Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371600866318
cohesive_energy=5.770453839330309
mass=63.546
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=[3.11370211404828e-19, 4.1219358480581393e-19, 4.877778696913979e-19, 5.491364282436959e-19, 6.0086750740228795e-19, 6.454272439470959e-19, 6.84310468677642e-19, 7.185185419901759e-19, 7.48759625956926e-19, 7.755592345138439e-19, 7.993211161726979e-19, 8.20365706260288e-19, 8.389509552146879e-19, 8.5528995252822e-19, 8.69562141983892e-19, 8.819165260086658e-19, 8.9248448308653e-19, 9.01381369935132e-19, 9.08703317152512e-19, 9.145384444535399e-19, 9.18965258493282e-19, 9.22052652867e-19, 9.2386311246342e-19, 9.24455917818e-19, 9.23816649341034e-19, 9.21738626246736e-19, 9.17955887213862e-19, 9.121447925623439e-19, 9.0391601337012e-19, 8.9280491841333e-19, 8.7824113281027e-19, 8.595325162550519e-19, 8.358283129550219e-19, 8.060774950382759e-19, 7.68971084194836e-19, 7.228716559047539e-19, 6.657108001335359e-19, 5.94843323258448e-19, 5.06871008638776e-19, 3.97360633528242e-19, 2.60475468449184e-19, 8.840153773992059e-20, -1.2944786114403e-19, -4.07710694583882e-19, -7.66979578638774e-19, -1.236923620217118e-18, -1.86137676984852e-18, -2.7071017278717598e-18, -3.8795265233339396e-18, -5.552391190426019e-18, -8.027609894058959e-18, -1.1865816282002038e-17, -1.82013674328936e-17, -2.9612389855568397e-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: 0.02321289028686357
Energy: 0.024322293609921497
Energy: 1.929951642128686
Energy: 1.2720269076448738
Energy: 1.2732527536248697
Energy: 1.2575376838948626
Energy: 0.02374501194345814
Energy: 0.5873393992603787
Energy: 1.23579969532543
Energy: 0.7905737766342523
Energy: 0.8437854660094422
Energy: 0.8449214957589236
Energy: 0.024580939717624647
Energy: 0.12169520023788562
Energy: 0.7985605789405845
Energy: 1.2758774753762265
Energy: 1.6111677762393013
Energy: 1.1255566557853567
Energy: 1.0606635523084864
Energy: 1.021262340358172
Energy: 0.12300050725702776
Energy: 0.026486376680798503
Energy: 0.8467165232290227
Energy: 1.9323454179732693
Energy: 1.2756151546470813
Energy: 1.274081886486003
Energy: 1.2588363215049803
Energy: 0.024220889750849257
Energy: 0.3910110318476674
Energy: 1.2414687372555426
Energy: 0.7901445048013858
Energy: 0.8439378508575228
Energy: 0.8435287304806224
Energy: 0.024193682811185845
Energy: 0.39368406085758556
Energy: 0.02347439218364646
Energy: 1.1252913534114701
Energy: 1.6116599330648103
Energy: 1.124387460241609
Energy: 1.0606668184674048
Energy: 1.0210559110951607
Energy: 0.12312260747146243

minimum gb energy = 0.02321289028686357 eV
minimum distance =  2.74530877143621 Angstroms
sigma value = 5


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

Energy: 1.7697268164649875
Energy: 2.123013926178739
Energy: 1.9644069898206409
Energy: 2.0555304540723065
Energy: 2.077539647849405
Energy: 1.9836916657056634
Energy: 2.1062144320312646
Energy: 1.7250104839339067
Energy: 2.050885371876071
Energy: 2.0591244129931994
Energy: 2.1790517871664994
Energy: 2.1590835168025513
Energy: 2.0790107134489917
Energy: 2.056977207490162
Energy: 1.794338043546045
Energy: 2.0173141226215607
Energy: 1.7552240628161013
Energy: 2.050458915495504
Energy: 2.125610265258811
Energy: 1.8003187010760542
Energy: 2.081101100420958
Energy: 1.8806342184360778
Energy: 2.111846095550928
Energy: 1.8617758458227434
Energy: 1.9627995891629182
Energy: 1.9939343439658137
Energy: 1.9137954926862053
Energy: 2.083015957552143
Energy: 1.8208210380587786
Energy: 2.2001029986632563
Energy: 1.8345278899072484
Energy: 1.9775274717073048
Energy: 1.9408074569643214
Energy: 1.8809291704748452
Energy: 2.218002403717069
Energy: 2.0342163775101363
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Energy: 1.9629522417655565
Energy: 2.007313327824379
Energy: 2.01076291118384
Energy: 2.012902436225351
Energy: 2.115233407000044
Energy: 1.8499691498775
Energy: 2.106545442242322
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Energy: 1.971123279953379
Energy: 1.9485977475664071
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Energy: 2.1378355124192354
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Energy: 2.0333920108352337
Energy: 1.8983483021399026
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Energy: 1.981904615060366
Energy: 1.939254351331266
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Energy: 1.862799485831362
Energy: 2.072085569824787
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Energy: 2.107664421460753
Energy: 1.8582256400865549
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Energy: 2.069709030226556
Energy: 2.0748948885563796
Energy: 2.136293612944585
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Energy: 1.9681888716770157
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Energy: 2.0389106902264014
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Energy: 1.8272510870283833
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Energy: 1.8525869471693446
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Energy: 1.6640919349425076
Energy: 2.0815401984454067
Energy: 1.8427355565805958
Energy: 1.9760881102135393
Energy: 1.9429913373924756
Energy: 1.8872675332376014
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Energy: 2.1045191889178443
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Energy: 1.884921189341695
Energy: 1.9223645760220693
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Energy: 2.1219510004514577
Energy: 1.9724180256489157
Energy: 2.0996805995491687
Energy: 1.9835784293345924
Energy: 1.932086598198157
Energy: 1.970605436152891
Energy: 2.0142140699867213
Energy: 2.093514666266519
Energy: 1.8006596473178422
Energy: 2.2589063327801937
Energy: 1.8484298916729278
Energy: 1.9288986569250965
Energy: 1.8934102504997266
Energy: 1.870555353590724
Energy: 2.018703453805768
Energy: 1.8571708648230716
Energy: 2.0618087046989895
Energy: 2.0052861281950047
Energy: 2.0382295397700054
Energy: 1.9829532195883863
Energy: 1.949592071481979
Energy: 2.0732055822092077
Energy: 1.728478344638569
Energy: 1.9862142548693897
Energy: 1.8914958746818238
Energy: 2.101906601183917
Energy: 2.105288034375238
Energy: 1.8118262405474115
Energy: 2.0081207288079685
Energy: 1.6478824354115207
Energy: 1.9878887184428786
Energy: 1.9607134639966595
Energy: 2.1803779896836524
Energy: 2.065116786761744
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Energy: 1.9881448340039949
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Energy: 1.9814002398229125
Energy: 2.0771862823130594
Energy: 2.045446895081963
Energy: 1.971731521326387
Energy: 2.0646799234065702

minimum gb energy = 1.5933576178637079 eV
minimum distance =  2.41106349793682 Angstroms
sigma value = 401


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

Energy: 1.6407334334227963
Energy: 1.8792843862538644
Energy: 1.8091889054632273
Energy: 2.2477899277059143
Energy: 1.972222993517529
Energy: 1.8991082185621022
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Energy: 1.6635184608320361
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Energy: 1.5723058065225843
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Energy: 2.058656304786157
Energy: 2.199711170447543
Energy: 2.2104413357032224
Energy: 1.9444929741987547
Energy: 1.851973996528056
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Energy: 1.9177157802330174
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Energy: 2.0789674678737096
Energy: 1.7883827707432665
Energy: 1.8806219574629464
Energy: 1.6853945502388112
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Energy: 1.8411908874343386
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Energy: 1.5560041386052172
Energy: 1.8509897979848022
Energy: 1.9396582155010935
Energy: 1.9439475930772911
Energy: 2.3126618681787816
Energy: 1.7956118592233956
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Energy: 1.5907389211920369
Energy: 1.6691803738906716
Energy: 2.0147875907833814
Energy: 1.911827955741736
Energy: 2.3016911156648274
Energy: 1.8295412753474563
Energy: 1.9866011706594413
Energy: 1.6530798263152968
Energy: 1.8189890967428533
Energy: 1.8711363828996106
Energy: 1.8681941741575394
Energy: 2.2646606594349437
Energy: 1.859668305535715
Energy: 1.9175152774967807
Energy: 1.72457588334207
Energy: 1.8157744077084923
Energy: 1.9149801884923836
Energy: 1.822703842840522
Energy: 2.2294799960081892
Energy: 1.5804324988849479
Energy: 2.067836243850386
Energy: 2.0747204194447324
Energy: 2.121562855690447
Energy: 2.107075980775893
Energy: 1.9268718655136499
Energy: 1.9998903103044368
Energy: 1.6583084455901893
Energy: 1.8441894492279838
Energy: 1.8155776801331154
Energy: 2.4097638151788083
Energy: 1.9830755504575426
Energy: 1.7309960787980638
Energy: 1.7869371597044332
Energy: 1.572719760547825
Energy: 1.8693764973701494
Energy: 2.144168536538042
Energy: 2.2708305947627094
Energy: 2.1384873636127257
Energy: 1.9546016985862058
Energy: 1.852616227234774
Energy: 1.6339505277221988
Energy: 1.976791179338842
Energy: 1.9451015141379515
Energy: 2.199289681353179
Energy: 2.2024345433637613
Energy: 1.9354291184846013
Energy: 1.8567484440540558
Energy: 1.6837379976682718
Energy: 1.9913699949572814
Energy: 1.7827639520425989
Energy: 2.07178002185819
Energy: 2.052022711104578
Energy: 1.9596988925351868
Energy: 1.8061699994120903
Energy: 1.6783529195338787
Energy: 2.145997374614055
Energy: 1.746549826310183
Energy: 1.8377446196975056
Energy: 1.9246672930817847
Energy: 1.9051252328773085
Energy: 2.0474367839640246
Energy: 1.694789529044324
Energy: 2.1575911399971677
Energy: 1.565009604182291
Energy: 1.865305385669664
Energy: 1.9848035940996598
Energy: 1.9399522031408813
Energy: 2.3264500366197174
Energy: 1.794596626111745
Energy: 2.183133949766569
Energy: 1.5883650119740165
Energy: 1.7442776280178371
Energy: 1.9849282832095558
Energy: 1.9007240177084064
Energy: 2.375337039181722
Energy: 2.063271472721913
Energy: 2.021098526681225
Energy: 1.6458891689731496
Energy: 1.7923976945883555
Energy: 1.8718248616687014
Energy: 1.8707759873277559
Energy: 2.189657177867428
Energy: 1.8369147573098883
Energy: 2.0123144680901754
Energy: 1.7221010693892065
Energy: 1.809008408475071
Energy: 1.8562116184515665
Energy: 1.8236048950361299
Energy: 2.3322071383658765
Energy: 1.589302357218095
Energy: 1.9749821911579586
Energy: 1.8248898710540906
Energy: 2.046987703006529
Energy: 2.036146604048735
Energy: 2.055907737854174
Energy: 2.011392307658036
Energy: 1.6522620164199522
Energy: 1.832617278650548
Energy: 1.891032157710981
Energy: 2.2552751710970913
Energy: 2.0271039927045384
Energy: 1.8622845467132227
Energy: 1.8035144610881706
Energy: 1.5610753855263342
Energy: 2.020685705660058
Energy: 2.1294561216985364
Energy: 2.3844975067467673
Energy: 2.2905395644843844
Energy: 1.8440175973347304
Energy: 1.7558645435190459

minimum gb energy = 1.5560041386052172 eV
minimum distance =  2.46604103081697 Angstroms
sigma value = 311


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

Energy: 1.805851474964537
Energy: 2.1040869187718183
Energy: 1.807950474555309
Energy: 2.0555944748904182
Energy: 1.855014752131118
Energy: 1.7975959892572195
Energy: 1.9628030195994295
Energy: 1.620634715994163
Energy: 2.007382774265753
Energy: 1.774454792283484
Energy: 2.0682851703686205
Energy: 1.9582011298193325
Energy: 1.970850350716832
Energy: 2.0194933170338616
Energy: 1.8260505337758401
Energy: 1.9816742190908867
Energy: 1.8528456108795694
Energy: 1.9276083711954162
Energy: 1.9977063183437667
Energy: 1.8786661861470675
Energy: 2.0478940129554806
Energy: 1.7126449298339088
Energy: 2.0834000283268206
Energy: 1.7320557069064728
Energy: 2.1050459943547697
Energy: 2.0237735367135805
Energy: 1.7445988366370304
Energy: 1.9594335011306925
Energy: 1.769327447182019
Energy: 2.0939271995279842
Energy: 1.803608074240309
Energy: 1.9029673128325433
Energy: 1.8791993116834085
Energy: 1.8290293588879671
Energy: 2.1192297413531804
Energy: 1.837620511848243
Energy: 2.1570910054507557
Energy: 1.8255347193523215
Energy: 2.1470874737168453
Energy: 2.1297467171345246
Energy: 1.8635533379440483
Energy: 2.1710874778500258
Energy: 1.7383918858746499
Energy: 2.0989748369719123
Energy: 1.784883543097806
Energy: 1.9834284382568568
Energy: 1.9632315994728942
Energy: 1.7569711680764128
Energy: 1.95718451902383
Energy: 1.7748902684318744
Energy: 1.9518731894565606
Energy: 1.8042173946009195
Energy: 1.982555239804973
Energy: 1.9352701018921614
Energy: 1.9878143243250592
Energy: 2.1115182347871984
Energy: 1.74081462929343
Energy: 1.982498827457368
Energy: 1.870879789038073
Energy: 2.0282814599019194
Energy: 2.0396775702139736
Energy: 1.8279164764918254
Energy: 2.088875955157534
Energy: 1.7152885279701704
Energy: 2.095363015266652
Energy: 1.7215673688747621
Energy: 2.1065299640678528
Energy: 2.105001622106468
Energy: 1.7582695215504098
Energy: 2.01970000666397
Energy: 1.7767914410442536
Energy: 2.0382044902250214
Energy: 1.8171351634121207
Energy: 1.8874456696495057
Energy: 1.9856743417627498
Energy: 1.7669223703896515
Energy: 2.108427641194521
Energy: 1.8187206011617443
Energy: 2.0334728578758
Energy: 1.8260821782282448
Energy: 2.245945387958168
Energy: 2.062900903540366
Energy: 1.9862443825385354
Energy: 2.1170210199148833
Energy: 1.7379716151892095
Energy: 2.1643991726487104
Energy: 1.7389994711592103
Energy: 1.8161184121876457
Energy: 1.979958173892319
Energy: 1.75960754093936
Energy: 1.9512553911384782
Energy: 1.7029309775135784
Energy: 1.9433706201920828
Energy: 1.8578898551839542
Energy: 1.997532508854315
Energy: 1.915943360461971
Energy: 1.8821680488978816
Energy: 2.0097263313216374
Energy: 1.7082978786663894
Energy: 2.0469262245910858
Energy: 1.732438670608907
Energy: 1.9924353091616456
Energy: 1.965359094729511
Energy: 1.922044956798936
Energy: 1.9951218006306024
Energy: 1.7365383700598007
Energy: 2.1141678263143158
Energy: 1.8368730069487926
Energy: 2.0980915693328734
Energy: 2.092741347823195
Energy: 1.9910692189655101
Energy: 2.087873783279603
Energy: 1.7841823890838977
Energy: 2.0294477893696277
Energy: 1.8217030305304713
Energy: 1.9074682589154082
Energy: 1.9529867710998285
Energy: 1.7756846885892086
Energy: 2.1086907038636427
Energy: 1.9602343364805854
Energy: 2.0156699559132925
Energy: 1.9435311634370191
Energy: 2.1802620048419454
Energy: 2.010153342786125
Energy: 2.016508896065939
Energy: 2.088741858590432
Energy: 1.7327500617322584
Energy: 2.137755803531044
Energy: 1.7467064622124895
Energy: 1.865596890848984
Energy: 1.9460965333544835
Energy: 1.7740517759649568
Energy: 2.0497737439218118
Energy: 1.731686568503213
Energy: 1.9305265259471551
Energy: 1.8774097896677955
Energy: 1.9361476549596968
Energy: 1.9239779217903121
Energy: 1.853143800877404
Energy: 2.0176082009288447
Energy: 1.6887698888791562
Energy: 2.0659177787398906
Energy: 1.7563333501686313
Energy: 2.0782495708131457
Energy: 1.945036521566302
Energy: 1.7447154993534473
Energy: 2.0336687192823857
Energy: 1.7216703854051614
Energy: 2.0898045044190305
Energy: 1.8415936620523432
Energy: 2.13141477794279
Energy: 2.03683870638851
Energy: 2.047799654149541
Energy: 2.0798409767834256
Energy: 1.7852057988935275
Energy: 2.11832256215568
Energy: 1.8610144446863928
Energy: 1.9085612339025289
Energy: 1.9494664305784457
Energy: 1.801330655885513
Energy: 2.125607924695398
Energy: 1.8068459298606374
Energy: 2.050338191924116
Energy: 1.9498685198404915
Energy: 2.0771717394576332
Energy: 1.9053156330584704
Energy: 2.0067208008278197
Energy: 2.1054473603245913
Energy: 1.7511494313949711
Energy: 1.9969905199249938
Energy: 1.7902668298216093
Energy: 1.8741651342135823
Energy: 1.9092115066178954
Energy: 1.830316247774416
Energy: 2.1134301575922416
Energy: 1.72803739599114
Energy: 1.8970282184250191
Energy: 1.834031329640914
Energy: 1.9388698957991337
Energy: 1.9193043817005904
Energy: 1.8160144012069492
Energy: 2.0115501311613118
Energy: 1.7060460716434969
Energy: 1.9819004261292612
Energy: 1.7140481575815154
Energy: 2.097460887431918
Energy: 1.9742805870543259
Energy: 1.7846239250781748
Energy: 2.0021684099155235
Energy: 1.8616662530498667
Energy: 2.1390192500742224
Energy: 1.7167947033019673
Energy: 2.1726601766378955
Energy: 1.9723620261110393
Energy: 2.004704448187866
Energy: 2.086861595107518
Energy: 1.7907943268096296
Energy: 2.0382443513649062
Energy: 1.8606140435752803
Energy: 1.9020257815166415
Energy: 1.9924041187119927
Energy: 1.8286139112436253
Energy: 2.139272030439708
Energy: 1.8052757581644026
Energy: 2.0100974562698224
Energy: 1.7903284476884314
Energy: 2.012241188550869
Energy: 1.8546723296714822
Energy: 1.860951175266959
Energy: 2.0569990276940087
Energy: 1.7528479331943232
Energy: 1.982667437482236
Energy: 1.9113201507122752
Energy: 1.8249150459387233
Energy: 2.0634909423703993
Energy: 1.9244461707862184
Energy: 2.123262897833822
Energy: 1.6868784870409146
Energy: 1.8961819558085597
Energy: 1.838621077232436
Energy: 1.9467727788118736
Energy: 1.9154243588606075
Energy: 1.7730503283173837
Energy: 1.9947243968776731
Energy: 1.6683787002329582
Energy: 1.9934730785024635
Energy: 1.7504661938078476
Energy: 2.079484083082851
Energy: 2.0044127819741773
Energy: 1.8114909367375684
Energy: 1.9606071693426466
Energy: 1.731482978089455
Energy: 2.084020213621135
Energy: 1.7989774775455873
Energy: 2.201137441854464
Energy: 2.0931855359582565
Energy: 1.9281669735783322
Energy: 2.1605720489497173
Energy: 1.7801654223568137
Energy: 2.034182401725037
Energy: 1.875677060896369
Energy: 1.9073081890745507
Energy: 1.9180993597657465
Energy: 1.8864385359097642
Energy: 2.1729866145227867
Energy: 1.7952991409857157
Energy: 2.1130486525175685
Energy: 1.8081251057887462
Energy: 1.982824153987312
Energy: 1.9510515082434907
Energy: 1.8393969021773893
Energy: 1.9818156368834134

minimum gb energy = 1.620634715994163 eV
minimum distance =  2.41107176617054 Angstroms
sigma value = 39


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

Energy: 1.5741061318227891
Energy: 1.7563558459833164
Energy: 2.0449118301842772
Energy: 1.9876514085468195
Energy: 2.110177273381795
Energy: 1.9434284102600536
Energy: 1.6940205003648747
Energy: 1.512301599052372
Energy: 2.0325384926440067
Energy: 1.7618063474513725
Energy: 1.8746784691926022
Energy: 1.7147908687509337
Energy: 1.7472802618401622
Energy: 2.134833170089049
Energy: 2.4211917607088953
Energy: 2.12067187135215
Energy: 1.626083108912193
Energy: 1.7576871990974483
Energy: 1.5925535637109116
Energy: 1.6126641505043218
Energy: 2.0517471288999287
Energy: 1.639130585986136
Energy: 1.9501352947909059
Energy: 1.6714898915751577
Energy: 1.7922460937954212
Energy: 1.852357471752648
Energy: 1.7675165507946609
Energy: 2.0250356087015313
Energy: 1.6755447775050583
Energy: 1.573362544181051
Energy: 1.684131984988974
Energy: 1.7281910809090297
Energy: 2.04732646305228
Energy: 1.9009925968455017
Energy: 1.7229534260264368
Energy: 1.8449894238706646
Energy: 1.7304598880604327
Energy: 1.598246043840239
Energy: 2.177260896128947
Energy: 1.5678943264167249
Energy: 2.0840232793734113
Energy: 2.12564192261304
Energy: 1.8720313023792148
Energy: 2.301543007649516
Energy: 2.0866849487506247
Energy: 1.8646801551481758
Energy: 1.7314859118097867
Energy: 1.5549303921204363
Energy: 2.226313512553985
Energy: 1.5374709873457297
Energy: 2.110271848290315
Energy: 1.9856409771011336
Energy: 2.0655886710472613
Energy: 2.067410759654604
Energy: 2.014183497574838
Energy: 1.8786927731616307
Energy: 1.5380206990199217
Energy: 2.205772615286271
Energy: 1.968003668598615
Energy: 2.207678974742978
Energy: 1.8527115096056586
Energy: 1.8527099496082595
Energy: 2.130413416744553
Energy: 1.8801791705310962
Energy: 2.363323776317048
Energy: 1.7663779433716875
Energy: 1.7715243945238264
Energy: 1.6660418772963692
Energy: 1.6721760241799843
Energy: 2.091267518201702
Energy: 1.8056364845694333
Energy: 2.028344016725125
Energy: 1.6183188934348236
Energy: 1.8031210263456965
Energy: 1.9933798885232346
Energy: 1.7275959971892905
Energy: 2.3045593983179753
Energy: 1.7268579810570075
Energy: 1.8282666354800903
Energy: 1.6100271114073998
Energy: 1.7521376210720243
Energy: 1.9814606004042215
Energy: 1.8546600327595721
Energy: 1.8619600199333266
Energy: 1.5057345742002126
Energy: 1.5869720552798625
Energy: 1.795357660857861
Energy: 1.837552428002498
Energy: 2.130385102459895
Energy: 1.9721610199870239
Energy: 1.9822487739131744
Energy: 1.86821577481038
Energy: 2.0303240388733585
Energy: 1.9479482969963353
Energy: 1.81851789041868
Energy: 1.6646010170319923
Energy: 1.681874805731552
Energy: 2.1114223352982657
Energy: 1.513815006804341
Energy: 1.9799803741718698
Energy: 1.7380350947882186
Energy: 1.9202119523719232
Energy: 1.7983019695316411
Energy: 1.5402354184813072
Energy: 2.1360779683208984
Energy: 1.5653480886564217
Energy: 1.9085252571929394
Energy: 1.9780076240001443
Energy: 1.7694919791310901
Energy: 2.058795761222489
Energy: 1.9283750244765596
Energy: 1.6734735426634775
Energy: 1.6663018311248683
Energy: 2.0365819516376678
Energy: 1.7588141070358259
Energy: 1.8742135931042647
Energy: 1.7148057605330298
Energy: 1.748155151149877
Energy: 2.1350175830324325
Energy: 2.419898223742591
Energy: 1.8450345109636077
Energy: 1.6252535178462757
Energy: 1.7374647492402242
Energy: 1.5928396159893845
Energy: 1.6035287823726987
Energy: 2.0520570413423376
Energy: 1.6380669959080467
Energy: 1.9498331346854982
Energy: 1.671639298943241
Energy: 1.7924074284636782
Energy: 1.8531695776013528
Energy: 1.7681784294827412
Energy: 2.0233450409341907
Energy: 1.5819600288324034
Energy: 1.570514291623272
Energy: 1.6846702103565303
Energy: 1.7289623008193522
Energy: 2.048960445143816
Energy: 1.8968482879450472
Energy: 1.723192203337168
Energy: 1.6885313768437378
Energy: 1.8839977186349242
Energy: 1.5986394330506766
Energy: 2.1773119121040145
Energy: 1.7751495827452852
Energy: 1.585373124604757
Energy: 1.841281810920833
Energy: 1.870855418707655
Energy: 2.3011499510891857
Energy: 2.0870230613487677
Energy: 1.8656559994039021
Energy: 1.783391477241172
Energy: 1.5498241034043843
Energy: 2.226529199695122
Energy: 1.5370545088936098
Energy: 2.1095380296583444
Energy: 1.9869134786907166
Energy: 2.2029090023309568
Energy: 2.0667535947994495
Energy: 2.0136179706380353
Energy: 1.9732908977797043
Energy: 1.5130978260423933
Energy: 2.2051565947474905
Energy: 1.9690202361790068
Energy: 1.9412996470650503
Energy: 1.85243030783266
Energy: 1.8579328541623292
Energy: 2.1300004459657207
Energy: 1.8808294299799926
Energy: 2.4149657430010585
Energy: 1.7092158280633
Energy: 1.6893717411842866
Energy: 1.6664331520237585
Energy: 1.6747401370526924
Energy: 2.090521953544775
Energy: 1.5595921366231613
Energy: 1.74161209632578
Energy: 1.6147141513893135
Energy: 1.9663324898990329
Energy: 1.678303071343445
Energy: 1.7072858445718233
Energy: 2.3298379980444697
Energy: 1.57079960855934
Energy: 1.828011820598753
Energy: 1.9088809608002597
Energy: 1.7490108839543341
Energy: 1.9819823760011837
Energy: 1.8519882373627052
Energy: 2.0638783256662374
Energy: 1.5273285721740981
Energy: 1.590729724968793
Energy: 1.7961428697422173
Energy: 1.8374525064906138
Energy: 2.0129820685136424
Energy: 1.9360362106027766
Energy: 1.9719142401182954
Energy: 1.8674967573575858
Energy: 2.029883796324398
Energy: 1.9485299446062618
Energy: 1.8181256050690284
Energy: 1.7408272338962547
Energy: 1.682685987908021
Energy: 2.167498423633106
Energy: 1.5147561560170022
Energy: 1.9797155450252257
Energy: 1.7860369067337012
Energy: 1.7938922335287153
Energy: 1.7983117688553614
Energy: 1.540570585900528
Energy: 2.1354929979586155

minimum gb energy = 1.5057345742002126 eV
minimum distance =  2.47940208945791 Angstroms
sigma value = 21


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

Energy: 1.997153884160934
Energy: 2.127096335874988
Energy: 1.9363677390456295
Energy: 2.161075614974182
Energy: 1.9674621169724593
Energy: 1.8529887600395831
Energy: 2.084898103478622
Energy: 1.9058597887131505
Energy: 2.1225517331921173
Energy: 2.1215344742382607
Energy: 2.0875130434454654
Energy: 2.077426823869538
Energy: 1.9497006181693437
Energy: 2.2758620036241215
Energy: 2.05775681628891
Energy: 2.128267013255714
Energy: 1.8654343921316103
Energy: 1.9569641711255688
Energy: 1.9654003266941524
Energy: 1.8823862398258036
Energy: 2.191018413834921
Energy: 1.88682883651475
Energy: 2.100886623411927
Energy: 1.794244740045379
Energy: 1.934073101845771
Energy: 1.920486554459767
Energy: 1.7848047450292641
Energy: 2.130829405953836
Energy: 1.7360723067187216
Energy: 1.7902718271323979
Energy: 1.937039477448411
Energy: 2.0691779443062344
Energy: 2.16531965093075
Energy: 2.0618296838816943
Energy: 1.945280679191616
Energy: 1.574784215379735
Energy: 1.768293660148162
Energy: 1.897464919083971
Energy: 2.179853994961933
Energy: 1.9990846745163031
Energy: 2.031350350036732
Energy: 2.0952914042156947
Energy: 1.992992849084492
Energy: 2.222149223816572
Energy: 1.7668719057491937
Energy: 1.7728196122250095
Energy: 1.6551703058253235
Energy: 1.6021469323622706
Energy: 2.045291560527637
Energy: 1.839613858996332
Energy: 1.8642331246101853
Energy: 1.8323877734097032
Energy: 2.023247915237445
Energy: 1.8507357857122329
Energy: 1.7514105363138728
Energy: 2.2014987008119338
Energy: 1.7309551323029904
Energy: 2.0806314643848185
Energy: 1.9630970446798521
Energy: 2.037913810672864
Energy: 2.18094467822812
Energy: 2.179924081587936
Energy: 2.1407243050696643
Energy: 1.9008089198981815
Energy: 2.002165934152925
Energy: 1.7119677517602794
Energy: 2.029471468148377
Energy: 1.9618555509231523
Energy: 1.9680434095831727
Energy: 2.0390093693605094
Energy: 1.969551087395689
Energy: 2.169390163211054
Energy: 1.8894825040103096
Energy: 2.263427857485823
Energy: 2.071107819323263
Energy: 1.9918077528884472
Energy: 2.206984215433087
Energy: 1.8809919629784362
Energy: 2.3571071311479366
Energy: 2.2075447105692163
Energy: 2.2015520751049227
Energy: 1.9726951718773513
Energy: 2.071037602620597
Energy: 2.222644821881873
Energy: 1.9272278556806848
Energy: 2.1823029492674206
Energy: 2.018113073240316
Energy: 1.9899968809990805
Energy: 1.9533912820346777
Energy: 1.908488368136519
Energy: 2.0004625428597738
Energy: 1.9377306236834078
Energy: 2.0429617484109333
Energy: 2.16526000299884
Energy: 2.0589246276730666
Energy: 1.9822759474043896
Energy: 2.0711030727390796
Energy: 2.1414031804140436
Energy: 1.9302813028699985
Energy: 2.390490117628615
Energy: 1.6747277944442824
Energy: 1.97689161035062
Energy: 1.9631246918774519
Energy: 1.9396852586530062
Energy: 2.2256077309149758
Energy: 2.192955899161764
Energy: 2.048123480118759
Energy: 1.7404417527364908
Energy: 2.1150147688998144
Energy: 1.8806139121081902
Energy: 2.0264137531030806
Energy: 2.1108676999836393
Energy: 1.7686319712006864
Energy: 2.074505827669237
Energy: 1.8386337629688632
Energy: 1.9298239786639764
Energy: 2.060236987040505
Energy: 1.9276601362716834
Energy: 1.938464450353058
Energy: 1.5121020463797177
Energy: 1.7751285991443368
Energy: 1.9983506553464836
Energy: 2.2809210726839018
Energy: 2.249992165933418
Energy: 2.0954569920194297
Energy: 2.079095183215364
Energy: 1.5734110599411006
Energy: 2.2103658990255277
Energy: 1.967386650888218
Energy: 1.8977073414673293
Energy: 1.6340471201277225
Energy: 1.6943709820162842
Energy: 1.8425289822395323
Energy: 2.0180217940039435
Energy: 2.0695721185293854
Energy: 1.8820943161756758
Energy: 1.7630329231272888
Energy: 1.8147139899721347
Energy: 1.7863116668290084
Energy: 2.0217915471838843
Energy: 1.6842775643145527
Energy: 2.134526134575059
Energy: 1.900907781904826
Energy: 2.037938064475974
Energy: 2.1323594408440436
Energy: 2.028426459390876
Energy: 2.0783379663021684
Energy: 1.9669684570276902
Energy: 2.0374512023909115
Energy: 1.7213593996039995
Energy: 1.9426171345098973
Energy: 2.1470286098030402
Energy: 2.0196812471172216
Energy: 2.030067484484656
Energy: 1.964112967305434
Energy: 2.0310509577062463
Energy: 2.0588943527860355
Energy: 2.1429514673465584
Energy: 1.8825045897388804
Energy: 2.195613674320539
Energy: 2.114703899917289
Energy: 1.8585830377368144
Energy: 2.335798422205645
Energy: 2.086429811640835
Energy: 2.2151117879291293
Energy: 2.014364999602606
Energy: 2.046577022689214
Energy: 2.403247189245452
Energy: 1.8996279327798082
Energy: 2.0445019385737035
Energy: 2.220845931856595
Energy: 2.2663378929873987
Energy: 1.8779944693486597
Energy: 2.1609678005456034
Energy: 2.1055962239914607

minimum gb energy = 1.5121020463797177 eV
minimum distance =  2.44694274402076 Angstroms
sigma value = 113


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

Energy: 1.9138243267027664
Energy: 2.116467271201052
Energy: 1.9267507506658983
Energy: 2.088229168680415
Energy: 2.0858003279265307
Energy: 1.9419148813652398
Energy: 2.1062604462906274
Energy: 2.029852448206687
Energy: 2.260227439138324
Energy: 2.079668838055094
Energy: 2.1048568931690563
Energy: 2.20173088095554
Energy: 2.095554646503243
Energy: 2.325217863931777
Energy: 2.0659569219672136
Energy: 2.138969251791788
Energy: 1.9153334652399197
Energy: 1.9777373103148157
Energy: 1.9354907125492369
Energy: 1.8967717088733709
Energy: 2.1822981696009354
Energy: 1.8896113465639743
Energy: 2.2302337038966265
Energy: 1.8827240133662706
Energy: 1.9807628057253588
Energy: 1.9562658469166414
Energy: 1.8825678893487525
Energy: 2.167124415068909
Energy: 1.8168041724893673
Energy: 2.0403867158447238
Energy: 2.0508951912671822
Energy: 2.1143656845793513
Energy: 2.2454639147431017
Energy: 2.080397936756744
Energy: 2.0475177564551226
Energy: 1.7508098462026276
Energy: 2.0001311256147285
Energy: 1.879808667059511
Energy: 2.0553910802960673
Energy: 1.9200947308917575
Energy: 1.8930461500331734
Energy: 2.017395926050356
Energy: 1.96097372172459
Energy: 2.2504317930298328
Energy: 2.013444296739255
Energy: 1.9561098936109378
Energy: 1.8883958453609557
Energy: 1.9530150070496497
Energy: 2.0047293187802424
Energy: 2.0147235949533773
Energy: 1.9943214481990243
Energy: 1.9523834489566587
Energy: 2.0191646316901743
Energy: 1.9415201596952891
Energy: 1.9234176327894157
Energy: 2.1476222907062277
Energy: 1.888647725383785
Energy: 2.1422183735951963
Energy: 1.8975512561963295
Energy: 2.0213293117504474
Energy: 1.932625535613498
Energy: 1.8986060473917725
Energy: 2.0971689419936443
Energy: 1.8215966700755613
Energy: 1.982806846489521
Energy: 1.9352603661193382
Energy: 2.1325892954374375
Energy: 2.091534187182812
Energy: 2.0999789669966655
Energy: 1.9504269955491809
Energy: 1.8499493484718277
Energy: 1.9543592809436925
Energy: 2.001744013604091
Energy: 2.078929424427865
Energy: 2.0318249124518175
Energy: 1.9868339667258537
Energy: 2.1447824661276105
Energy: 2.021313377084183
Energy: 2.261448899083405
Energy: 1.9094452184311028
Energy: 1.9652013087408984
Energy: 1.9156987526005056
Energy: 1.841893069342747
Energy: 2.158789664493037
Energy: 2.0163422583082165
Energy: 2.2717035877813374
Energy: 1.8740972481377247
Energy: 2.019831195500979
Energy: 1.9372131426973977
Energy: 1.8422509476679698
Energy: 2.174473218587551
Energy: 1.8866637681000618
Energy: 2.101645889604106
Energy: 2.038451341375256
Energy: 2.003587632005167
Energy: 2.098469140388351
Energy: 2.126593658070743
Energy: 2.076934945414911
Energy: 1.825341845935137
Energy: 1.9906622874225142
Energy: 1.8213533241582842
Energy: 2.0601270138457233
Energy: 2.0044179834993647
Energy: 1.986703595616274
Energy: 2.0614601411845173
Energy: 1.7975150342066708
Energy: 2.1065964917132516
Energy: 2.0400021825138754
Energy: 2.1136768915575685
Energy: 2.020895292057842
Energy: 2.0224472363480697
Energy: 2.0407716333245536
Energy: 2.0267982771325714
Energy: 2.272658090334153
Energy: 1.9835561961994463
Energy: 1.9600351551925579
Energy: 1.8663235116809245
Energy: 1.848286537534438
Energy: 2.195745527355239
Energy: 1.8894002743517804
Energy: 2.0728085375946876
Energy: 1.892994020972327
Energy: 1.9842967067520652
Energy: 1.8599902510798973
Energy: 1.8674885670928785
Energy: 2.037156062253723
Energy: 1.9874548522834143
Energy: 2.1480170621356973
Energy: 1.9876535172293157
Energy: 2.05580774568828
Energy: 2.1073659044954636
Energy: 2.1537577543019455
Energy: 2.160914881055353
Energy: 1.9466996555381408
Energy: 2.1387215356035068
Energy: 1.8629121845012053
Energy: 2.0193618349124076
Energy: 2.07215643719462
Energy: 2.0031819865315965
Energy: 2.2619811433508814
Energy: 1.9961814348465856
Energy: 2.21080736990256
Energy: 1.9939557522036933
Energy: 2.1047028727659747
Energy: 2.0805487741220277
Energy: 1.9482513067784712
Energy: 2.254208782219126
Energy: 2.051225448115864
Energy: 2.2911342565890953
Energy: 2.061753752642634
Energy: 2.2612173658545016
Energy: 2.1007808056371347
Energy: 1.9066129308176265
Energy: 2.3217950312855473
Energy: 1.9643069093193144
Energy: 2.278643814359767
Energy: 1.9202918777696953
Energy: 2.097350653810397
Energy: 2.078042568597196
Energy: 1.923425051294099
Energy: 2.22221523526308
Energy: 2.0438525539476986
Energy: 2.2388920729648354
Energy: 2.0696901570575514
Energy: 2.039482198081025
Energy: 2.1993597303792907
Energy: 2.104045918621349
Energy: 2.285700480601858
Energy: 1.9795746991570928
Energy: 2.102707788430678
Energy: 1.9005560489541928
Energy: 1.9769489406398115
Energy: 1.8984506680740163
Energy: 1.91051021993436
Energy: 2.210245306482949
Energy: 2.026010359565655
Energy: 2.2322265646137014
Energy: 1.8888416999618953
Energy: 1.9570460196620239
Energy: 1.9535719911642713
Energy: 1.8822049208290859
Energy: 2.16827084252561
Energy: 1.813996841964769
Energy: 2.111108687983274
Energy: 2.041974414778783
Energy: 2.097431262868592
Energy: 2.1223084609158867
Energy: 2.099192742388433
Energy: 2.040322438288983
Energy: 1.7881573307398333
Energy: 1.977581424586331
Energy: 1.8743102423299296
Energy: 2.051539782605984
Energy: 1.9317736804532373
Energy: 1.884820369429677
Energy: 2.0179777695811123
Energy: 1.9554926115879094
Energy: 2.2521744284363034
Energy: 2.064910512352288
Energy: 2.01459971282579
Energy: 2.0042274334343073
Energy: 2.026506690172404
Energy: 2.1296894567428306
Energy: 2.0763339095882634
Energy: 1.9927395333481006
Energy: 1.8572044306832438
Energy: 1.9847499810530782
Energy: 1.9218866306640876
Energy: 1.8707915715886143
Energy: 2.137460139938202
Energy: 1.9849718051611902
Energy: 2.125670464878326
Energy: 1.887632199809565
Energy: 2.0549241782863774
Energy: 1.9309862124512494
Energy: 1.9065742560399408
Energy: 2.1038391783189456
Energy: 1.8800028493229748
Energy: 1.9837654394816377
Energy: 1.93701147011555
Energy: 2.133142231915343
Energy: 2.0815269176655296
Energy: 2.070559266410506
Energy: 1.9040536013660765
Energy: 1.84906154027818
Energy: 1.9866852502029524
Energy: 2.002492368315522
Energy: 2.143359065245705
Energy: 2.051233790024923
Energy: 1.9920529374170215
Energy: 2.1511421477718464
Energy: 1.9976879164601722
Energy: 2.265971932760112
Energy: 1.9113173377561181
Energy: 1.9577934531456385
Energy: 1.8539166734470152
Energy: 1.843249042008522
Energy: 2.1549562974452487
Energy: 2.02497046710492
Energy: 2.0992886148045056
Energy: 1.8793220865445357
Energy: 2.0356112309328864
Energy: 1.9553753478115854
Energy: 1.9149416139357671
Energy: 2.0311609260938046
Energy: 1.8862266936479661
Energy: 2.113088860378771
Energy: 1.9971637139698457
Energy: 2.035450169820127
Energy: 2.1930337015203114
Energy: 2.055666266507063
Energy: 2.113404315638968
Energy: 1.8201889283025203
Energy: 1.9634655322564103
Energy: 1.8232344358141606
Energy: 2.0155280470751427
Energy: 1.9813604255779296
Energy: 1.9847489965931242
Energy: 2.059690788890632
Energy: 1.7625727369386324
Energy: 1.988889659473235
Energy: 2.062172047929155
Energy: 2.130054267675046
Energy: 2.0633671050050033
Energy: 2.033345856695792
Energy: 2.057021204683255
Energy: 2.016627400062799
Energy: 2.278666806269868
Energy: 1.9936598587052716
Energy: 2.001206787254882
Energy: 1.8662384166713806
Energy: 1.772248668182817
Energy: 2.194266931338177
Energy: 1.8951881365832188
Energy: 2.1071851164096813
Energy: 1.93164339838183
Energy: 2.017004120110809
Energy: 2.024298584050151
Energy: 1.8820311117121524
Energy: 2.043324130256263
Energy: 1.97052392757771
Energy: 2.152332066325679
Energy: 1.9935227851865567
Energy: 2.0383556960726703
Energy: 2.106436882065358
Energy: 2.1367686485825077
Energy: 2.199676160091689
Energy: 1.9553026215192044
Energy: 2.1944064558176124
Energy: 1.8678498486835287
Energy: 2.0205686031671584
Energy: 2.054426183168314
Energy: 1.983041484164769
Energy: 2.1988352511546365
Energy: 2.0046554454936323
Energy: 2.2352156725983234
Energy: 1.9939750549856066
Energy: 2.2379553505664687
Energy: 2.0351549307176215
Energy: 1.936538078750022
Energy: 2.2760828976897276
Energy: 2.046360464885636
Energy: 2.323572500418943
Energy: 2.0413493290924296
Energy: 2.1107227951256626
Energy: 2.06038014290582
Energy: 1.9035200193407202
Energy: 2.2798734461761274
Energy: 1.9356760484426458
Energy: 2.2875204198153227
Energy: 1.9405422011567743
Energy: 2.100970786938547
Energy: 2.0458678465523157
Energy: 1.9726947697359052
Energy: 2.2128833901864757

minimum gb energy = 1.7508098462026276 eV
minimum distance =  2.40335273391647 Angstroms
sigma value = 365


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

Energy: 1.6072779516722961
Energy: 1.610847271924672
Energy: 1.5712054503391613
Energy: 1.5893418783960347
Energy: 1.5897335673568103
Energy: 1.6141637739080223
Energy: 1.6101315146948083
Energy: 1.7473887320054782
Energy: 1.9873473779608424
Energy: 1.5360372250924852
Energy: 1.645950587575215
Energy: 1.5111946832165646
Energy: 1.5361764137116045
Energy: 1.9877143783214628
Energy: 1.6129050429809444
Energy: 1.7794839465376207
Energy: 1.5352560072238557
Energy: 1.5781835538727902
Energy: 1.578501955279362
Energy: 1.5343887900762798
Energy: 1.6008774651832405
Energy: 1.5728108610281228
Energy: 1.7822385538795518
Energy: 1.6062486114082328
Energy: 1.611906026323214
Energy: 1.593922461566192
Energy: 1.6061597298809296
Energy: 1.615756220326077
Energy: 1.7498314083060387
Energy: 1.985859179315336
Energy: 1.6100676745270774
Energy: 1.9821096014972757
Energy: 1.6477978526126962
Energy: 1.609180560354286
Energy: 1.9896925811315636
Energy: 1.6059642874994666
Energy: 1.8969420149388685
Energy: 1.6040735601331038
Energy: 1.5899339383156472
Energy: 1.590255473719518
Energy: 1.6153106269913224
Energy: 1.6106257293638118
Energy: 1.6107241496724887
Energy: 1.9846148912030355
Energy: 1.5358592132666593
Energy: 1.5135317131340222
Energy: 1.5113939693991774
Energy: 1.535568489527475
Energy: 1.9856241983579772
Energy: 1.6137274438000893
Energy: 2.090150960857049
Energy: 1.5352427067710384
Energy: 1.511315490113921
Energy: 1.5107513714355845
Energy: 1.534347442208117
Energy: 1.98449190138526
Energy: 1.5748366280119428
Energy: 1.7818002165339264
Energy: 1.6044612464127783
Energy: 1.6107968197336986
Energy: 1.5913651944591942
Energy: 1.6042611344844777
Energy: 1.6160982100483394
Energy: 1.7495337244336455
Energy: 1.982991310449651
Energy: 1.6099309132445265
Energy: 1.981641639185534
Energy: 2.0631191813476826
Energy: 1.6087134194392623
Energy: 1.9873558850035085
Energy: 1.5734860765877787
Energy: 1.7817263690656946
Energy: 1.604822239018264
Energy: 1.5921944621181514
Energy: 1.5916161477825077
Energy: 1.604942561224368
Energy: 1.616037772895828
Energy: 1.6143666344260146
Energy: 2.1428109392371955
Energy: 1.5346336651490655
Energy: 1.5777322973895311
Energy: 1.5109956997981455
Energy: 1.5342583540276564
Energy: 1.985122992074089
Energy: 1.6108746739231385
Energy: 1.986692229852708
Energy: 1.5367030980831506
Energy: 1.5125243931275807
Energy: 1.5109876287311046
Energy: 1.5355523770392976
Energy: 1.9853996936959049
Energy: 1.605471978685926
Energy: 1.7798082315942396
Energy: 1.5718883118253653
Energy: 1.6099638410734862
Energy: 1.5896120409376897
Energy: 1.614512125204257
Energy: 1.6104387453013855
Energy: 1.7503524856851536
Energy: 1.9857808145643
Energy: 1.6104576135236515
Energy: 1.646772009071807
Energy: 1.5124578864156553
Energy: 1.5100712580555793
Energy: 1.9892156529204925
Energy: 1.6137139150540651
Energy: 1.7827003746876313
Energy: 1.535012597654912
Energy: 1.5782586829140057
Energy: 1.5942517317844127
Energy: 1.6073369768334134
Energy: 1.5999084234691012
Energy: 1.6135081619059168
Energy: 1.7827976099809808
Energy: 1.5353505518276513
Energy: 1.5781200342772301
Energy: 1.5948118013336403
Energy: 1.5342836250093828
Energy: 1.6167397995608752
Energy: 1.750810976093533
Energy: 1.9880735936798628
Energy: 1.535567765393481
Energy: 1.5129362719341375
Energy: 1.512369908261632
Energy: 1.5356833548451034
Energy: 1.9856725521090042
Energy: 1.605232647434857
Energy: 2.310237810156516
Energy: 1.5713301295122453
Energy: 1.5896919733702297
Energy: 1.5896014531498046
Energy: 1.6142966766932336
Energy: 1.6104839131483577
Energy: 1.6105309903409915
Energy: 1.982797138757472
Energy: 1.5367285561727078
Energy: 1.6456970420068613
Energy: 1.5120856924543584
Energy: 1.5355052828495623
Energy: 1.9856187880737317

minimum gb energy = 1.5100712580555793 eV
minimum distance =  2.45450882202886 Angstroms
sigma value = 23