Model name: model_name=MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322999238968
cohesive_energy=4.225801906650114
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 3.1107861525744e-19, 3.7156078319094e-19, 4.17195580257162e-19, 4.55479590926592e-19, 4.8827134009467e-19, 5.16706770994902e-19, 5.4154371317517e-19, 5.63323702337766e-19, 5.8244728264119e-19, 5.9922207199917e-19, 6.138932034367079e-19, 6.2665934685642e-19, 6.376839242749739e-19, 6.471047228828939e-19, 6.550387015744619e-19, 6.61588399654254e-19, 6.668387324838719e-19, 6.70866604541748e-19, 6.737425115997779e-19, 6.7552573419342e-19, 6.7627074632823e-19, 6.762723485048639e-19, 6.769949301667979e-19, 6.75839760813684e-19, 6.725937509532e-19, 6.6767667086345385e-19, 6.610212291258179e-19, 6.523101947667599e-19, 6.41162249747388e-19, 6.27111160667208e-19, 6.09594563527686e-19, 5.879203180229339e-19, 5.61237668360298e-19, 5.284939844912399e-19, 4.8836747069271e-19, 4.39203078501786e-19, 3.78887536938222e-19, 3.04714769667192e-19, 2.1316799897706597e-19, 9.96319948559436e-20, -4.2045600970735195e-20, -2.2017271522091395e-19, -4.46191772979294e-19, -7.361280653744699e-19, -1.1129696227510739e-18, -1.6105079524967998e-18, -2.27999348078004e-18, -3.20180580715194e-18, -4.50773998152534e-18, -6.42517691179752e-18, -9.373085787759479e-18, -1.419188836277592e-17, -2.2771896716705398e-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: 0.020499017944220346
Energy: -0.04546326673663225
Energy: -0.18695194677160556
Energy: 0.4879644371435632
Energy: 0.5034560378902826
Energy: 0.29728687006175747
Energy: -0.038454291426429935
Energy: 0.047729380383002666
Energy: 0.1315452350386281
Energy: -0.11597176167909554
Energy: 0.8851740952891256
Energy: 0.25598423184645314
Energy: -0.022657620018401756
Energy: -0.056334388315372415
Energy: 0.06302010118344711
Energy: 0.17272485195514958
Energy: -0.19125531567310525
Energy: 0.7586003470854216
Energy: 0.1931484876164312
Energy: -0.10867233906599676
Energy: -0.1083418522438096
Energy: 0.018992258693099683
Energy: 0.095906093658512
Energy: -0.07772571360886639
Energy: 0.26670817110513145
Energy: 0.6404871587281474
Energy: 0.03332011153304702
Energy: -0.038920607231813655
Energy: -0.020813782976112197
Energy: 0.14719410503108094
Energy: -0.16138399612717702
Energy: -0.08813955305921269
Energy: 0.20186841522275076
Energy: -0.03674547008821004
Energy: -0.1159086985186224
Energy: 0.06649779620408103
Energy: 0.10446167432659917
Energy: 0.4242987717063224
Energy: 1.1090934679818694
Energy: 0.2020488174161677
Energy: 0.07074207115922562
Energy: -0.1164680086449979

minimum gb energy = -0.19125531567310525 eV
minimum distance =  2.48384303087499 Angstroms
sigma value = 5


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

Energy: 0.8554222892220004
Energy: 0.9463296496734125
Energy: 0.8562560347665188
Energy: 1.167621087647011
Energy: 1.0181744300474176
Energy: 0.9166028757570621
Energy: 0.9494230887181933
Energy: 0.8643267671129389
Energy: 0.880911081296443
Energy: 0.8517363912145247
Energy: 0.9281236551446201
Energy: 0.869652460825376
Energy: 0.7051380589728878
Energy: 0.7938087215456273
Energy: 0.7357578907920008
Energy: 0.6637017117556708
Energy: 0.7758448669691188
Energy: 0.6892839614442875
Energy: 0.7657980131057559
Energy: 0.7349042104170326
Energy: 0.7584925735874118
Energy: 0.7072796902716764
Energy: 1.0382103479842895
Energy: 0.8634956468627426
Energy: 0.9252845162696759
Energy: 0.8985825102802574
Energy: 0.989592908875785
Energy: 0.8368209211684497
Energy: 1.1327657173869352
Energy: 0.7140859770688918
Energy: 0.8597980634085227
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Energy: 0.8159054880258102
Energy: 1.012738237867665
Energy: 0.8256705809877147
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Energy: 0.6848533169770711
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Energy: 0.7162849709463764
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Energy: 0.8244375591662536
Energy: 0.8206483290382022
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Energy: 0.9727696531363063
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Energy: 0.9251384105548159
Energy: 0.8251201489471214
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Energy: 0.798171163402072
Energy: 0.8603154734053987
Energy: 0.9053629461276083
Energy: 0.9364576946522809
Energy: 0.767611597630391
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Energy: 0.8849999712842177
Energy: 0.7889398940351762
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Energy: 0.7969618372566513
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Energy: 0.9532902128013954
Energy: 0.7399281639397364
Energy: 1.2841288023996036
Energy: 0.753594541421003
Energy: 0.8070889108139893
Energy: 0.7940201956321202
Energy: 0.7006921020889256
Energy: 0.8391997922301476
Energy: 0.8476954533198882
Energy: 0.8367931232585668
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Energy: 0.8825542362459293
Energy: 0.7900313956392274
Energy: 0.7187066245065791
Energy: 0.8515896484897217
Energy: 0.8355653608419638
Energy: 1.200431067567753
Energy: 0.7247850878748241
Energy: 0.7940976012719245
Energy: 0.8525661305612344
Energy: 0.8028174538714199
Energy: 0.8933894315093538
Energy: 0.880755681706233
Energy: 0.8581095650954104
Energy: 0.8138226223534509
Energy: 0.7138537324199128
Energy: 0.7456456015664402
Energy: 0.786368641439258
Energy: 0.7794805357593358
Energy: 0.8104689116766777
Energy: 0.6571853984689993
Energy: 0.7648827593767397
Energy: 0.7706213342881472
Energy: 0.6736981083928927
Energy: 0.8237826462642757
Energy: 0.7792206551569703
Energy: 0.7203195588984515
Energy: 0.9155009045827851
Energy: 0.9276245241531185
Energy: 0.7667584579686236
Energy: 0.92473085469984
Energy: 0.9836359494828426
Energy: 0.7166040148701854
Energy: 0.8416848521221341
Energy: 0.9806671068836395
Energy: 0.884297718527101
Energy: 0.959728056195694
Energy: 0.8838593777470133
Energy: 1.0201679886526651
Energy: 0.8188590669483856
Energy: 0.7502382950308347

minimum gb energy = 0.6291926268611556 eV
minimum distance =  2.24560451339183 Angstroms
sigma value = 401


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

Energy: 1.0595272822506026
Energy: 1.0237863516336783
Energy: 0.721610971809625
Energy: 0.7442230311877053
Energy: 1.365922941432573
Energy: 0.8835293874359089
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Energy: 0.7110470306268293
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Energy: 0.9984215437385052
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Energy: 0.7290788893738575
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Energy: 0.9300461030682255
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Energy: 0.8061089002763768
Energy: 0.7155433866692608
Energy: 0.8173563965954033
Energy: 1.2050033139646765
Energy: 0.8892924206375684
Energy: 0.8712570036699445
Energy: 0.8052175611110612
Energy: 0.7791382033293928
Energy: 0.917542234653697
Energy: 0.7863094836586498
Energy: 1.1010142616882819
Energy: 0.8199927666030915
Energy: 0.8429509770524903
Energy: 0.8386780757964081
Energy: 0.7599096994287032
Energy: 0.7930001735125346
Energy: 0.9183201875500977
Energy: 1.0587232730616989
Energy: 0.6985945413842489
Energy: 1.0513076838521624
Energy: 0.7894364273451869
Energy: 0.7855122163573817
Energy: 0.7333452592535035
Energy: 0.6575296067261693
Energy: 0.9196186197903531
Energy: 0.804933941819014
Energy: 0.7584149918144898
Energy: 1.0039959760344537
Energy: 0.8591290296996212
Energy: 0.8003373943314208
Energy: 0.8056098374391178
Energy: 1.0258828532459436
Energy: 0.8909266430542717
Energy: 0.7119568448360784
Energy: 0.7707726262957408
Energy: 1.0405275236219012
Energy: 0.8202868528091944
Energy: 0.9145762823039669
Energy: 0.9217740953854513
Energy: 0.8217331267111644
Energy: 0.6741693299722649
Energy: 0.6613858155443005
Energy: 1.0886903715405976
Energy: 0.7034530916808404
Energy: 0.8419151533773491
Energy: 0.9202044651793274
Energy: 0.9984688863663853
Energy: 0.7016721228745461
Energy: 0.861507312337403
Energy: 0.7525529879869064
Energy: 0.6506579538999167
Energy: 0.7939301202043618
Energy: 0.9168901004060028
Energy: 0.9576208888104446
Energy: 0.8123817183634714
Energy: 0.8456944303275714
Energy: 0.8891884571535779
Energy: 0.8494883075175254
Energy: 0.9128578863466226
Energy: 0.8172505985192204
Energy: 0.7592343195241054
Energy: 0.8945500489511363
Energy: 0.8925799032607796
Energy: 0.7508235843372908
Energy: 0.8777021213770813
Energy: 0.8944482272078423
Energy: 0.8430594307939924
Energy: 0.743357870036364
Energy: 0.8031583985396313
Energy: 0.7753777839522688
Energy: 0.7164103690590894
Energy: 0.9116157683734867
Energy: 0.8525323286845804
Energy: 0.8834566583834023
Energy: 0.956619998534317
Energy: 0.9768135408408258
Energy: 0.8718073486998246
Energy: 0.8030617282723791
Energy: 1.1740868838890433
Energy: 0.9023808943467259
Energy: 1.1680626592185994
Energy: 0.8486867895919293
Energy: 0.8074680766877259
Energy: 0.7974796740162171
Energy: 0.7700285978606072
Energy: 0.8014550344413952
Energy: 0.8256959041431622
Energy: 0.7928987567773441
Energy: 0.7883655800272573
Energy: 1.0533788986226065
Energy: 0.804005217382645
Energy: 0.7793982643724622
Energy: 1.159942569562024
Energy: 0.8509802436467734
Energy: 0.8800421610148137
Energy: 0.6778888100704584
Energy: 0.7673076658012926
Energy: 0.7833505268765634
Energy: 0.9168785285459667
Energy: 0.9769676540495085
Energy: 0.920758362741774
Energy: 0.9625924484350477
Energy: 0.8394243135748145
Energy: 0.7242797995413418
Energy: 0.8726298447930992
Energy: 1.1497362124114494
Energy: 0.7084035540036936
Energy: 0.8904388884324397
Energy: 0.9539424982573622
Energy: 0.7150238443232623
Energy: 0.6764826209758653
Energy: 0.7181976475295936
Energy: 0.6860725076189066
Energy: 0.7660795139844901
Energy: 0.7622847886540207

minimum gb energy = 0.6431679421223855 eV
minimum distance =  2.28213094564589 Angstroms
sigma value = 311


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

Energy: 0.8711137930026239
Energy: 0.7681288411965808
Energy: 1.137982936345295
Energy: 0.9173954729498803
Energy: 0.9208787134492862
Energy: 0.7520337635789797
Energy: 0.8671908023772966
Energy: 1.0684938873011351
Energy: 0.8373919482381007
Energy: 0.9690731832852704
Energy: 0.9671146918338834
Energy: 0.933192350014727
Energy: 0.8723904545787977
Energy: 0.9244476164552053
Energy: 0.9756846858679721
Energy: 0.8914382153857244
Energy: 0.9426810054437974
Energy: 0.8896062986682538
Energy: 0.8665550155601478
Energy: 1.0203242222399087
Energy: 0.8029444897056234
Energy: 0.8346811066079685
Energy: 0.8475084948453674
Energy: 1.0749510898447956
Energy: 0.8302281012396356
Energy: 0.8577227448277691
Energy: 0.8428925445301425
Energy: 0.8870488380800639
Energy: 0.9558908773153643
Energy: 0.8254248186501673
Energy: 0.8351443495523486
Energy: 0.8164503960797801
Energy: 0.8260040483579826
Energy: 0.9809098875986084
Energy: 0.8660261153128337
Energy: 0.8957104614563464
Energy: 0.8691000248537863
Energy: 0.7545330641430021
Energy: 0.740307912570606
Energy: 0.8244942767191612
Energy: 0.78492241216809
Energy: 0.8351652619528306
Energy: 0.835213586212748
Energy: 0.8990134466233303
Energy: 1.0747129276928715
Energy: 1.0041544142487884
Energy: 0.8486663665471856
Energy: 0.8361295624819325
Energy: 0.8414611730536261
Energy: 0.994792324948009
Energy: 0.8926925304205742
Energy: 0.9570132289616549
Energy: 0.9735599739189238
Energy: 0.871694383265809
Energy: 1.0080442753836953
Energy: 0.9201154260043528
Energy: 1.0341395741882484
Energy: 0.8431601690914551
Energy: 0.7943861986331329
Energy: 0.8439556708719979
Energy: 0.9037891216202886
Energy: 0.9972347388104147
Energy: 0.793455945827846
Energy: 1.005895209637231
Energy: 0.8703415485285905
Energy: 1.0086835720825813
Energy: 0.7401398025368034
Energy: 0.9190243513864185
Energy: 0.9304858609303069
Energy: 0.873174229116958
Energy: 1.000122227928188
Energy: 0.7323566614323268
Energy: 0.8733702706434955
Energy: 0.9156620693986215
Energy: 0.8745030806650405
Energy: 0.9221599391410169
Energy: 0.826415357915405
Energy: 0.8501930920220794
Energy: 0.7374316334919218
Energy: 0.7195867983863876
Energy: 0.69506917496385
Energy: 0.8709875562600923
Energy: 0.8439469667068622
Energy: 0.7743262664757115
Energy: 0.8913413940333174
Energy: 0.8115144254474156
Energy: 1.0467925535772533
Energy: 0.8233024547650764
Energy: 0.817979844243012
Energy: 0.8210113703362527
Energy: 0.9347577449909756
Energy: 1.040064821592819
Energy: 0.857885466941889
Energy: 1.0446247766326935
Energy: 0.9766433646683099
Energy: 0.8475514125018482
Energy: 0.9583948589565424
Energy: 0.806846220726874
Energy: 0.9750996739228872
Energy: 0.8733044656279687
Energy: 1.0524833506421514
Energy: 0.8646273317949773
Energy: 0.8463859523215603
Energy: 0.9959987420326498
Energy: 0.8467027373772015
Energy: 0.8712413815944077
Energy: 0.8499511999207388
Energy: 0.8869555934028189
Energy: 0.7890350581966787
Energy: 0.873869954108589
Energy: 0.8363707508922007
Energy: 0.9241786186301526
Energy: 1.0573668259382982
Energy: 0.8426274527771643
Energy: 1.170598506664085
Energy: 0.9432032833932358
Energy: 0.866986632884473
Energy: 0.9987966557242832
Energy: 0.856622614578208
Energy: 0.7337498659508386
Energy: 0.807433287773598
Energy: 0.9474903297616423
Energy: 0.66110710754736
Energy: 0.7986063053201042
Energy: 0.750480516664347
Energy: 0.7367243647684567
Energy: 0.8607580121608256
Energy: 0.9448359933534088
Energy: 1.1938939622627254
Energy: 0.8073789066731641
Energy: 0.8636296419673766
Energy: 0.8598156032623573
Energy: 0.8367223666363675
Energy: 0.8925389430046343
Energy: 0.910951181796979
Energy: 1.058535289805227
Energy: 0.890945575834455
Energy: 0.9652216098563009
Energy: 1.0300356113212965
Energy: 0.9070866428873678
Energy: 0.8400792276785056
Energy: 0.8997289962749682
Energy: 0.9331225593720714
Energy: 0.8056064893095634
Energy: 0.9234101600797716
Energy: 0.8893042602569918
Energy: 0.78304972251616
Energy: 1.000979789263127
Energy: 0.8256065608462811
Energy: 0.8914692383894952
Energy: 0.7293405646827161
Energy: 0.8419438212033797
Energy: 0.7542529964730165
Energy: 0.7371491548648919
Energy: 0.9655338969757775
Energy: 0.8825685411022209
Energy: 0.981239111008269
Energy: 1.1387306111031628
Energy: 0.7720809635360676
Energy: 1.1370742337011364
Energy: 0.9056649965377463
Energy: 0.9833925999555464
Energy: 0.7832844076460337
Energy: 0.8007736747436182
Energy: 0.7183915297700186
Energy: 0.856473236043002
Energy: 0.6797175840967092
Energy: 0.8638655729325058
Energy: 1.0543857267180468
Energy: 0.9076574154239114
Energy: 0.750035497488049
Energy: 0.8784114572386567
Energy: 0.8477666322929271
Energy: 0.84145112043311
Energy: 0.8616351594504111
Energy: 0.9701917726556846
Energy: 1.0181322831549107
Energy: 1.0527014605116851
Energy: 0.9288977227731566
Energy: 0.8804352243749279
Energy: 1.047866059945928
Energy: 0.9563386315465099
Energy: 1.0660710085117255
Energy: 0.821979250771018
Energy: 0.9435849892483225
Energy: 0.8692600852850455
Energy: 0.8451423655875833
Energy: 0.8889731687928603
Energy: 0.8111357988109619
Energy: 0.9132715203129145
Energy: 0.7621577356346195
Energy: 0.8556346481482852
Energy: 0.6613648549428492
Energy: 0.8600199105037616
Energy: 0.824385740271557
Energy: 0.7754458205728181
Energy: 0.8933728852892188
Energy: 0.8663393341598244
Energy: 0.9578240736571717
Energy: 1.045677972663658
Energy: 0.9285145797953936
Energy: 1.0080051002279191
Energy: 0.8752721843443462
Energy: 0.9186305619220624
Energy: 0.9117109903466247
Energy: 1.0708747052781264
Energy: 0.7041321950239382
Energy: 0.9041374574079669
Energy: 0.834652841625794
Energy: 0.9321509591943563
Energy: 0.8954087248349722
Energy: 0.870725789317434
Energy: 0.8550848225385486
Energy: 0.8836552711915988
Energy: 0.7653245081297467
Energy: 0.968223389760477
Energy: 0.8845710144175398
Energy: 0.9746667827463774
Energy: 1.0701389702580635
Energy: 1.0406967701276335
Energy: 0.9609228186276506
Energy: 0.885641488638233
Energy: 0.9826637676526608
Energy: 0.9844496309862076
Energy: 0.8316893607887293
Energy: 0.8622803734305372
Energy: 0.9773195810648247
Energy: 0.8585070628252337
Energy: 0.8132511869130441
Energy: 0.917515861845693
Energy: 0.8051726332437772
Energy: 0.8471979777737527
Energy: 0.7668131199843419
Energy: 0.8976979350200441
Energy: 0.7069617316648882
Energy: 0.8152346836511702
Energy: 0.8011414682594709
Energy: 0.8839941648189499
Energy: 1.0716755157562512
Energy: 0.8080759988241399
Energy: 0.9504723563966584
Energy: 1.1517200554873126
Energy: 0.8809408629199316
Energy: 1.0667931486702522
Energy: 0.8489629893941631
Energy: 0.929795709817477
Energy: 0.8397054688861193
Energy: 1.0634587000883364
Energy: 0.6943077478681887
Energy: 0.8103461274513539
Energy: 0.8529930910483893
Energy: 0.8926541232197702

minimum gb energy = 0.66110710754736 eV
minimum distance =  2.26209656707836 Angstroms
sigma value = 39


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

Energy: 0.8802396602745282
Energy: 0.9330130686519701
Energy: 1.296518657606128
Energy: 1.0331483957579821
Energy: 0.7261510171629941
Energy: 0.9472191039379722
Energy: 0.9493337764762082
Energy: 0.8872469024625528
Energy: 0.7943215114284106
Energy: 0.6947765605403747
Energy: 0.7378247974874346
Energy: 0.9242973509318776
Energy: 1.0943082373501751
Energy: 1.0126410222412232
Energy: 1.2207529116274154
Energy: 0.719878262094929
Energy: 0.9648072183251788
Energy: 0.9789248795959358
Energy: 0.90653961929788
Energy: 1.0096697393941112
Energy: 1.1742309275411051
Energy: 1.0147477695014149
Energy: 0.7982149846423523
Energy: 0.6336193060736783
Energy: 0.7902823736207408
Energy: 0.8711002672522445
Energy: 0.8044388183963663
Energy: 1.2463701968820355
Energy: 0.9355086622156977
Energy: 0.9700030865901863
Energy: 0.7595181901239859
Energy: 0.8658907192131245
Energy: 0.7954684650939791
Energy: 1.0884867271442054
Energy: 0.9448454635556942
Energy: 0.895235650061288
Energy: 0.7874977544712942
Energy: 0.8204732180331706
Energy: 0.8444439160261015
Energy: 0.9162340610083393
Energy: 0.9308156056507876
Energy: 0.8960100408343623
Energy: 1.270610047541976
Energy: 0.6553519777394905
Energy: 0.8265697802569414
Energy: 1.3459955168970532
Energy: 0.8931446716410905
Energy: 0.8862274266847766
Energy: 1.1328988280672512
Energy: 0.9019996612556148
Energy: 0.9289818404983171
Energy: 1.076564644838989
Energy: 0.5856956467937262
Energy: 0.878405157651197
Energy: 0.7836353766871578
Energy: 1.1279002083339031
Energy: 0.9046575004398999
Energy: 0.9261431442229463
Energy: 1.025983071944744
Energy: 0.65247887118731
Energy: 0.8048482450910284
Energy: 0.6841970026153306
Energy: 1.1296795865967975
Energy: 0.7475080431285984
Energy: 0.7148772568880014
Energy: 0.870809817190325
Energy: 0.8605859067287055
Energy: 0.9546274632936074
Energy: 1.0018268601366045
Energy: 1.1886263270669108
Energy: 1.033083011899771
Energy: 0.9156631725994282
Energy: 0.7439516679520983
Energy: 0.5652536288676825
Energy: 0.9367187987086052
Energy: 1.039457972902729
Energy: 1.164648056666273
Energy: 1.022928040125353
Energy: 0.9674719586000402
Energy: 0.543512068458807
Energy: 0.7155200703472828
Energy: 0.6957796090074179
Energy: 1.287607422452841
Energy: 1.0514437634404916
Energy: 0.896345375882191
Energy: 0.9803540401454287
Energy: 0.9339404431759547
Energy: 0.7365808598448021
Energy: 0.7772481979315623
Energy: 0.6913162276285194
Energy: 1.1378561235868208
Energy: 1.3093151340783922
Energy: 0.7604880490967645
Energy: 0.8316221757799941
Energy: 0.7084319105105417
Energy: 0.8893604933769214
Energy: 0.8941723030489835
Energy: 1.0354812896491001
Energy: 0.8932314761243878
Energy: 0.8040041166482754
Energy: 0.8807668654204338
Energy: 1.0422947520954309
Energy: 0.9120133358373494
Energy: 0.8893475543961604
Energy: 0.8997584465433857
Energy: 0.8814783533382767
Energy: 0.9451658389602193
Energy: 1.2990439892630539
Energy: 0.7309988472652783
Energy: 0.7009122723024083
Energy: 0.9488269347403291
Energy: 0.9463076212292001
Energy: 0.9116039720545839
Energy: 0.7386228760852154
Energy: 0.6995339441812289
Energy: 0.7342370976950512
Energy: 0.9480977054090889
Energy: 0.9465943249210206
Energy: 1.0147954458270814
Energy: 0.8388648054847081
Energy: 0.8188905363222367
Energy: 0.9919429643022332
Energy: 0.9094829465841957
Energy: 0.9083154417541806
Energy: 1.002455365508231
Energy: 0.8481897062047591
Energy: 0.6970021304431285
Energy: 0.8132203222979412
Energy: 0.631111235439349
Energy: 0.641702615740918
Energy: 0.9444996860351139
Energy: 0.700501821362546
Energy: 1.2460284386182467
Energy: 0.935918922461881
Energy: 0.9666214047451653
Energy: 0.7580053984157299
Energy: 0.8684876382744479
Energy: 0.765041129997103
Energy: 1.1323407806269103
Energy: 1.055016041297682
Energy: 0.9118438681804644
Energy: 0.794484680200486
Energy: 0.8218756724206421
Energy: 0.7975643101801876
Energy: 0.93089955362412
Energy: 0.8762985639610268
Energy: 0.8797302828758892
Energy: 1.0216583630548055
Energy: 0.894879907563758
Energy: 0.8145366352512723
Energy: 1.3473555071493566
Energy: 0.8979549443536978
Energy: 0.8905457841656396
Energy: 1.1346133962791038
Energy: 0.901486916245722
Energy: 0.9302387348593879
Energy: 1.0530352458744614
Energy: 0.5819555077303883
Energy: 0.9048507143923429
Energy: 0.7813928629741409
Energy: 1.1271511290964566
Energy: 0.9100885968682473
Energy: 0.9227791690965225
Energy: 0.9265331275030918
Energy: 0.6587230417565401
Energy: 0.775730190136751
Energy: 0.7779574035497633
Energy: 0.8942121708348546
Energy: 1.2438961348205289
Energy: 0.6252116450942197
Energy: 0.7263666540747244
Energy: 0.970280272746538
Energy: 0.9584046558425462
Energy: 1.0030423861325122
Energy: 1.147924321972059
Energy: 0.8040155539351215
Energy: 0.9198670903699971
Energy: 0.7520100883446191
Energy: 0.5556400695297105
Energy: 0.9344173029565824
Energy: 0.9205549491554608
Energy: 1.1030129209415338
Energy: 1.0196629401325639
Energy: 0.9597358454760375
Energy: 0.5555321308169843
Energy: 0.7273630780629533
Energy: 0.5680727959552917
Energy: 0.8725520740135913
Energy: 1.0313947927655107
Energy: 0.8980031367937188
Energy: 0.9554954993580547
Energy: 0.9401819314384918
Energy: 0.723261770397446
Energy: 0.929765692206715
Energy: 0.6866548384439244
Energy: 1.139343994353248
Energy: 0.9506381912937539
Energy: 0.6575974202185366
Energy: 0.8209921226141536
Energy: 0.7049269419997551
Energy: 0.9044870099035086
Energy: 0.8905829332156243
Energy: 1.0190380092498148
Energy: 0.8899548095252282
Energy: 0.8063005532484828
Energy: 0.703015356925995
Energy: 0.8660075229886267
Energy: 0.910111622813767
Energy: 0.8804168098743704
Energy: 0.8906144535887843

minimum gb energy = 0.543512068458807 eV
minimum distance =  2.25576664339092 Angstroms
sigma value = 21


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

Energy: 1.0816582629721876
Energy: 1.20242073796343
Energy: 1.2172111461248403
Energy: 1.242335488841997
Energy: 0.8213694192872917
Energy: 1.125971595331503
Energy: 1.1850878757669296
Energy: 1.197140721087606
Energy: 1.0092762096076904
Energy: 1.103158914259207
Energy: 0.9114028793516133
Energy: 0.8808561230518398
Energy: 1.1533810173971664
Energy: 0.7654381827560072
Energy: 1.1683365002590085
Energy: 0.9464250800321234
Energy: 0.7767783834762769
Energy: 0.8536554326501584
Energy: 1.0953210336676313
Energy: 0.8314684325099532
Energy: 0.9231207160137365
Energy: 0.9547017540712116
Energy: 0.9771596754822137
Energy: 1.0631359312099304
Energy: 0.7864666485494503
Energy: 0.9813747129020314
Energy: 1.0045091680648612
Energy: 0.9399876762134015
Energy: 0.816533224423394
Energy: 0.9421102758665427
Energy: 0.8482717603833618
Energy: 0.7513348720408777
Energy: 0.6059850405860039
Energy: 1.0750283423000717
Energy: 0.7831361799174618
Energy: 0.6727980214048409
Energy: 0.7858651162877939
Energy: 1.0939005807066122
Energy: 0.7933308090689213
Energy: 0.8228114983644104
Energy: 0.8437243013046463
Energy: 0.7455391263580811
Energy: 0.7893401001228915
Energy: 0.9502866448275185
Energy: 1.0099548616653415
Energy: 1.0689445967173294
Energy: 0.8453861416335612
Energy: 0.8283697629978704
Energy: 0.7425502945043772
Energy: 0.9990983308169025
Energy: 0.6142696423968941
Energy: 0.8156508339702285
Energy: 0.8112923238232703
Energy: 1.0145944066908446
Energy: 0.7615180655636918
Energy: 0.9169381511937786
Energy: 0.7906619460784301
Energy: 0.9006729233833779
Energy: 0.7376409065472076
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Energy: 0.8658242503002624
Energy: 1.0351340968193636
Energy: 0.786044429847481
Energy: 1.1954837502044544
Energy: 1.1691921625303103
Energy: 0.9971226534150811
Energy: 0.804242295465427
Energy: 0.8092683653430514
Energy: 0.8765527450007806
Energy: 1.1056608849148
Energy: 1.1611532353422922
Energy: 0.6726106325482107
Energy: 0.7300923823068257
Energy: 0.6923783282983864
Energy: 0.8901276709799356
Energy: 0.8982328093830596
Energy: 0.8131529098988356
Energy: 1.2052971814117996
Energy: 0.7982097173557265
Energy: 0.8442393237107876
Energy: 0.9930736425683344
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Energy: 1.1078991683235702
Energy: 0.9776826076449125
Energy: 0.9896503982561795
Energy: 0.8218521569991634
Energy: 1.1675067781983286
Energy: 0.9347223611488048
Energy: 0.913653851677676
Energy: 0.9152859549550637
Energy: 0.8892079064149934
Energy: 0.9561829988067558
Energy: 0.9822767515136112
Energy: 0.9267524363448447
Energy: 0.7566290588125422
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Energy: 1.081829603508451
Energy: 0.7758741207725678
Energy: 1.219825910473636
Energy: 0.7315289976480928
Energy: 0.9481759231691578
Energy: 1.001099100952751
Energy: 0.9711541617220932
Energy: 1.0764140275916894
Energy: 1.006814729837596
Energy: 0.9430060034909155
Energy: 0.8961500729302071
Energy: 0.9822028555198277
Energy: 1.0412379026451566
Energy: 0.9728417279539409
Energy: 0.9288291553255165
Energy: 0.6972866172651698
Energy: 0.8454300053433815
Energy: 0.6766201955562352
Energy: 0.8203062242517392
Energy: 0.6626681840074637
Energy: 0.5926011042731862
Energy: 0.9765401588169504
Energy: 0.6700154734404059
Energy: 0.8150798128855936
Energy: 0.8932234279611895
Energy: 1.1599197575508222
Energy: 0.8033281907618823
Energy: 1.0299023247562076
Energy: 0.7160198936522515
Energy: 0.8866377606163073
Energy: 1.183003912584318
Energy: 0.636137512641666
Energy: 0.8281246255983074
Energy: 0.8394231705463839
Energy: 0.7573543873082055
Energy: 0.8382798960498997
Energy: 0.640790270134767
Energy: 1.0034112573621818
Energy: 0.7654709263376902
Energy: 0.8045655376480613
Energy: 0.631751423493927
Energy: 0.861536583637202
Energy: 0.8358245827280889
Energy: 0.6478213687619386
Energy: 1.0314993221176274
Energy: 0.8615238006910901
Energy: 0.9173704075653943
Energy: 0.898003494683322
Energy: 0.8776447372987032
Energy: 0.8692570265158382
Energy: 0.8244542048648081
Energy: 1.1891365366179345
Energy: 0.8350457700333614
Energy: 0.992158024527556
Energy: 0.6901531529806079
Energy: 0.6505651124201898
Energy: 0.9211972753474397
Energy: 0.8671990595664971
Energy: 1.0625166041046372
Energy: 0.994807682593053
Energy: 0.9942069696713255
Energy: 1.157727889985497
Energy: 0.8650054312996162
Energy: 1.0741861496854999
Energy: 1.0773247597002538
Energy: 1.2007884930472454
Energy: 0.7593103186863438
Energy: 1.1434301445405965
Energy: 1.3111285140815656
Energy: 1.0825037802947233
Energy: 1.0903910012897893
Energy: 1.066130054178189
Energy: 0.9566152390881084
Energy: 0.9749360517537241
Energy: 0.7529780355284005
Energy: 0.6833246347408508
Energy: 0.8274934605945418
Energy: 1.0885773014183175
Energy: 0.8558387446010374

minimum gb energy = 0.5926011042731862 eV
minimum distance =  2.25844075100075 Angstroms
sigma value = 113


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

Energy: 0.9865872170592703
Energy: 1.2327394511007486
Energy: 1.1636073319318407
Energy: 0.8998314396348654
Energy: 1.0015317248924944
Energy: 1.014999339028548
Energy: 1.2373739553012884
Energy: 0.781921225785454
Energy: 0.7492848977227821
Energy: 0.9754193446473851
Energy: 0.6918412886036327
Energy: 0.805556733101837
Energy: 0.6707350287665347
Energy: 0.8585647954453608
Energy: 1.1680073508830513
Energy: 0.749397266582127
Energy: 0.8453959624689044
Energy: 0.8776010577924381
Energy: 0.771192770789536
Energy: 0.8639805808375453
Energy: 0.7684363000776491
Energy: 0.985556360981822
Energy: 0.6998299277275387
Energy: 1.0124638385372033
Energy: 0.7459879397782444
Energy: 0.795880888655275
Energy: 0.9914609379690256
Energy: 0.7002994066476766
Energy: 0.834263572065204
Energy: 0.6610745240079403
Energy: 0.6570495586606743
Energy: 0.612225906014719
Energy: 0.6603602931396849
Energy: 0.7075935193792503
Energy: 0.8023471187539336
Energy: 0.8605890054767502
Energy: 0.6245200469402551
Energy: 1.0080932009664703
Energy: 0.4809572085548318
Energy: 0.8398293307438955
Energy: 0.8232816969944381
Energy: 0.7280554368334036
Energy: 0.8625629292676992
Energy: 0.5668347600460217
Energy: 0.7678420611076309
Energy: 0.793206107423566
Energy: 0.7574529902502072
Energy: 0.7062050070551471
Energy: 0.6709724197933828
Energy: 0.8422150609237916
Energy: 0.46674819888362484
Energy: 0.5202956276618412
Energy: 0.653004854504895
Energy: 0.6350614871339334
Energy: 0.49121211425277933
Energy: 0.6578368092108019
Energy: 0.7295956238985651
Energy: 0.588307794078107
Energy: 1.1129539472680716
Energy: 0.6075182179418864
Energy: 0.6691908382842263
Energy: 1.1172273750872146
Energy: 0.6803112920671333
Energy: 1.056283846826179
Energy: 0.6363222806675978
Energy: 0.66662946429706
Energy: 0.5923662664599223
Energy: 0.5083445655584571
Energy: 0.5889541164789206
Energy: 0.7414550756400273
Energy: 1.1191469670698644
Energy: 0.5418413524027116
Energy: 0.8178005382458093
Energy: 0.6493598153720586
Energy: 0.5472237577027966
Energy: 0.7492370038368827
Energy: 0.5426878437837468
Energy: 0.7439160340186838
Energy: 0.5257816367346236
Energy: 1.049421712720584
Energy: 0.7454491178315036
Energy: 0.8839487897769431
Energy: 1.0704772146009258
Energy: 0.5376257179270032
Energy: 0.9991898162792126
Energy: 0.48986415101316066
Energy: 0.7373053524277555
Energy: 0.926819650556495
Energy: 0.5570218692949154
Energy: 0.5747670883670674
Energy: 0.7257537033181574
Energy: 1.0902879801289764
Energy: 0.6452681365287628
Energy: 0.6943617819962972
Energy: 0.6832869741134043
Energy: 0.7785796738006309
Energy: 0.9511722865753183
Energy: 0.681328750723208
Energy: 0.8522879584896172
Energy: 1.0851766547768533
Energy: 1.0786906687691948
Energy: 0.7227329701644317
Energy: 1.0732976604102944
Energy: 0.8358317005255866
Energy: 0.847697894839585
Energy: 0.7335531925526555
Energy: 0.5381140342290699
Energy: 0.634036777921728
Energy: 0.7988760622587893
Energy: 0.446082575490331
Energy: 0.8351826762173543
Energy: 0.6855700834813655
Energy: 0.8114787325130138
Energy: 0.7543339289095113
Energy: 0.8470952583300208
Energy: 0.660697077707215
Energy: 0.7172347346573853
Energy: 0.7372613281987557
Energy: 0.6564033857057293
Energy: 0.8182029029057063
Energy: 0.6716000509051702
Energy: 0.8627848963413082
Energy: 0.848435752938611
Energy: 0.7572144385352181
Energy: 0.8163960909674421
Energy: 0.803479694684005
Energy: 0.7353931211327684
Energy: 0.870853489836086
Energy: 0.5616917393966216
Energy: 0.5971830701689365
Energy: 0.6143033431797152
Energy: 0.8174671219159637
Energy: 0.7792065818975717
Energy: 1.0338713165202986
Energy: 0.656022427446871
Energy: 0.9792615330576085
Energy: 0.5207270895121158
Energy: 0.9186541945288087
Energy: 1.078838330050548
Energy: 0.7234900222615911
Energy: 1.1400496909033544
Energy: 0.8427852956591603
Energy: 0.9591891498201214
Energy: 0.806840143384193
Energy: 0.8102905292107747
Energy: 0.7332925235306457
Energy: 0.6808420894177781
Energy: 0.8029661864379036
Energy: 0.8680362138433807
Energy: 0.874454078580015
Energy: 0.6152837470955923
Energy: 0.5934905082541883
Energy: 0.7466842241879678
Energy: 0.8108145095556077
Energy: 0.9756451486345207
Energy: 0.8254318589705549
Energy: 1.1642580997368224
Energy: 0.9355370787240093
Energy: 1.0222517655142824
Energy: 0.9126336705300387
Energy: 0.9818470702117573
Energy: 0.7458199895933358
Energy: 0.8418683363471079
Energy: 0.6948909195626619
Energy: 0.5979492755638611
Energy: 0.6885247222710311
Energy: 0.6661769917524974
Energy: 0.8062576472668006
Energy: 1.0530820683799451
Energy: 0.681342865545993
Energy: 1.0303940449026294
Energy: 0.7134968019411688
Energy: 0.7740067543731262
Energy: 0.8999848178836732
Energy: 0.7351513985351341
Energy: 1.0857704836410407
Energy: 0.6388778474861747
Energy: 1.0615320583496228
Energy: 0.6015390810767801
Energy: 0.6973474662117166
Energy: 0.8916403704718759
Energy: 0.6875762097929928
Energy: 0.7766248343566637
Energy: 0.6894234407835589
Energy: 0.6787908608287334
Energy: 0.69562772295924
Energy: 0.5840458014176881
Energy: 0.7981957075779216
Energy: 0.8292326657981233
Energy: 0.7857379435600602
Energy: 0.7816746770715193
Energy: 1.0565617875231736
Energy: 0.8169436453265883
Energy: 0.8148074663873207
Energy: 0.7819889608557637
Energy: 1.0918050684695453
Energy: 1.109555885940858
Energy: 0.5766939516620376
Energy: 0.7620570679298203
Energy: 0.7866867483621043
Energy: 0.8628877967991819
Energy: 0.6974130703836718
Energy: 0.6099254395646857
Energy: 1.120170279247221
Energy: 0.46598135587758943
Energy: 0.8670867430599541
Energy: 0.8233881259909882
Energy: 0.8724929268070111
Energy: 0.804549946535041
Energy: 0.6687310557513994
Energy: 0.9205397929403878
Energy: 0.5910701336019867
Energy: 0.9215573503561602
Energy: 0.6164890794645566
Energy: 0.7074406305296146
Energy: 1.1683098896760016
Energy: 0.6692224677032593
Energy: 0.9871350234870164
Energy: 0.6946735711718435
Energy: 0.8195417959052965
Energy: 0.43951157353066667
Energy: 0.5612828489723568
Energy: 0.7871700325061234
Energy: 0.5694509590082866
Energy: 1.0616716668160362
Energy: 0.5760173247339203
Energy: 0.8417816341259206
Energy: 0.8336428897913709
Energy: 0.7794794286056556
Energy: 0.7408269417500626
Energy: 0.541625165647627
Energy: 0.6637381605621165
Energy: 0.5544935315374844
Energy: 1.146936953463594
Energy: 0.7309714370126906
Energy: 0.8614896942773201
Energy: 1.0536613178420255
Energy: 0.544042925902074
Energy: 1.0011355046728951
Energy: 0.48807186520123164
Energy: 0.5669798344180177
Energy: 1.00628519159893
Energy: 0.7872842042549081
Energy: 0.7237060832851719
Energy: 0.7097279827841421
Energy: 0.9843662395189126
Energy: 0.8988462610654522
Energy: 0.7352295777155864
Energy: 0.6748653249112171
Energy: 1.0005692042288041
Energy: 0.7169111047185304
Energy: 0.6162945749756541
Energy: 0.939585550259368
Energy: 0.6180536197401546
Energy: 1.0862235980249109
Energy: 0.572895359803932
Energy: 0.8208918556383173
Energy: 1.0115850922679275
Energy: 0.9220368376709985
Energy: 0.9807331987358029
Energy: 0.5434345161024655
Energy: 0.5863859580185726
Energy: 0.7317950273168534
Energy: 0.5380112218763978
Energy: 0.7758892557858249
Energy: 0.606895602595063
Energy: 0.8947118587624426
Energy: 0.8825701938003588
Energy: 0.9201016461038437
Energy: 0.6245158138132026
Energy: 0.7698734493117816
Energy: 0.9267574011082501
Energy: 0.6979070061207816
Energy: 0.748185155889819
Energy: 0.6597277421961325
Energy: 0.9043268935946478
Energy: 0.7159210335261159
Energy: 0.748245562222786
Energy: 0.960399473509298
Energy: 0.6400131746081378
Energy: 0.8738146710596045
Energy: 0.8120811109061895
Energy: 0.6257329766002999
Energy: 0.6410326910091882
Energy: 0.6424487585509013
Energy: 0.656160710912982
Energy: 0.7268295978711402
Energy: 1.0365587232163613
Energy: 1.033296037781371
Energy: 1.0499867301604833
Energy: 1.1383463748076494
Energy: 0.9655645891465278
Energy: 0.9366313989999038
Energy: 0.9190796212906122
Energy: 0.9982047531257544
Energy: 0.762486861532837
Energy: 0.9054755460935029
Energy: 0.7702282091390571
Energy: 0.712823358613446
Energy: 0.7322223625290126
Energy: 0.8266518913433665
Energy: 1.2535972446587793
Energy: 0.8198345287257421
Energy: 0.9798542239542803
Energy: 0.7175284757882627
Energy: 0.7126343186843905
Energy: 0.8087809709505346
Energy: 0.7026019870239629
Energy: 0.9842942906826257
Energy: 0.9995676668814625
Energy: 1.1595719781555773
Energy: 0.717196924293877
Energy: 0.8732713810835362
Energy: 1.0719419336490843
Energy: 0.7182109038963755

minimum gb energy = 0.43951157353066667 eV
minimum distance =  2.27085477337754 Angstroms
sigma value = 365


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

Energy: 0.9262909264519333
Energy: 0.4263723478816633
Energy: 0.43832162481429726
Energy: 0.43613711055603754
Energy: 0.4365038690158589
Energy: 0.4340607184001634
Energy: 0.4282650612804525
Energy: 0.9408186993371742
Energy: 0.4050407924743982
Energy: 0.4021731351849501
Energy: 0.43783917766035796
Energy: 0.44087777058930194
Energy: 0.4522665890269933
Energy: 0.3195951715700354
Energy: 0.9253842481496479
Energy: 0.4231903984640947
Energy: 0.42261809584343984
Energy: 0.43501248003683346
Energy: 0.4174429479218619
Energy: 0.4378667188792275
Energy: 0.40087584895332806
Energy: 0.9235432731949592
Energy: 0.46556352192073225
Energy: 0.41834533399969814
Energy: 0.44918847075437013
Energy: 0.4362158581128403
Energy: 0.4231290764008959
Energy: 0.42758565650671493
Energy: 0.911642593344489
Energy: 1.0934424036380674
Energy: 0.8501318181930985
Energy: 0.3593252994432614
Energy: 0.9347339677230307
Energy: 0.32897035999858365
Energy: 0.29921262763962525
Energy: 0.9294159998561919
Energy: 0.38316262827728403
Energy: 0.49274156448184037
Energy: 0.4623764353612273
Energy: 0.4640079509020466
Energy: 0.41578750897786093
Energy: 0.42756857714707797
Energy: 0.9136842577562982
Energy: 0.451183807958183
Energy: 0.4273002516055436
Energy: 0.4088601789034356
Energy: 0.4166376382277954
Energy: 0.4425215263786967
Energy: 0.44624552045075677
Energy: 0.9107057527473655
Energy: 0.46755491259704013
Energy: 0.43720776208093126
Energy: 0.4022471155042032
Energy: 0.44928448708167307
Energy: 0.4355583093032362
Energy: 0.463860261422968
Energy: 0.9292862043894352
Energy: 0.3415080155728918
Energy: 0.47251282472505435
Energy: 0.42037340276702245
Energy: 0.44157254058255857
Energy: 0.4208057567458496
Energy: 0.4088787237470384
Energy: 0.9138815111471301
Energy: 1.1123810444400428
Energy: 0.8372572299213231
Energy: 0.9486474840599217
Energy: 0.9313837876241319
Energy: 0.8407890853790594
Energy: 1.0919329163769071
Energy: 0.9264476841441983
Energy: 0.4624848548445537
Energy: 0.41063576993272677
Energy: 0.4139036677490634
Energy: 0.47834206540766805
Energy: 0.41672023926770635
Energy: 0.44845475085432446
Energy: 0.9223468561605029
Energy: 0.43010731152407183
Energy: 0.41634434140155147
Energy: 0.38796354561228286
Energy: 0.430146111698404
Energy: 0.4434257912622776
Energy: 0.4598458508285301
Energy: 0.9141588557504639
Energy: 0.35186841725215895
Energy: 0.9097424765388307
Energy: 0.4369759826696168
Energy: 0.40751438828676245
Energy: 0.4347631284433702
Energy: 0.47134219791678234
Energy: 0.928824858023733
Energy: 0.4511746999538764
Energy: 0.41122273069274207
Energy: 0.42509332460745136
Energy: 0.4426119578601755
Energy: 0.4297887455750813
Energy: 0.4706454824143584
Energy: 0.9101204063891369
Energy: 0.3389239910700636
Energy: 0.9071471119706082
Energy: 0.5364106787556105
Energy: 0.40601819661900135
Energy: 0.40216977537970977
Energy: 0.4626558466951423
Energy: 0.9193649295133484
Energy: 0.4683252785465995
Energy: 0.41839071240707393
Energy: 0.42362128805093985
Energy: 0.41205703463357823
Energy: 0.4856472180678542
Energy: 0.4103515846643928
Energy: 0.91994771335392
Energy: 0.45224998463589094
Energy: 0.4786715349580963
Energy: 0.44233384438303847
Energy: 0.43955494276315477
Energy: 0.4150802998959071
Energy: 0.41682632913807827
Energy: 0.9103143352404984
Energy: 0.44721099711863216
Energy: 0.41947505333808793
Energy: 0.421488796718088
Energy: 0.39981651702692356
Energy: 0.432123783844084
Energy: 0.4030720512677402
Energy: 0.9294215709254355
Energy: 0.445661885977359
Energy: 0.4460806267694157
Energy: 0.44382123547906316
Energy: 0.41100550053520246
Energy: 0.4076628364648765
Energy: 0.42520527578969586
Energy: 0.891661784590296
Energy: 0.44477639751488834
Energy: 0.8999608145805832
Energy: 0.3706852112049633
Energy: 0.37936076830421045
Energy: 0.44912145743092846
Energy: 0.4588049076762024

minimum gb energy = 0.29921262763962525 eV
minimum distance =  2.38528806591064 Angstroms
sigma value = 23