1.5765541203918563
Energy: 1.8119100231566838
Energy: 1.5809419547906036
Energy: 1.7389972189755194
Energy: 1.7127741485794605
Energy: 1.5833043173821797
Energy: 1.6959904568934128
Energy: 1.5446449374006053
Energy: 1.7414259734053257
Energy: 1.6348079633711754
Energy: 1.684234494441053
Energy: 1.5842683716104586
Energy: 1.6190024633396736
Energy: 1.7344453163786777
Energy: 1.4973164451662382
Energy: 1.73836415094865
Energy: 1.6757016393015969
Energy: 1.7715763525837558
Energy: 1.7140083790250569
Energy: 1.5906286007824022
Energy: 1.6762345452491165
Energy: 1.5422472672197263
Energy: 1.7502141457854075
Energy: 1.601202744292468
Energy: 1.7564221452216169
Energy: 1.7849026077506462
Energy: 1.5693652499958946
Energy: 1.6613515160128354
Energy: 1.5426821750564577
Energy: 1.7948694079472007
Energy: 1.5672416783800678
Energy: 1.669640344465224
Energy: 1.707699055789824
Energy: 1.6450975494505389
Energy: 1.8716642025612116
Energy: 1.5488722762195108
Energy: 1.7421804893490536
Energy: 1.6141848779677714
Energy: 1.8109290126719453
Energy: 1.728679611239284
Energy: 1.720805127277539
Energy: 1.7164722090417008
Energy: 1.5405731458984664
Energy: 1.7438590403979188
Energy: 1.5435786900907067
Energy: 1.8004016069597828
Energy: 1.790292637446124
Energy: 1.5498141993080965
Energy: 1.6941280664615872
Energy: 1.5677294544512224
Energy: 1.6434265671052348
Energy: 1.5760455083927063
Energy: 1.6714671446189637
Energy: 1.6568162841261371
Energy: 1.694759848473215
Energy: 1.7635295462471592
Energy: 1.52022127228548
Energy: 1.6891754268912271
Energy: 1.5345919854946368
Energy: 1.7456683104834962
Energy: 1.7108029356437056
Energy: 1.6951247258558213
Energy: 1.702023427278833
Energy: 1.5642511497566727
Energy: 1.7650000010986149
Energy: 1.634650053470448
Energy: 1.7801044910232788
Energy: 1.7008418997162942
Energy: 1.7166370514771225
Energy: 1.713399780864746
Energy: 1.5349751540691225
Energy: 1.9137867637100483
Energy: 1.6481120217425895
Energy: 1.6629393384537
Energy: 1.6766211337069608
Energy: 1.5496849937246209
Energy: 1.8143785400678807
Energy: 1.7114293100966846
Energy: 1.8116473313232255
Energy: 1.7260986326569598
Energy: 1.8220096362505225
Energy: 1.7802403384306758
Energy: 1.7340641966400105
Energy: 1.744702327272836
Energy: 1.5584450241859311
Energy: 1.8187107195423107
Energy: 1.5657953599147978
Energy: 1.734057992029114
Energy: 1.685214585579474
Energy: 1.576386456019651
Energy: 1.7720703696535622
Energy: 1.5622828372555524
Energy: 1.6677113058518522
Energy: 1.5724256157555205
Energy: 1.6714335506791143
Energy: 1.6037724273777445
Energy: 1.6242397103380124
Energy: 1.7393603247052454
Energy: 1.5133353000363277
Energy: 1.6962591659400366
Energy: 1.5037663108446657
Energy: 1.7957218728517839
Energy: 1.6984136105120498
Energy: 1.5622633476751608
Energy: 1.7652987977613699
Energy: 1.6013665728357724
Energy: 1.698809402578235
Energy: 1.6062822434683013
Energy: 1.8056040376665417
Energy: 1.7904470884165935
Energy: 1.7954305146548788
Energy: 1.756778080984167
Energy: 1.6034793447351225
Energy: 1.8409342690290307
Energy: 1.578729577873611
Energy: 1.6444906019143235
Energy: 1.6754570139704423
Energy: 1.5805251337631063
Energy: 1.8489633355520048
Energy: 1.5887533718762479
Energy: 1.773967640855671
Energy: 1.7090801367422765
Energy: 1.7745210550388744
Energy: 1.7599975785714448
Energy: 1.719838745477396
Energy: 1.7974472534779522
Energy: 1.4939769154101696
Energy: 1.803780572320311
Energy: 1.5902220636082811
Energy: 1.7582977678500664
Energy: 1.6983092827635586
Energy: 1.5645450962619205
Energy: 1.772734247258378
Energy: 1.5363997050106921
Energy: 1.719611151286683
Energy: 1.6329025302508042
Energy: 1.6631903259071725
Energy: 1.5929662025569729
Energy: 1.61793410436535
Energy: 1.698217918756915
Energy: 1.5105136846307798
Energy: 1.7666005749171567
Energy: 1.6017647543374995
Energy: 1.793661424552647
Energy: 1.6791236321062941
Energy: 1.5682532966632614
Energy: 1.6867047141778546
Energy: 1.6274883947213468
Energy: 1.8045212404831619
Energy: 1.5419826042973488
Energy: 1.7893576766152655
Energy: 1.797121389027505
Energy: 1.7337971946680228
Energy: 1.7636994783628381
Energy: 1.5820774965707676
Energy: 1.83176523013967
Energy: 1.5693501156560314
Energy: 1.65262838643706
Energy: 1.7159638396247199
Energy: 1.6672107343010305
Energy: 1.867688442961922
Energy: 1.6275603810411765
Energy: 1.7828105424628315
Energy: 1.6220975043858126
Energy: 1.7698641976746203
Energy: 1.7533329058405105
Energy: 1.6316167713419962
Energy: 1.7553002176117443
Energy: 1.5621415790904911
Energy: 1.7109138893886966
Energy: 1.6496077706120418
Energy: 1.6673504628123983
Energy: 1.781761151962521
Energy: 1.7244530728641425
Energy: 1.800628802754837
Energy: 1.5578335608546279
Energy: 1.624903530438146
Energy: 1.554925389873495
Energy: 1.667624796668144
Energy: 1.6417295528617852
Energy: 1.6368455120326062
Energy: 1.7683453240483256
Energy: 1.4938667859125985
Energy: 1.7320184433989188
Energy: 1.5326190110958855
Energy: 1.7623089392621831
Energy: 1.6987596369248958
Energy: 1.5825896010912681
Energy: 1.6962120698734309
Energy: 1.5149481876374487
Energy: 1.7974218744483472
Energy: 1.6441100027054136
Energy: 1.903306741246608
Energy: 1.6882105043374394
Energy: 1.6136291195902133
Energy: 1.676256259177542
Energy: 1.5724444491378606
Energy: 1.906731670485545
Energy: 1.6480985088525408
Energy: 1.6840489620326782
Energy: 1.6968896471478387
Energy: 1.5721298814797553
Energy: 1.8898542096764477
Energy: 1.5774457871111331
Energy: 1.8233081733723389
Energy: 1.589910337370164
Energy: 1.7639204548263674
Energy: 1.67188323152362
Energy: 1.5803013529419943
Energy: 1.6881884870553485

minimum gb energy = 1.4938667859125985 eV
minimum distance =  2.41910208834007 Angstroms
sigma value = 39


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

Energy: 1.3202402400954625
Energy: 1.6811764296206084
Energy: 1.7319911614546164
Energy: 1.8092257689910627
Energy: 1.7613031712995735
Energy: 1.6339939298789319
Energy: 1.5977714886097154
Energy: 1.7809274015569805
Energy: 1.7813169117687326
Energy: 1.581850955882584
Energy: 1.573950243951953
Energy: 1.5625758464230093
Energy: 1.563296255524814
Energy: 1.7866773471299484
Energy: 2.0794828943595225
Energy: 1.5732477190102125
Energy: 1.5230511320676487
Energy: 1.4403612717015872
Energy: 1.4245491887746873
Energy: 1.3932181918991515
Energy: 1.8772817680387837
Energy: 1.4865020370613358
Energy: 1.6185751784959723
Energy: 1.491675939605515
Energy: 1.5346225437144076
Energy: 1.53559480613029
Energy: 1.5158495320174123
Energy: 1.7916581540605891
Energy: 1.402393824867305
Energy: 1.43566260601722
Energy: 1.4454745938730655
Energy: 1.6320962977854445
Energy: 1.8791605063463817
Energy: 1.8569016069381854
Energy: 1.5787311445949772
Energy: 1.535872081027579
Energy: 1.6356711216270248
Energy: 1.5216649716993416
Energy: 1.9630612812137758
Energy: 1.499828649782127
Energy: 1.746616515632333
Energy: 1.737942081724433
Energy: 1.6177383113957517
Energy: 1.949743687593418
Energy: 1.7328830774980668
Energy: 1.644617668459515
Energy: 1.507074009082771
Energy: 1.3862358108015749
Energy: 1.8582556274665047
Energy: 1.3833703024449202
Energy: 1.6748030411067323
Energy: 1.7643595356801187
Energy: 2.0590207972482224
Energy: 1.7751518395696921
Energy: 1.6981037373107413
Energy: 1.7403083580543088
Energy: 1.345957351842419
Energy: 1.7119025000685646
Energy: 1.668265729900297
Energy: 1.9428292527432693
Energy: 1.8290340448576181
Energy: 1.6704224685153557
Energy: 1.765634917132701
Energy: 1.6664936812080167
Energy: 1.9750184849926402
Energy: 1.5519814659486584
Energy: 1.3886927597312346
Energy: 1.447970272237096
Energy: 1.4768911759085195
Energy: 1.7347379046709954
Energy: 1.6591495767524709
Energy: 1.5767153439862003
Energy: 1.5230155619646746
Energy: 1.6146191113287771
Energy: 1.591550960067337
Energy: 1.399465317379839
Energy: 1.7084152753426105
Energy: 1.454528183714697
Energy: 1.5405305446438904
Energy: 1.5929144257498289
Energy: 1.637367002442025
Energy: 1.6612737747802249
Energy: 1.6446506048368392
Energy: 1.555239658209933
Energy: 1.374789261334767
Energy: 1.4810108731934455
Energy: 1.5773573130798262
Energy: 1.6335666833571785
Energy: 1.781568826093056
Energy: 1.742477740224402
Energy: 1.6884535585651117
Energy: 1.5817982496898213
Energy: 1.8262042027583427
Energy: 1.658992546432228
Energy: 1.683850721833654
Energy: 1.4718390717002292
Energy: 1.4527189092828943
Energy: 1.8649324444265845
Energy: 1.524034159974431
Energy: 1.7533373917129071
Energy: 1.8542202806464505
Energy: 1.8165806067456804
Energy: 1.6134326678779316
Energy: 1.4117131945224084
Energy: 1.805293458015187
Energy: 1.3202613873599205
Energy: 1.7071193191411742
Energy: 1.7309705621077442
Energy: 1.8089867493312355
Energy: 1.7610273556145444
Energy: 1.6340299935360858
Energy: 1.6174849711527453
Energy: 1.7813275603279275
Energy: 1.7797046869288904
Energy: 1.5817185951169312
Energy: 1.573975938418239
Energy: 1.5592055129537121
Energy: 1.542253915369164
Energy: 1.7633111581720802
Energy: 2.0151613284260947
Energy: 1.693251924989098
Energy: 1.5224626351707353
Energy: 1.4575084055448244
Energy: 1.5723539743337425
Energy: 1.3928732444652054
Energy: 1.8778519910318754
Energy: 1.4859069091280863
Energy: 1.6170146402072727
Energy: 1.4921385348550877
Energy: 1.5331737678707136
Energy: 1.5356904624849854
Energy: 1.515923526427156
Energy: 1.7827824234357357
Energy: 1.4025837244842074
Energy: 1.435791117981273
Energy: 1.4734198959381517
Energy: 1.63207165418647
Energy: 1.8794762818047828
Energy: 1.8496794525237858
Energy: 1.5795707006908084
Energy: 1.5448008040901193
Energy: 1.6359783460776247
Energy: 1.6452879627381491
Energy: 1.891572575853697
Energy: 1.499960802660835
Energy: 1.5992517199969767
Energy: 1.7821608713300041
Energy: 1.6185949197301401
Energy: 1.9503914645696752
Energy: 1.733027969057754
Energy: 1.644679000036374
Energy: 1.5076073019792324
Energy: 1.4405308877421632
Energy: 1.89120180915513
Energy: 1.4148120627215988
Energy: 1.6682154877720647
Energy: 1.763781210000943
Energy: 2.064420133090728
Energy: 1.7780225855792668
Energy: 1.699087036343782
Energy: 1.7403065846007537
Energy: 1.2964414918373837
Energy: 1.7121127415411346
Energy: 1.707695335875627
Energy: 1.9200008463868534
Energy: 1.8287437211194897
Energy: 1.669609044985209
Energy: 1.7651357682684528
Energy: 1.6615028168968184
Energy: 1.975744270812215
Energy: 1.5715512994905931
Energy: 1.3922725104538083
Energy: 1.4474620690841398
Energy: 1.4767950306566873
Energy: 1.755524102661646
Energy: 1.6587411983342264
Energy: 1.7166549330896597
Energy: 1.6261119486564761
Energy: 1.6126920878449573
Energy: 1.588969061282612
Energy: 1.5629390869587596
Energy: 1.8044341003993207
Energy: 1.4539156494882763
Energy: 1.5480082771405201
Energy: 1.5929534203821196
Energy: 1.638152786745258
Energy: 1.6611737928496442
Energy: 1.6421423198690708
Energy: 1.557866193938146
Energy: 1.375872164281231
Energy: 1.48586860552729
Energy: 1.577813013681967
Energy: 1.6341345654930137
Energy: 1.76293446557051
Energy: 1.7447783499344032
Energy: 1.688971838672827
Energy: 1.5816309867854452
Energy: 1.8267195829178555
Energy: 1.6595649505385424
Energy: 1.6112591091332131
Energy: 1.4711411965198467
Energy: 1.4522248105626234
Energy: 1.865359863000378
Energy: 1.52366650298746
Energy: 1.75375145896573
Energy: 1.8543532653246162
Energy: 1.6901453466842193
Energy: 1.613931198914618
Energy: 1.411681577644749
Energy: 1.7696731000193993

minimum gb energy = 1.2964414918373837 eV
minimum distance =  2.4799514900777 Angstroms
sigma value = 21


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

Energy: 1.7492738724756112
Energy: 1.797667957720535
Energy: 1.6881484695054594
Energy: 1.8440037749021605
Energy: 1.7803977189611486
Energy: 1.6156523143520325
Energy: 1.814776971529395
Energy: 1.7315473860944983
Energy: 1.8591246420400351
Energy: 1.800432263690865
Energy: 1.7955580025201703
Energy: 1.8141130409832324
Energy: 1.7989264593239944
Energy: 1.921948718878502
Energy: 1.6949225884364492
Energy: 1.6602915131855611
Energy: 1.73645039083253
Energy: 1.7035251615972118
Energy: 1.7619819412650377
Energy: 1.74098667568751
Energy: 1.8274950085623543
Energy: 1.7925627462298546
Energy: 1.8587426677327161
Energy: 1.592108456352083
Energy: 1.7579714335239776
Energy: 1.6946560762119995
Energy: 1.532260418861209
Energy: 1.7719847590073043
Energy: 1.567748035251373
Energy: 1.6652210905851348
Energy: 1.7819669051588742
Energy: 1.9094068511602933
Energy: 1.9392503910484182
Energy: 1.7814895099992683
Energy: 1.6637211541976196
Energy: 1.5153903199613945
Energy: 1.5965499189153507
Energy: 1.6646564374862487
Energy: 1.9008090513610925
Energy: 1.8781124946253498
Energy: 1.7726372630374052
Energy: 1.7236189261952766
Energy: 1.8968198141466714
Energy: 1.7825375897604756
Energy: 1.5140562015141419
Energy: 1.6250069601569213
Energy: 1.5424285687704693
Energy: 1.5443716820238576
Energy: 1.8374483878573165
Energy: 1.609155066584566
Energy: 1.9134378303465536
Energy: 1.6552481158660477
Energy: 1.7178545221660342
Energy: 1.6904025400903868
Energy: 1.6838032171123847
Energy: 1.7799497482103224
Energy: 1.585529327152058
Energy: 1.8055236427213197
Energy: 1.7246213615925288
Energy: 1.772680357958106
Energy: 1.8416532968256
Energy: 1.7876678821771013
Energy: 1.7685360056991524
Energy: 1.692098848453086
Energy: 1.7355088093347462
Energy: 1.585054360477023
Energy: 1.7575982620433637
Energy: 1.771927161640554
Energy: 1.663514491230662
Energy: 1.7904969911756432
Energy: 1.7029319638201075
Energy: 1.941120663228735
Energy: 1.8057568230802958
Energy: 1.861306595556907
Energy: 1.7735741292990366
Energy: 1.7808944018110797
Energy: 1.8018175765412328
Energy: 1.5516964866084082
Energy: 1.8875954111225426
Energy: 1.8703935306740544
Energy: 1.892106661777671
Energy: 1.8415342947716444
Energy: 1.8257730414047886
Energy: 1.9436349787695948
Energy: 1.664860645098505
Energy: 1.8120927298061076
Energy: 1.6937842822712676
Energy: 1.816310108487506
Energy: 1.9092982066690252
Energy: 1.6880603893054864
Energy: 1.8032099721896817
Energy: 1.7542218790536956
Energy: 1.8509402932908112
Energy: 1.7925298462138568
Energy: 1.8032168889344815
Energy: 1.8258660298639648
Energy: 1.795813765673351
Energy: 1.8432146854496747
Energy: 1.665088731765169
Energy: 1.9128764719713063
Energy: 1.5960927919340988
Energy: 1.712898700420874
Energy: 1.7771176815406928
Energy: 1.7573573029375966
Energy: 1.8827661242637714
Energy: 1.9299799289231856
Energy: 1.7875125450290037
Energy: 1.6265123705961633
Energy: 1.6598913149338752
Energy: 1.6526279065824985
Energy: 1.7037511692270686
Energy: 1.851624701774706
Energy: 1.5631370271215557
Energy: 1.7435344375056065
Energy: 1.7262876152077418
Energy: 1.761388088019865
Energy: 1.801279272741128
Energy: 1.6295666647290385
Energy: 1.73022836536198
Energy: 1.4168074320934951
Energy: 1.5670901570166784
Energy: 1.7820081220758597
Energy: 1.9532519689293473
Energy: 1.8965414820908957
Energy: 1.7741862421201604
Energy: 1.6875166705157014
Energy: 1.7222285748066894
Energy: 1.7814097639266642
Energy: 1.6270202541128538
Energy: 1.6831358099913267
Energy: 1.626230835433604
Energy: 1.661985026337863
Energy: 1.695472537450078
Energy: 1.895842672148692
Energy: 1.7626344131802585
Energy: 1.614585631936835
Energy: 1.6529987153276384
Energy: 1.6824675077249942
Energy: 1.6539117143318094
Energy: 1.9065732838669482
Energy: 1.53270723387629
Energy: 1.8451491816563215
Energy: 1.7808265186553474
Energy: 1.7334657179760171
Energy: 1.858361632780944
Energy: 1.763835796720534
Energy: 1.7770604813206659
Energy: 1.6976834815884183
Energy: 1.769225837243518
Energy: 1.6293713515137604
Energy: 1.7449097412240393
Energy: 1.766254748080394
Energy: 1.6849937169757874
Energy: 1.8078654109653867
Energy: 1.7540188801915235
Energy: 1.8444508518540055
Energy: 1.7599802982655313
Energy: 1.803541847700989
Energy: 1.6074167217478061
Energy: 1.837788065647636
Energy: 1.8443180450393504
Energy: 1.6094932563391877
Energy: 1.7999936119048308
Energy: 1.778694411166149
Energy: 1.8609732278705244
Energy: 1.8366013871114337
Energy: 1.8375630312913251
Energy: 1.9795936613026661
Energy: 1.803195410050995
Energy: 1.8780791481175323
Energy: 1.8314146312322865
Energy: 1.8580843099739717
Energy: 1.7431834794217402
Energy: 1.8425514895560027
Energy: 1.906365465328875

minimum gb energy = 1.4168074320934951 eV
minimum distance =  2.4312994837687 Angstroms
sigma value = 113


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

Energy: 1.7350693560591128
Energy: 1.8971916329053347
Energy: 1.7431255969911137
Energy: 1.832593082881054
Energy: 1.8099709751845303
Energy: 1.7196042272595142
Energy: 1.8780851651908228
Energy: 1.857589098241971
Energy: 1.95948908007084
Energy: 1.8065192481750068
Energy: 1.7900288618232836
Energy: 1.883859387189932
Energy: 1.8116089984085464
Energy: 1.9569822152441148
Energy: 1.788890138499867
Energy: 1.7976604826668148
Energy: 1.6613604111336395
Energy: 1.7376906507252439
Energy: 1.7712288791619444
Energy: 1.692305818188534
Energy: 1.8423444227453274
Energy: 1.64973793180657
Energy: 1.914195303117108
Energy: 1.6688860581364482
Energy: 1.7819389346551207
Energy: 1.7590570922259094
Energy: 1.6294775905904963
Energy: 1.8928519260991932
Energy: 1.5965023550582942
Energy: 1.8234681714183174
Energy: 1.7758778285634438
Energy: 1.837367758734536
Energy: 1.8780872390284145
Energy: 1.7508501541824149
Energy: 1.7515219433942257
Energy: 1.599616758103395
Energy: 1.7072204455057747
Energy: 1.6760949362010829
Energy: 1.7517016917235875
Energy: 1.694580290394315
Energy: 1.6956268821715554
Energy: 1.707917247350318
Energy: 1.713700020434881
Energy: 1.8554150165159025
Energy: 1.6996736626746851
Energy: 1.7256301974428967
Energy: 1.7154318469863978
Energy: 1.7558445515257721
Energy: 1.8545425111449367
Energy: 1.7314046900909077
Energy: 1.7186224306836981
Energy: 1.6739496513753465
Energy: 1.7216640664084752
Energy: 1.7311672975547738
Energy: 1.688104209097649
Energy: 1.8597850879246072
Energy: 1.6799787971226894
Energy: 1.7946425757663647
Energy: 1.6613921723200156
Energy: 1.7094529617447747
Energy: 1.69387418529993
Energy: 1.631756509492271
Energy: 1.7562487724631484
Energy: 1.6077945632636825
Energy: 1.757603421638625
Energy: 1.7306672030098535
Energy: 1.8238353965319143
Energy: 1.751701582290193
Energy: 1.7561867358810839
Energy: 1.7569426945526052
Energy: 1.649437499249127
Energy: 1.7099711483815248
Energy: 1.6630897194996073
Energy: 1.7865401729042292
Energy: 1.8060875371080676
Energy: 1.6611025707593532
Energy: 1.7930741446111378
Energy: 1.7609534542023504
Energy: 1.8174949753474794
Energy: 1.6593948144749913
Energy: 1.6491190485270568
Energy: 1.6757865680078934
Energy: 1.646316849135005
Energy: 1.8434465370493571
Energy: 1.725241275917248
Energy: 1.667067658741568
Energy: 1.632321100649381
Energy: 1.7399629507008576
Energy: 1.6920244561986935
Energy: 1.6361630564589613
Energy: 1.725399227197036
Energy: 1.6531741559633901
Energy: 1.820297469028777
Energy: 1.7906293004751974
Energy: 1.7178118951737404
Energy: 1.7919589801703646
Energy: 1.7297924168472383
Energy: 1.7896585596958243
Energy: 1.5869695228688638
Energy: 1.705088224113827
Energy: 1.6398547390067992
Energy: 1.758503007176149
Energy: 1.7319978873928112
Energy: 1.7007022113541927
Energy: 1.7339462217723856
Energy: 1.5806999759974796
Energy: 1.7639383268140019
Energy: 1.764313290722598
Energy: 1.7936781624726543
Energy: 1.7698111979163638
Energy: 1.7406066339423625
Energy: 1.7450282295414044
Energy: 1.7621520620126316
Energy: 1.8913316800618987
Energy: 1.663328274093891
Energy: 1.730141167416571
Energy: 1.7074405519423566
Energy: 1.6652372648378986
Energy: 1.910445602877056
Energy: 1.6708718114806023
Energy: 1.775810316334564
Energy: 1.668290119252833
Energy: 1.715646843473363
Energy: 1.673682121624705
Energy: 1.6514372019101928
Energy: 1.7421475560950002
Energy: 1.7425902117894716
Energy: 1.8819756452186729
Energy: 1.7815584252583196
Energy: 1.811543323395863
Energy: 1.7946110248287717
Energy: 1.8094628762066636
Energy: 1.8871910144969883
Energy: 1.6583411344708874
Energy: 1.8613632814474728
Energy: 1.6947645840863992
Energy: 1.8351034865803686
Energy: 1.8563922353016422
Energy: 1.7240980640575139
Energy: 1.874873204387216
Energy: 1.7277567847682929
Energy: 1.9730477156367638
Energy: 1.7627773882495772
Energy: 1.8671835718314296
Energy: 1.789559153890501
Energy: 1.719089886157208
Energy: 1.9040242202578148
Energy: 1.6997347501242563
Energy: 1.9201813902796478
Energy: 1.7688407423593826
Energy: 1.863523400105549
Energy: 1.8135738095952303
Energy: 1.7342563404139253
Energy: 1.9625400749167077
Energy: 1.6777704060362189
Energy: 1.860352320640134
Energy: 1.719609410441634
Energy: 1.8532948806522849
Energy: 1.8599269113584351
Energy: 1.710177831893492
Energy: 1.8342274501137765
Energy: 1.78484095486498
Energy: 1.946473011503385
Energy: 1.8142034265615616
Energy: 1.837397759890487
Energy: 1.817632850463603
Energy: 1.8268359011411635
Energy: 1.9280839282341413
Energy: 1.6774805489091216
Energy: 1.837885587752348
Energy: 1.6640033386660906
Energy: 1.7250418595185617
Energy: 1.7091350036115929
Energy: 1.6931875720593326
Energy: 1.8442955367955574
Energy: 1.6974918358106215
Energy: 1.9345149264404173
Energy: 1.67693222777437
Energy: 1.7930009188345808
Energy: 1.7333727879809517
Energy: 1.6205020377025934
Energy: 1.9171739258717735
Energy: 1.5915838658301817
Energy: 1.8550545046155391
Energy: 1.7907952075922235
Energy: 1.8507634623383213
Energy: 1.7985947043283759
Energy: 1.7423980760286328
Energy: 1.7657147035795109
Energy: 1.5927024829460623
Energy: 1.7261702808732753
Energy: 1.6607680377390635
Energy: 1.7797203814648257
Energy: 1.700985154949882
Energy: 1.6468722187408489
Energy: 1.7408379080623135
Energy: 1.7215210661102993
Energy: 1.8722131282889303
Energy: 1.7032978406319186
Energy: 1.8133845282412648
Energy: 1.7516791344367035
Energy: 1.7527307231171725
Energy: 1.851141237334831
Energy: 1.7194081288179306
Energy: 1.720659689442155
Energy: 1.6446777012444145
Energy: 1.7072260675125466
Energy: 1.7102021614728216
Energy: 1.628778007286753
Energy: 1.808942885276854
Energy: 1.7058656302668482
Energy: 1.822158686389732
Energy: 1.6839146102205564
Energy: 1.7189199664875856
Energy: 1.6864258720042198
Energy: 1.6354937590323395
Energy: 1.7977828038042476
Energy: 1.6643073857708774
Energy: 1.7177912371672779
Energy: 1.73163065565426
Energy: 1.8278861267315216
Energy: 1.7534475949016342
Energy: 1.7476734016700015
Energy: 1.694855603712272
Energy: 1.6575892839515871
Energy: 1.7342988478368404
Energy: 1.710118567513115
Energy: 1.7975461613972508
Energy: 1.7958851405001213
Energy: 1.7074136442175458
Energy: 1.7628819904068591
Energy: 1.760033907831625
Energy: 1.8195831439814028
Energy: 1.6393405787211641
Energy: 1.658200395801167
Energy: 1.6641677392458032
Energy: 1.631515294068005
Energy: 1.8284050240629768
Energy: 1.7313799905288443
Energy: 1.741580801976566
Energy: 1.6330757202667545
Energy: 1.7367899886322513
Energy: 1.6977585337499674
Energy: 1.6709195446513805
Energy: 1.7897872300102269
Energy: 1.660913925607713
Energy: 1.800749752134014
Energy: 1.7514671766307681
Energy: 1.800513637833226
Energy: 1.7586209946862854
Energy: 1.724697282839603
Energy: 1.7876268988304727
Energy: 1.589125973168678
Energy: 1.7015609266390117
Energy: 1.6271122508470652
Energy: 1.748261789767787
Energy: 1.7421370946269188
Energy: 1.6750976787953884
Energy: 1.7235226150215306
Energy: 1.573651006263435
Energy: 1.794255263243576
Energy: 1.7677353038722883
Energy: 1.813699948679084
Energy: 1.7478752179531074
Energy: 1.7384157714102544
Energy: 1.7421945359745106
Energy: 1.7166835581505124
Energy: 1.881795275354194
Energy: 1.667195457391812
Energy: 1.7542877726445634
Energy: 1.6978997108209226
Energy: 1.6043009787491467
Energy: 1.903589402761469
Energy: 1.669665085044618
Energy: 1.8050660047514873
Energy: 1.6375655686366521
Energy: 1.6985020039893526
Energy: 1.736359812784341
Energy: 1.6624064899927904
Energy: 1.7743990521441548
Energy: 1.7547587800969484
Energy: 1.8688558022745116
Energy: 1.786644063616107
Energy: 1.799553249988049
Energy: 1.830821971677495
Energy: 1.82626368212581
Energy: 1.901395946541133
Energy: 1.6773721873488576
Energy: 1.8482709715725822
Energy: 1.723387207880996
Energy: 1.8386110172582968
Energy: 1.8563021814968736
Energy: 1.7203496042242181
Energy: 1.8380307976444186
Energy: 1.7348900033796208
Energy: 1.9133713068677942
Energy: 1.76343227874737
Energy: 1.8488534456000083
Energy: 1.767553016324814
Energy: 1.7119982588866454
Energy: 1.9173855502776365
Energy: 1.7488230019804922
Energy: 1.9687783399740826
Energy: 1.7607935432610078
Energy: 1.851974704807295
Energy: 1.8252357026674675
Energy: 1.7464150158270726
Energy: 1.994621616468079
Energy: 1.713641072427956
Energy: 1.8871271942194783
Energy: 1.7652618055826266
Energy: 1.8208010954499858
Energy: 1.8506186967025553
Energy: 1.7298057807523217
Energy: 1.9076939026389106

minimum gb energy = 1.573651006263435 eV
minimum distance =  2.38948946957981 Angstroms
sigma value = 365


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

Energy: 1.3988759197913838
Energy: 1.7272191233015777
Energy: 1.3985096549572835
Energy: 1.3860246293355822
Energy: 1.386275829898479
Energy: 1.3974947103650757
Energy: 1.4738818011286527
Energy: 1.4033944597351935
Energy: 1.7899189179838142
Energy: 1.3416715246443958
Energy: 1.3219295736671373
Energy: 1.3331463599018871
Energy: 1.3425090856943347
Energy: 1.8083318356400282
Energy: 1.3479110270331243
Energy: 1.808006140802787
Energy: 1.385380420836694
Energy: 1.4124436812904193
Energy: 1.3809515765345182
Energy: 1.3853015946638252
Energy: 1.3962639259853702
Energy: 1.3925289695376257
Energy: 1.6802469705168546
Energy: 1.3831742981521147
Energy: 1.3801341899139214
Energy: 1.3900222347588005
Energy: 1.3826946545544758
Energy: 1.3998884597761847
Energy: 1.499777094186993
Energy: 1.6912233539082377
Energy: 1.3828872240160883
Energy: 1.841605571624632
Energy: 1.3317049143980908
Energy: 1.3717001510198938
Energy: 1.815280541967999
Energy: 1.382889402140669
Energy: 1.83957309776592
Energy: 1.3811424875121527
Energy: 1.3867744293705282
Energy: 1.386948531577945
Energy: 1.3976272847378712
Energy: 1.4739139111815245
Energy: 1.4061020484534648
Energy: 1.7683064141500155
Energy: 1.3815806871412515
Energy: 1.40161013246411
Energy: 1.3909882868764378
Energy: 1.340868588087954
Energy: 1.808832197134687
Energy: 1.4083955934728005
Energy: 1.8109149145411503
Energy: 1.3807353894017325
Energy: 1.4141275501183657
Energy: 1.4014152534631943
Energy: 1.3810455357342035
Energy: 1.8097575588621522
Energy: 1.3840052126518492
Energy: 1.8524774606409746
Energy: 1.3814303557200538
Energy: 1.3792368660985872
Energy: 1.3880174400447818
Energy: 1.399002159572485
Energy: 1.4747082633072275
Energy: 1.4998822988263008
Energy: 1.690921043382438
Energy: 1.3813008022291766
Energy: 1.7170777220564917
Energy: 1.8510289814543155
Energy: 1.3715128036221373
Energy: 1.7818762166796258
Energy: 1.3912665890539917
Energy: 1.6786796120724712
Energy: 1.3817484691646638
Energy: 1.388453443949312
Energy: 1.3904613122196081
Energy: 1.3819929590158175
Energy: 1.4935447570804092
Energy: 1.4059577392010438
Energy: 1.8113261241758767
Energy: 1.3806110082010783
Energy: 1.400572183216579
Energy: 1.4147188725136637
Energy: 1.380049904970497
Energy: 1.8102860701494898
Energy: 1.4025589809376116
Energy: 1.809797112731501
Energy: 1.3812664820981764
Energy: 1.401692303037309
Energy: 1.3213646221056197
Energy: 1.3417702024889147
Energy: 1.8084570704879497
Energy: 1.382383149536149
Energy: 1.8395019483556612
Energy: 1.381232462247844
Energy: 1.386282868546826
Energy: 1.3865257640719642
Energy: 1.3970519040815135
Energy: 1.4742879657467818
Energy: 1.5003736222090385
Energy: 1.796895357734538
Energy: 1.3730320754708751
Energy: 1.3235907106444258
Energy: 1.3322998617371455
Energy: 1.3402989141401673
Energy: 1.7070820297167932
Energy: 1.3936485626340047
Energy: 1.6827247666214775
Energy: 1.3839163546256554
Energy: 1.3907422926543713
Energy: 1.3912115898235835
Energy: 1.383937652627493
Energy: 1.395992028675646
Energy: 1.3476215644180554
Energy: 1.6812727867050894
Energy: 1.3846215161139392
Energy: 1.3894393747480938
Energy: 1.3869957389437177
Energy: 1.384652877139477
Energy: 1.4003254939431065
Energy: 1.4946877121179334
Energy: 1.7896698580154495
Energy: 1.3416786620976828
Energy: 1.3228544014870138
Energy: 1.3232267735588166
Energy: 1.3410205385844718
Energy: 1.7671920521849585
Energy: 1.3824341003095744
Energy: 1.8393478662661387
Energy: 1.3819696663061245
Energy: 1.3861266940405965
Energy: 1.3861998174148509
Energy: 1.3970502947461299
Energy: 1.474387895470666
Energy: 1.4078666002289544
Energy: 1.8303413492219964
Energy: 1.3428344763948257
Energy: 1.3218649276687333
Energy: 1.3333868418025359
Energy: 1.3427009390421718
Energy: 1.8085983785937632

minimum gb energy = 1.3213646221056197 eV
minimum distance =  2.430725813612 Angstroms
sigma value = 23