Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000
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=3.6110985279083248
cohesive_energy=4.242432836483997
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.020127269331837568
Energy: 0.4726640944807304
Energy: 1.139250558429644
Energy: 0.4728102056969791
Energy: 0.020127269331837568
Energy: 0.472664094479989
Energy: 0.4874780262048069
Energy: 0.48699309830277676
Energy: 0.02070529788132047
Energy: 0.24307736426161783
Energy: 0.020999767464555202
Energy: 0.48699309830277676
Energy: 0.02070529788132047
Energy: 0.24307736426161783
Energy: 0.020127269331837568
Energy: 0.4726640944807304
Energy: 1.2523373903642134
Energy: 0.4728102056972357
Energy: 0.020127269331837568
Energy: 0.472664094479989
Energy: 0.4874780262048069
Energy: 0.48699309830277676
Energy: 0.02070529788132047
Energy: 0.24307736426161783
Energy: 0.020999767464555202
Energy: 0.4869930983002677
Energy: 0.02070529788132047
Energy: 0.24307736426161783
Energy: 0.020127269331837568
Energy: 0.4726640944807304
Energy: 1.2523373903642134
Energy: 0.4728102056974923
Energy: 0.020127269331837568
Energy: 0.4726640944802457
Energy: 0.4874780262048069
Energy: 0.48699309830277676
Energy: 0.02070529788132047
Energy: 0.24307736425910872
Energy: 0.020999767464555202
Energy: 0.48699309830277676
Energy: 0.02070529788132047
Energy: 0.24307736426161783

minimum gb energy = 0.020127269331837568 eV
minimum distance =  2.53065505652186 Angstroms
sigma value = 5


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

Energy: 0.9082888411872126
Energy: 0.8230715850210928
Energy: 0.9090680248411857
Energy: 0.8227142059397791
Energy: 0.908288841181082
Energy: 0.8230715850272234
Energy: 0.888525993783404
Energy: 0.8898376760508272
Energy: 0.9147866189921823
Energy: 0.9620591002145213
Energy: 0.925141856571485
Energy: 0.8898376760477618
Energy: 0.9147866189921823
Energy: 0.9620591002145213
Energy: 0.8738151696589198
Energy: 0.6641525043269375
Energy: 0.8829820737163471
Energy: 0.5668743657458908
Energy: 0.8738151696589198
Energy: 0.6641525043238722
Energy: 0.8829820737163471
Energy: 0.9721515810661508
Energy: 0.8643580242672898
Energy: 0.8357811552092875
Energy: 0.9350529953910358
Energy: 0.9721515810692162
Energy: 0.8643580242642245
Energy: 0.8357811552092875
Energy: 0.973550453612882
Energy: 0.8743883917504625
Energy: 0.9035487426177067
Energy: 0.855260037325501
Energy: 0.9735504536036859
Energy: 0.8743883917535279
Energy: 0.8342119716746388
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Energy: 0.9129532918353076
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Energy: 0.9555858157946483
Energy: 0.9160870836610594
Energy: 0.9129532918383731
Energy: 0.8715055591987766
Energy: 0.9202572820467213
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Energy: 0.8972121988742877
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Energy: 0.9202572820467213
Energy: 0.8786204925008854
Energy: 0.8920483444225946
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Energy: 0.8310985471239302
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Energy: 0.9212755939681478
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Energy: 0.9383126819940099
Energy: 0.8345497735042705
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Energy: 0.917517730458466
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Energy: 0.8680484535884251
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Energy: 0.9260766532415947
Energy: 0.9418855422705446
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Energy: 0.8692966266607498
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Energy: 0.9423412185473388
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Energy: 0.8522333190807623
Energy: 0.8961037770053083
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Energy: 0.9619186389690345
Energy: 0.8522333190807623
Energy: 0.8961037770022429
Energy: 0.9225523469077294
Energy: 0.955839563999506
Energy: 0.8895979203870351
Energy: 0.9953784618726368
Energy: 0.92255234691386
Energy: 0.955839563999506
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Energy: 0.874017597249896
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Energy: 0.8703472390757605
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Energy: 0.9777624077276877
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Energy: 0.8744038638989949
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Energy: 0.878236053527264
Energy: 0.878371383758676
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Energy: 0.8764620112020648
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Energy: 0.8594195812991602
Energy: 0.5273233517092757
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Energy: 0.8675177232318816
Energy: 0.8594195812960949
Energy: 0.8994029212756545
Energy: 0.9398019214752802
Energy: 0.9673721590930123
Energy: 0.8835318693209624
Energy: 0.8994029212879159
Energy: 0.9398019214814108
Energy: 0.967372159089947
Energy: 0.920396449789186
Energy: 0.9626071409506937
Energy: 0.9367223091138834
Energy: 0.8516957277604029
Energy: 0.9203964497830552
Energy: 0.9626071409537591
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Energy: 1.0051761284644924
Energy: 0.8971250518153158
Energy: 0.9092969175191121
Energy: 0.8960113669385092
Energy: 1.0051761284614271
Energy: 0.8971250518153158
Energy: 0.9092969175129813
Energy: 0.9012226509071847
Energy: 0.9052327593714722
Energy: 0.8597151564528934
Energy: 0.9387578120678699
Energy: 0.9012226509010539
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Energy: 0.859715156455959
Energy: 0.8861181204453433
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Energy: 0.8825083812945823
Energy: 0.8229426660465577
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Energy: 0.8825083813007131
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Energy: 0.8810484585728726
Energy: 0.9080147378214749
Energy: 0.905798789756754
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Energy: 0.9551324216217716
Energy: 0.8487340066799377
Energy: 0.9582235731829011
Energy: 0.8759379027895807
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Energy: 0.9588402967126026
Energy: 0.8756232425912462
Energy: 0.840140005821369
Energy: 0.9076225786007734
Energy: 0.9588402967187333
Energy: 0.8756232425881808
Energy: 0.8401400058183035
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Energy: 0.8768568883667385
Energy: 0.8346561417493161
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Energy: 0.9983610640668514
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Energy: 0.9340644572359734
Energy: 0.9409360676317338
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Energy: 0.5952358970278857
Energy: 0.9340644572329081
Energy: 0.9409360676317338
Energy: 0.8157202991016479
Energy: 0.9916160258681517
Energy: 0.8654027287160908
Energy: 0.8704630608587653
Energy: 0.9339347398231436
Energy: 0.9916160258711613
Energy: 0.8654027287130254
Energy: 0.8704630608557001
Energy: 0.942800730809915
Energy: 0.9189772329557688
Energy: 0.8844275413077087
Energy: 0.9288181125760554
Energy: 0.9428007308160457
Energy: 0.9189772329527034
Energy: 0.8844275413077087
Energy: 0.9782435796350907
Energy: 0.8895372598034715
Energy: 0.9270260798038596
Energy: 0.9182937544020543
Energy: 0.9782435796258946
Energy: 0.8895372598004062
Energy: 0.9270260798130556
Energy: 0.9787876665258571
Energy: 0.5819728063292733
Energy: 0.8496121104879141
Energy: 0.9719558122455492
Energy: 0.978787666516661
Energy: 0.5819728063415347
Energy: 0.849612110478718
Energy: 0.9098472093393606
Energy: 0.8986231981955216
Energy: 0.8741305713773148
Energy: 0.9200482618517613
Energy: 0.9098472093424259
Energy: 0.898623198189391
Energy: 0.87413057138038
Energy: 0.9307709346873726
Energy: 0.9108449244151765
Energy: 0.8932213451654084
Energy: 0.9038269692265439
Energy: 0.9307709346843072
Energy: 0.9108449244121112
Energy: 0.8932213451623431
Energy: 0.987778892299633
Energy: 0.9183705279739618
Energy: 0.8377084703242842
Energy: 0.898055522271508
Energy: 0.987778892299633
Energy: 0.9183705279708964
Energy: 0.8377084703212188
Energy: 0.9146535949870631
Energy: 0.886443944025581
Energy: 0.8440581346493202
Energy: 0.8334445246959059
Energy: 0.9146535949901285
Energy: 0.8864439440286465
Energy: 0.8440581346462549

minimum gb energy = 0.5129931580501897 eV
minimum distance =  2.26946237349319 Angstroms
sigma value = 401


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

Energy: 0.7976417009502643
Energy: 0.9269370063976774
Energy: 0.8845642198450779
Energy: 0.9836061846802129
Energy: 0.7976417009572233
Energy: 0.926937006394198
Energy: 0.901279856883072
Energy: 0.9776087462399354
Energy: 0.8433753663371771
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Energy: 1.036050874259857
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Energy: 0.9941387968658426
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Energy: 0.8551585738099979
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Energy: 0.9274457884980325
Energy: 0.8328506783190287
Energy: 1.0418250204293005
Energy: 0.9432064016465099
Energy: 0.8543411099425416
Energy: 0.9176844014178251
Energy: 1.0418250204327801
Energy: 0.943206401639551
Energy: 0.8022489480093902
Energy: 0.9595697875812464
Energy: 0.9659280648825571
Energy: 0.8487134906308378
Energy: 0.9424422504325848
Energy: 0.9595697875777669
Energy: 0.9659280648860366
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Energy: 0.9397450043085331
Energy: 0.9138194960417332
Energy: 1.0204045674726263
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Energy: 0.9659280648825571
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Energy: 0.8967042438248441
Energy: 1.0204045674692104
Energy: 0.9658208477339162
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Energy: 0.9076980203107148
Energy: 0.9165902152393907
Energy: 0.8816751125449964
Energy: 0.9170842263385255
Energy: 0.9076980203107148
Energy: 0.916590215235911
Energy: 0.8816751125449964
Energy: 0.8793954472387937
Energy: 0.9534843568508871
Energy: 0.9749334282324273
Energy: 0.9244621622547967
Energy: 0.8793954472422731
Energy: 0.9534843568508871
Energy: 0.9749334282359069
Energy: 0.924314071978495
Energy: 0.9670228234455883
Energy: 0.9638844825221944
Energy: 0.6556509168629289
Energy: 0.924314071971536
Energy: 0.9670228234490678
Energy: 0.9638844825291535
Energy: 0.9566076452443194
Energy: 0.981322755797977
Energy: 0.9691864379056391
Energy: 0.7142880559843936
Energy: 0.9566076452443194
Energy: 0.9813227557944975
Energy: 0.9691864379091187
Energy: 1.0412132097294957
Energy: 0.9528404294752223
Energy: 0.9698711655025207
Energy: 0.7107816244585861
Energy: 1.0412132097294957
Energy: 0.9528404294787017
Energy: 0.9698711655025207
Energy: 1.0167308593507676
Energy: 0.9184895806547713
Energy: 0.8990295189803508
Energy: 0.8520946851103804
Energy: 1.016730859354247
Energy: 0.9184895806547713
Energy: 0.8990295189768714
Energy: 0.9110287653170783
Energy: 0.9310910622928447
Energy: 0.9639690364530904
Energy: 0.883592081516307
Energy: 0.911028765313599
Energy: 0.9310910622928447
Energy: 0.9639690364496108
Energy: 0.9233636942316158
Energy: 0.9269370063976774
Energy: 0.901279856883072
Energy: 0.9836061846836924
Energy: 0.9233636942350952
Energy: 0.926937006394198
Energy: 0.901279856883072
Energy: 0.9776087462399354
Energy: 0.8433753663336977
Energy: 0.8372142720312569
Energy: 0.9005694128033009
Energy: 0.9776087462399354
Energy: 0.8433753663302183
Energy: 0.8372142720312569

minimum gb energy = 0.6556509168525536 eV
minimum distance =  2.32177667518718 Angstroms
sigma value = 311


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

Energy: 0.9622259947335542
Energy: 1.009212920919226
Energy: 0.8695314832476629
Energy: 1.0073117476821731
Energy: 0.9622259947319471
Energy: 1.0092129209188245
Energy: 0.907239116997965
Energy: 0.9918184595637954
Energy: 0.9837172861487545
Energy: 0.9565801722667483
Energy: 0.9434564426271619
Energy: 0.9918184595633938
Energy: 0.9837172861491562
Energy: 0.9565801722655431
Energy: 0.9051451128672625
Energy: 0.8488793099959044
Energy: 0.9089814134434213
Energy: 0.8917115250089618
Energy: 0.9051451128672625
Energy: 0.8488793099951009
Energy: 0.8857362014997044
Energy: 0.8828476691214773
Energy: 0.8755834611179857
Energy: 0.9314213866487465
Energy: 0.9408460622754836
Energy: 0.8828476691238879
Energy: 0.8755834611183876
Energy: 0.9314213866491482
Energy: 0.8645370938209541
Energy: 0.8928742790946443
Energy: 0.8262627303736775
Energy: 0.8328053008288344
Energy: 0.8645370938221596
Energy: 0.8928742790942427
Energy: 0.8490539054095293
Energy: 0.9624207615177661
Energy: 0.9381883359103679
Energy: 0.8684290073657709
Energy: 0.8771122896824645
Energy: 0.9624207615181679
Energy: 0.9381883359099661
Energy: 0.8684290073637618
Energy: 0.9915852084711817
Energy: 0.9018751181814045
Energy: 0.8619555407657374
Energy: 0.893286782114008
Energy: 0.9915852084715835
Energy: 0.9018751181814045
Energy: 0.8809465811747561
Energy: 0.8357431073095666
Energy: 0.8715793967202778
Energy: 0.9550512267717808
Energy: 0.9286615250557666
Energy: 0.8357431073095666
Energy: 0.8715793967190724
Energy: 0.9550512267709772
Energy: 0.9053363567939805
Energy: 0.8828509708458139
Energy: 0.9799563195463127
Energy: 0.8671871998508849
Energy: 0.9053363567967929
Energy: 0.8828509708446086
Energy: 0.9671006448901189
Energy: 0.9156105272330219
Energy: 0.8866254627028869
Energy: 0.961281307201387
Energy: 0.9244652916804746
Energy: 0.9156105272334238
Energy: 0.8866254627028869
Energy: 0.9612813072005835
Energy: 0.8852398333709539
Energy: 0.9400946664417059
Energy: 0.9716967985342294
Energy: 0.9368638857719531
Energy: 0.8852398333701504
Energy: 0.9400946664409023
Energy: 0.9716967985358365
Energy: 0.9146655691714524
Energy: 0.9106077560172714
Energy: 0.9098893218488396
Energy: 0.9179481694611357
Energy: 0.914665569171854
Energy: 0.910607756017673
Energy: 0.9098893218476344
Energy: 0.9537233667709694
Energy: 0.9459533971120853
Energy: 0.9568526718128482
Energy: 0.9018327421378375
Energy: 0.9537233667713712
Energy: 0.9459533971140943
Energy: 0.9568526718144553
Energy: 0.9493233726166487
Energy: 0.8865423454105659
Energy: 0.9034838248810232
Energy: 0.8784808289495001
Energy: 0.9493233726170505
Energy: 0.8865423454093604
Energy: 0.9034838248810232
Energy: 0.9181188909210324
Energy: 0.9168776204082953
Energy: 0.9399591966598979
Energy: 0.9291369955024671
Energy: 0.9181188909214343
Energy: 0.9168776204090989
Energy: 0.9399591966594961
Energy: 0.9192379486244149
Energy: 0.9186221829780484
Energy: 0.9457512997185582
Energy: 0.9135106534334555
Energy: 0.9192379486256202
Energy: 0.9186221829736286
Energy: 0.9457512997197635
Energy: 0.9414264526875665
Energy: 0.9432520287797228
Energy: 0.8658684302090998
Energy: 0.8670927764409063
Energy: 0.9414264526863612
Energy: 0.9432520287793209
Energy: 0.8658684302115104
Energy: 0.9369748180983755
Energy: 0.9034969223321533
Energy: 0.9230097919992031
Energy: 0.8691312522693199
Energy: 0.9369748180979737
Energy: 0.9034969223321533
Energy: 0.9230097919992031
Energy: 0.9147292804066451
Energy: 0.9285694893290345
Energy: 0.9671291289236549
Energy: 0.8509413856589895
Energy: 0.9147292804066451
Energy: 0.92856948933024
Energy: 0.9671291289236549
Energy: 0.8551212432067578
Energy: 0.9121865772454681
Energy: 0.9381441669629916
Energy: 0.8718332978700638
Energy: 0.8551212432075612
Energy: 0.9121865772454681
Energy: 0.938144166962188
Energy: 0.9627224050012835
Energy: 0.946007193291483
Energy: 1.0447391481823656
Energy: 0.9224643615663837
Energy: 0.9627224050004799
Energy: 0.946007193291483
Energy: 1.0447391481831692
Energy: 0.9861539745655219
Energy: 0.9658981490562171
Energy: 0.9193595638121086
Energy: 0.906155995876138
Energy: 0.9861539745667272
Energy: 0.9658981490554136
Energy: 0.9193595638125105
Energy: 0.9221899722929948
Energy: 0.8346302583971997
Energy: 0.8544507409110796
Energy: 0.8930112048098207
Energy: 0.9221899722937983
Energy: 0.8346302583947891
Energy: 0.8376294475609074
Energy: 0.9623723836084747
Energy: 0.9551695199861547
Energy: 0.9317585863417169
Energy: 0.904996951803361
Energy: 0.9623723836092781
Energy: 0.9551695199865566
Energy: 0.9317585863413151
Energy: 0.8997524920294239
Energy: 0.9046632682532758
Energy: 0.8624440777710862
Energy: 0.8792990446915764
Energy: 0.8997524920294239
Energy: 0.9046632682520706
Energy: 0.9008211960198309
Energy: 0.9727885554310187
Energy: 0.9161032838717271
Energy: 0.9073021004760565
Energy: 0.974606868176208
Energy: 0.9727885554326259
Energy: 0.9161032838721289
Energy: 0.9073021004756546
Energy: 0.9384893399378673
Energy: 1.0070900015651083
Energy: 0.9157648043061763
Energy: 0.8755258393615354
Energy: 0.9384893399390726
Energy: 1.00709000156551
Energy: 0.9157648043069799
Energy: 0.9858031576866879
Energy: 0.9222801215695692
Energy: 0.9788808899443715
Energy: 0.9330685158441165
Energy: 0.9858031576862861
Energy: 0.9222801215695692
Energy: 0.9788808899443715
Energy: 0.9112291789789164
Energy: 0.8347649781582559
Energy: 0.8888591464004857
Energy: 0.8401241123836224
Energy: 0.9112291789777112
Energy: 0.8347649781594613
Energy: 0.879781964668788
Energy: 0.8835534471011923
Energy: 0.8871237424092191
Energy: 0.9094736951778549
Energy: 0.9321948641905827
Energy: 0.8835534471011923
Energy: 0.8871237424080136
Energy: 0.9094736951786584
Energy: 0.9174627042233816
Energy: 0.8928794769607864
Energy: 0.8561663596632222
Energy: 0.811774807693693
Energy: 0.9174627042241852
Energy: 0.8928794769619915
Energy: 0.8561663596624186
Energy: 0.9085662391730128
Energy: 0.936823454019058
Energy: 0.8882920135883989
Energy: 0.8606411448342669
Energy: 0.9085662391702003
Energy: 0.9368234540178526
Energy: 0.8882920135875955
Energy: 0.9899567396628737
Energy: 0.883423360955055
Energy: 0.8158281569241164
Energy: 0.8850686185513816
Energy: 0.9899567396644807
Energy: 0.8834233609554567
Energy: 0.8346767082008414
Energy: 0.855809166350446
Energy: 0.8842631522523501
Energy: 0.9435540135918177
Energy: 0.9132568313015325
Energy: 0.8558091663500441
Energy: 0.8842631522515465
Energy: 0.943554013593425
Energy: 0.9537963340642703
Energy: 0.8678419477562415
Energy: 0.970523914503866
Energy: 0.8377661994801625
Energy: 0.9537963340662794
Energy: 0.8678419477562415
Energy: 0.9844229375194461
Energy: 0.9120656302096739
Energy: 0.8744647167209005
Energy: 0.9323951474378637
Energy: 0.9249910415434868
Energy: 0.9120656302096739
Energy: 0.8744647167196952
Energy: 0.9323951474378637

minimum gb energy = 0.811774807693693 eV
minimum distance =  2.31883824746434 Angstroms
sigma value = 39


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

Energy: 0.8816593745357943
Energy: 1.042786407055952
Energy: 0.8937655792416803
Energy: 1.0592074031387184
Energy: 0.8816593745362686
Energy: 1.0427864070602195
Energy: 0.9552611455809054
Energy: 1.023784470717407
Energy: 0.8464473198637139
Energy: 0.7360735112995108
Energy: 0.8463915626215286
Energy: 1.0237844707140877
Energy: 0.8464473198675072
Energy: 0.7360735112985625
Energy: 0.8819646493274961
Energy: 0.8424314219307661
Energy: 0.7254745498235131
Energy: 0.8632001713872679
Energy: 0.8819646493251252
Energy: 0.8424314219279211
Energy: 0.7254745498235131
Energy: 1.0532154948792016
Energy: 0.846357847427022
Energy: 0.7359001933585135
Energy: 0.7959938785221276
Energy: 1.0532154948810981
Energy: 0.8463578474251253
Energy: 0.7359001933551942
Energy: 0.9708855775815661
Energy: 0.8444629750743445
Energy: 0.8499826531772391
Energy: 1.0476940194309659
Energy: 0.9708855775716084
Energy: 0.844462975070077
Energy: 0.8499826531800843
Energy: 1.053634333969173
Energy: 0.7238924956162539
Energy: 1.1378659355151621
Energy: 0.7861124615561507
Energy: 1.0536343339701215
Energy: 0.7238924956158228
Energy: 1.1378659355137395
Energy: 1.0914190984053864
Energy: 0.844183239139882
Energy: 0.9087214935390153
Energy: 0.8642054385539247
Energy: 1.0914190984106025
Energy: 0.8441832391408304
Energy: 0.8558928382949749
Energy: 1.0534578597585558
Energy: 0.8565599746030997
Energy: 1.1885747327459466
Energy: 0.8570379142625587
Energy: 1.053457859755711
Energy: 0.8565599746073673
Energy: 1.1885747327454723
Energy: 1.0912704834749416
Energy: 0.8642290572761625
Energy: 0.8888415594806812
Energy: 0.8441126055381605
Energy: 1.0912704834744675
Energy: 0.864229057277585
Energy: 0.8888415594821037
Energy: 1.0536923761634942
Energy: 0.7867682389222652
Energy: 1.1380300908673584
Energy: 0.7236966087370823
Energy: 1.0536923761620716
Energy: 0.7867682389232136
Energy: 1.1380300908616683
Energy: 0.9733766687549479
Energy: 1.047875211535371
Energy: 0.9325143501470106
Energy: 0.8442517132575409
Energy: 0.9733766687521029
Energy: 1.0478752115382162
Energy: 0.8175129203041421
Energy: 1.053472333919269
Energy: 0.788112371037007
Energy: 0.7361214974409619
Energy: 0.8463847352447365
Energy: 1.0534723339187948
Energy: 0.7881123710351103
Energy: 0.736121497441436
Energy: 0.8824248498124844
Energy: 0.8635367262814724
Energy: 0.7518210216235646
Energy: 0.8428501334051582
Energy: 0.8824248498148554
Energy: 0.863536726280524
Energy: 0.7749078478863404
Energy: 1.0237453028387253
Energy: 0.8462800273318919
Energy: 0.7360078405651154
Energy: 0.8464181325880441
Energy: 1.0237453028339836
Energy: 0.8462800273318919
Energy: 0.7360078405646412
Energy: 0.8816593745362686
Energy: 1.0427864070564263
Energy: 0.9242485801110101
Energy: 1.0592074031387184
Energy: 0.8816593745381652
Energy: 1.0427864070611679
Energy: 0.9552611455813796
Energy: 1.0237844707169328
Energy: 0.846447319864188
Energy: 0.7360735112999851
Energy: 0.8463915626201061
Energy: 1.0237844707140877
Energy: 0.8464473198660847
Energy: 0.7360735112999851
Energy: 0.8819646493274961
Energy: 0.8424314219274468
Energy: 0.7254745498225647
Energy: 0.8632001713867936
Energy: 0.881964649324651
Energy: 0.8424314219255502
Energy: 0.7254745498239873
Energy: 1.0532154948787276
Energy: 0.846357847427022
Energy: 0.735900193357091
Energy: 0.7959938785230759
Energy: 1.0532154948810981
Energy: 0.8463578474255995
Energy: 0.735900193354246
Energy: 0.9708855775640216
Energy: 0.8444629750719735
Energy: 0.8499826531800843
Energy: 1.047694019433811
Energy: 0.9708855775554863
Energy: 0.8444629750696027
Energy: 0.8499826531838777
Energy: 1.0536343339705956
Energy: 0.7238924956186249
Energy: 1.1378659355165848
Energy: 0.786112461554728
Energy: 1.0536343339710699
Energy: 0.723892495616728
Energy: 1.1378659355142136
Energy: 1.0914190984049124
Energy: 0.8441832391403561
Energy: 0.8558928382945007
Energy: 0.864205438552028
Energy: 1.0914190984106025
Energy: 0.8441832391408304
Energy: 0.8558928382954489
Energy: 1.0534578597585558
Energy: 0.8565599746030997
Energy: 1.1885747327464207
Energy: 0.857037914263033
Energy: 1.0534578597552366
Energy: 0.8565599746059449
Energy: 1.1885747327459466
Energy: 1.0912704834754159
Energy: 0.8642290572771109
Energy: 0.8544861167784868
Energy: 0.8441126055405314
Energy: 1.0912704834749416
Energy: 0.8642290572771109
Energy: 0.8544861167794352
Energy: 1.0536923761644423
Energy: 0.7867682389227395
Energy: 1.1380300908659358
Energy: 0.7236966087375565
Energy: 1.05369237616302
Energy: 0.786768238924162
Energy: 1.138030090864039
Energy: 0.9733766687558962
Energy: 1.0478752115330001
Energy: 0.8006984705128511
Energy: 0.8442517132570667
Energy: 0.9733766687530512
Energy: 1.0478752115315777
Energy: 0.8006984705142737
Energy: 1.053472333919743
Energy: 0.7881123710360588
Energy: 0.7361214974409619
Energy: 0.8463847352442622
Energy: 1.0534723339187948
Energy: 0.7881123710336878
Energy: 0.7361214974409619
Energy: 0.8824248498129587
Energy: 0.8635367262791014
Energy: 0.7749078478915565
Energy: 0.842850133401839
Energy: 0.8824248498162779
Energy: 0.8635367262814724
Energy: 0.7749078478872888
Energy: 1.0237453028377768
Energy: 0.8462800273309434
Energy: 0.7360078405651154
Energy: 0.8464181325870959
Energy: 1.0237453028335095
Energy: 0.8462800273318919
Energy: 0.7360078405660636
Energy: 0.8816593745357943
Energy: 1.042786407055478
Energy: 0.9552611455794828
Energy: 1.0592074031391927
Energy: 0.8816593745376912
Energy: 1.0427864070606938
Energy: 0.9552611455804311
Energy: 1.023784470717407
Energy: 0.8464473198637139
Energy: 0.7360735112999851
Energy: 0.8463915626210543
Energy: 1.023784470714562
Energy: 0.8464473198665589
Energy: 0.7360735112980884

minimum gb energy = 0.7236966087370823 eV
minimum distance =  2.27667427127218 Angstroms
sigma value = 21


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

Energy: 0.8844382990701948
Energy: 1.0714932935184542
Energy: 0.840942413283021
Energy: 1.0719466118531227
Energy: 0.8844382990696191
Energy: 1.0714932935178785
Energy: 0.8688877457446941
Energy: 0.9144210626729746
Energy: 0.8784657109450811
Energy: 0.9289032327370932
Energy: 0.8784925070267179
Energy: 0.9144210626712478
Energy: 0.8784657109456566
Energy: 0.9289032327376687
Energy: 0.8025914540797748
Energy: 0.9129832126937515
Energy: 0.7767447167756159
Energy: 0.8365415183746545
Energy: 0.8025914540791993
Energy: 0.9129832126949029
Energy: 0.7767447167773427
Energy: 1.047832407866756
Energy: 0.8779695888447842
Energy: 0.875783299411804
Energy: 0.8277236306245871
Energy: 1.0478324078661805
Energy: 0.8779695888442085
Energy: 0.875783299411804
Energy: 0.8295328262068217
Energy: 0.8215201287343519
Energy: 0.8690020373655701
Energy: 0.889883760164059
Energy: 0.8295328262085486
Energy: 0.8215201287360788
Energy: 0.8690020373661457
Energy: 1.0514751455962978
Energy: 0.8646804083916945
Energy: 0.9077676768946301
Energy: 0.8729253397132181
Energy: 1.0514751455951465
Energy: 0.8646804083905433
Energy: 0.9077676768957815
Energy: 0.9134058470362594
Energy: 0.8062429664094835
Energy: 0.869422008008975
Energy: 0.854775783909047
Energy: 0.9134058470351082
Energy: 0.8062429664089079
Energy: 0.8694220080078235
Energy: 0.8649970624213345
Energy: 0.9450026536410845
Energy: 1.078793387301943
Energy: 0.8729024600485356
Energy: 0.8649970624213345
Energy: 0.9450026536422357
Energy: 1.0787933873025188
Energy: 0.8850921182105822
Energy: 0.7426844756387514
Energy: 0.9704369450429133
Energy: 0.9308075154689285
Energy: 0.8850921182128846
Energy: 0.7426844758608397
Energy: 0.9704369450434891
Energy: 0.932402676069393
Energy: 0.8650108258245262
Energy: 0.8441329645718653
Energy: 0.873035971918274
Energy: 0.932402676069393
Energy: 0.8650108258245262
Energy: 0.8441329645730166
Energy: 0.9101174829317997
Energy: 0.7769329882969914
Energy: 0.9080970019507457
Energy: 0.7780751893475986
Energy: 0.9101174829323754
Energy: 0.7769329882964159
Energy: 0.9326083745325437
Energy: 0.8221598657124555
Energy: 0.8901466815706706
Energy: 0.75561075054104
Energy: 0.7989171647325579
Energy: 0.8221598657136067
Energy: 0.8901466815723976
Energy: 0.7556107505421913
Energy: 0.9101728492359734
Energy: 0.777032957690674
Energy: 0.809558653306728
Energy: 0.7146669710057759
Energy: 0.9101728492371247
Energy: 0.7770329576900984
Energy: 0.8095586533073036
Energy: 0.8324588051536754
Energy: 0.8904233266647049
Energy: 0.8683226141104243
Energy: 0.8617361852338059
Energy: 0.8324588051542511
Energy: 0.8904233266647049
Energy: 0.8683226141075462
Energy: 1.0028375559253595
Energy: 0.8079114386341532
Energy: 0.9358945782134954
Energy: 0.7201982397621873
Energy: 1.0028375559247837
Energy: 0.8079114386353043
Energy: 0.9358945782117685
Energy: 0.8350136222363973
Energy: 0.9080057186486159
Energy: 0.8544726210931914
Energy: 0.9274649596852873
Energy: 0.8350136222375485
Energy: 0.9080057186491917
Energy: 0.85447262109204
Energy: 0.93476218454775
Energy: 0.8116806424339739
Energy: 0.9080655978662131
Energy: 0.8789187449655962
Energy: 0.9347621845471743
Energy: 0.8116806424362765
Energy: 0.9080655978679399
Energy: 0.8420341898765205
Energy: 0.928544036686696
Energy: 0.8163858956703768
Energy: 0.848577304728274
Energy: 0.8420341898765205
Energy: 0.9285440366849691
Energy: 0.8163858956703768
Energy: 0.8867238680090758
Energy: 0.7990007998233806
Energy: 0.8962301111851643
Energy: 0.8806859360405115
Energy: 0.8867238680090758
Energy: 0.7990007998233806
Energy: 0.8962301111857399
Energy: 0.8408864202858994
Energy: 0.8214384524683093
Energy: 0.7822553731878734
Energy: 0.8215312043991306
Energy: 0.8408864202858994
Energy: 0.8214384524683093
Energy: 0.7822553731884491
Energy: 0.8867740959061238
Energy: 0.8806686194175867
Energy: 0.8967130793090787
Energy: 0.7990757758551291
Energy: 0.8867740959061238
Energy: 0.8806686194187118
Energy: 0.8967130793079273
Energy: 0.8337723960084541
Energy: 0.8488331788318556
Energy: 0.8159147820516826
Energy: 0.9286767221709821
Energy: 0.8337723960061515
Energy: 0.8488331788318556
Energy: 0.8159147820505314
Energy: 0.9348940984791169
Energy: 0.8789108528198147
Energy: 0.9067718718880031
Energy: 0.811742129740175
Energy: 0.9348940984791169
Energy: 0.8789108528209659
Energy: 0.9067718718857005
Energy: 0.8349239010453784
Energy: 0.9275852804278795
Energy: 0.8539791485831345
Energy: 0.9079924911049216
Energy: 0.8349239010465298
Energy: 0.9275852804284551
Energy: 0.8539791485831345
Energy: 1.002613402833566
Energy: 0.7161218033145004
Energy: 0.8936097142493663
Energy: 0.8080574879354392
Energy: 1.0026134028347171
Energy: 0.7161218033145004
Energy: 0.9029846169924566

minimum gb energy = 0.7146669710057759 eV
minimum distance =  2.30067065064052 Angstroms
sigma value = 113


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

Energy: 0.8302272351335346
Energy: 0.9945088657666427
Energy: 0.7247175376859164
Energy: 0.9158030803268944
Energy: 0.8302272351303218
Energy: 0.9945088657634301
Energy: 0.7634728790997193
Energy: 0.9346377405030851
Energy: -0.7749150489496953
Energy: 1.0547415737685608
Energy: 0.9235952598927881
Energy: 0.9346377404998726
Energy: -0.7748771481453238
Energy: 1.054741573774986
Energy: 0.8693164463772326
Energy: -0.9565480643744857
Energy: 0.9461141790823584
Energy: 0.8628737324146296
Energy: 0.8693164463772326
Energy: -0.9558457448770914
Energy: 0.9461141790855709
Energy: 0.8216201851951799
Energy: 0.8643030484473928
Energy: 0.8067947402805583
Energy: 0.841332363147106
Energy: 0.8216201851983924
Energy: 0.864303048453818
Energy: 0.8067947403126843
Energy: 0.8785919326487263
Energy: 0.8260780194408102
Energy: 0.8655332931754566
Energy: 0.7337619472908177
Energy: 0.8785919326519388
Energy: 0.8260780194440229
Energy: 0.8655332931754566
Energy: 0.7951650913560014
Energy: 0.8519830599094851
Energy: 0.9616556441324525
Energy: 0.7942841596048291
Energy: 0.7951650913527888
Energy: 0.8519830599094851
Energy: 0.9616556441292399
Energy: 0.8221344808252627
Energy: 0.8240087086654233
Energy: 0.8095026194045118
Energy: 0.7856113002793793
Energy: 0.8221344808252627
Energy: 0.8240087086622108
Energy: 0.8095026194045118
Energy: 0.7823394758130243
Energy: 0.7906665346903222
Energy: 1.0204191294747262
Energy: 0.7983920298600236
Energy: 0.7823394758130243
Energy: 0.7906665346871096
Energy: 1.020419129471572
Energy: 0.816887080929699
Energy: 0.8279820924129486
Energy: 0.8645526333889134
Energy: 0.7844510712881294
Energy: 0.8168870809232738
Energy: 0.827982092409736
Energy: 0.8645526333889134
Energy: 0.7835756405159938
Energy: 0.7862791121157869
Energy: 0.8282450579618934
Energy: 0.7899811550829275
Energy: 0.7835756405192065
Energy: 0.7862791121157869
Energy: 0.8282450579458304
Energy: 0.8286335075904776
Energy: 0.842093879894807
Energy: 0.7920569994943031
Energy: 0.8121719448500528
Energy: 0.8286335075936901
Energy: 0.8420938798883818
Energy: 0.8487119969085248
Energy: 0.7810937460957661
Energy: 0.7817662573545945
Energy: 0.8977243538302837
Energy: 0.7820831517452834
Energy: 0.7810937460989787
Energy: 0.7817662573513818
Energy: 0.8977243539041149
Energy: 0.841196679507882
Energy: 0.8649091039194996
Energy: 0.808428695947609
Energy: 0.8309058382627146
Energy: 0.8411966795046695
Energy: 0.8649091039162871
Energy: 0.8084286959379712
Energy: 0.7550782717802907
Energy: 0.7975359696657215
Energy: 1.0055170900106718
Energy: 0.8031100757345042
Energy: 0.7550782717802907
Energy: 0.7975359696625088
Energy: 1.005517090007459
Energy: 0.8247025819988499
Energy: 0.8666953640280431
Energy: 0.8084686934265781
Energy: 0.8140229037000265
Energy: 0.8247025819988499
Energy: 0.866695364021618
Energy: 0.8084686933688099
Energy: 0.755216872174858
Energy: 0.7822168977447843
Energy: 0.8648174460876391
Energy: 0.7931348249093798
Energy: 0.755216872174858
Energy: 0.7822168977415718
Energy: 0.8648174460008994
Energy: 0.7950034743145544
Energy: 0.8651803828909879
Energy: 0.8460393508831282
Energy: 0.8376883318295698
Energy: 0.7950034743081292
Energy: 0.8651803828942006
Energy: 0.8369903107592052
Energy: 0.7818402304062011
Energy: 0.779820464117578
Energy: 0.7417955395030752
Energy: 0.7743329115914422
Energy: 0.7818402304094136
Energy: 0.7798204641207906
Energy: 0.7417955394998624
Energy: 0.7775676781938332
Energy: 0.800037683440103
Energy: 0.8848970002850067
Energy: 0.8774681822412923
Energy: 0.7775676781874081
Energy: 0.8000376834337362
Energy: 0.8848970002914319
Energy: 0.8269952607354083
Energy: 0.782379194391453
Energy: 0.6985754441003265
Energy: 0.7767458550094929
Energy: 0.8269952607354083
Energy: 0.782379194391453
Energy: 0.6985754440939013
Energy: 0.7898184511689038
Energy: 0.7882126196817253
Energy: 0.9604899830865927
Energy: 0.8846548803601351
Energy: 0.7898184511624787
Energy: 0.7882126196753001
Energy: 0.9604899830865927
Energy: 0.8289670484722186
Energy: 0.7847050041089716
Energy: 0.7312548273079096
Energy: 0.7847016940441479
Energy: 0.8289670484722186
Energy: 0.7847050041089716
Energy: 0.7312548273079096
Energy: 0.788762554649108
Energy: 0.8092524653686731
Energy: 0.8089736342012528
Energy: 0.9343412710957556
Energy: 0.788762554642683
Energy: 0.8092524653686731
Energy: 0.8760040969755817
Energy: 0.7927742016950547
Energy: 0.8440852189630519
Energy: 0.7742603220953247
Energy: 0.7778092890035683
Energy: 0.7927742016950547
Energy: 0.8440852189694771
Energy: 0.7742603220921123
Energy: 0.8119039600511856
Energy: 0.8326306172606853
Energy: 0.8195107111673426
Energy: 1.0128698292523302
Energy: 0.811903960054398
Energy: 0.8326306172606853
Energy: 0.8195107111737678
Energy: 0.837040853831913
Energy: 0.8179078844324813
Energy: 0.7819492144114376
Energy: 0.7359813049538496
Energy: 0.8370408538351256
Energy: 0.8179078844324813
Energy: 0.7819492144178629
Energy: 0.8896307108555047
Energy: 0.8474956909429349
Energy: 0.8565208788519912
Energy: 0.7584515988935605
Energy: 0.8896307108522921
Energy: 0.8474956909429349
Energy: 0.8565208787877979
Energy: 0.8520478868351965
Energy: 0.8811589490910723
Energy: 0.8530413024757763
Energy: 0.75029798006416
Energy: 0.8520478868384089
Energy: 0.881158949097439
Energy: 0.8530413024757763
Energy: -0.43932277298388867
Energy: 0.8478719729004695
Energy: 0.855928828033577
Energy: 0.8915542956264958
Energy: -0.43932290949034825
Energy: 0.847871972897257
Energy: 0.8559288280367894
Energy: 0.8693629494064081
Energy: 0.8881516240941838
Energy: 0.8147602239578028
Energy: 0.7219813280530816
Energy: 0.8693629494128333
Energy: 0.8881516240941838
Energy: 0.8147602239642278
Energy: 0.835636269477804
Energy: 0.8619823639430784
Energy: 0.9615859996114546
Energy: 0.719003779343945
Energy: 0.8356362694810167
Energy: 0.8619823639398658
Energy: 0.9615859996082421
Energy: 0.8550684921926442
Energy: 0.844451253437668
Energy: 0.7614178756047496
Energy: 0.8229196626190429
Energy: 0.8550684921926442
Energy: 0.8444512534440932
Energy: 0.761417875601537
Energy: 0.8024126206971541
Energy: 0.818796047477561
Energy: 0.8545182439728162
Energy: 0.8507930178110226
Energy: 0.8024126207003668
Energy: 0.8187960474743484
Energy: 0.8545182439760287
Energy: 0.9098120335680286
Energy: 0.7833470199414423
Energy: 0.817291832836835
Energy: 0.8439902995478161
Energy: 0.9098120335616035
Energy: 0.7833470199350171
Energy: 0.8172918328336808
Energy: 0.9602858920629912
Energy: 0.7649521581855047
Energy: 1.0115337329093717
Energy: 0.8730090490392809
Energy: 0.9602858920629912
Energy: 0.7649521581855047
Energy: 1.0115337329093717
Energy: 0.8983292437135959
Energy: 0.839392261202336
Energy: 0.8128655518378473
Energy: 0.8409725915006211
Energy: 0.8983292437135959
Energy: 0.8393922611991232
Energy: 0.8128655518378473
Energy: 0.9596370391650814
Energy: 0.8651143928929894
Energy: 0.8647279569689689
Energy: 0.8681941756921637
Energy: 0.9596370391586562
Energy: 0.8651143928994147
Energy: 0.8647279569657561
Energy: 0.8076944170681579
Energy: 0.8402180531667846
Energy: 0.7771495701685931
Energy: 0.8465606027296153
Energy: 0.8076944170713704
Energy: 0.8402180531699971
Energy: 0.7771495701653804
Energy: 0.8711151678251046
Energy: 0.8861332509485788
Energy: 0.7794018851701338
Energy: 0.9054166677707703
Energy: 0.8711151678218919
Energy: 0.8861332509517913
Energy: 0.7794018851701338
Energy: 0.8079206971563854
Energy: 0.8347652623851133
Energy: 0.764124133105185
Energy: 0.7969067570178238
Energy: 0.8079206971595979
Energy: 0.8347652623786881
Energy: 0.7641241331083978
Energy: 0.811033344031956
Energy: 0.8438132917201668
Energy: 0.8069637116122738
Energy: 0.9302657880080093
Energy: 0.811033344031956
Energy: 0.8438132917169542
Energy: 0.8069637116090612
Energy: 0.8077337589485193
Energy: 0.8741786949075668
Energy: 1.025009766460451
Energy: 0.8208244586810759
Energy: 0.8077337589453069
Energy: 0.8741786949075668
Energy: 1.0250097664572386
Energy: 0.7522774178287748
Energy: 0.8448572249854982
Energy: 0.7413166594976223
Energy: 0.9327775320789816
Energy: 0.7522774178319874
Energy: 0.8448572249887109
Energy: 0.7413166594847719
Energy: 0.8049193493534492
Energy: 0.8725555007248587
Energy: 0.9593648108148501
Energy: 0.839014245472661
Energy: 0.8049193493534492
Energy: 0.8725555007216459
Energy: 0.9593648108148501
Energy: 0.7862548279194227
Energy: 0.8438056608165448
Energy: 0.7870479544355031
Energy: 0.9223155939107682
Energy: 0.7862548279226353
Energy: 0.8438056608197574
Energy: 0.787047954429078

minimum gb energy = -0.9565480643744857 eV
minimum distance =  2.21928539697319 Angstroms
sigma value = 365


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

Energy: 0.7790759450476813
Energy: 0.29996947430341664
Energy: 0.9963355165239917
Energy: 0.29996947430486526
Energy: 0.7790759450462329
Energy: 0.2999694743055896
Energy: 0.3919708912880654
Energy: 0.7790759450455085
Energy: 0.29996947430631393
Energy: 0.7387981685934117
Energy: 0.29996947430414095
Energy: 0.779075945046957
Energy: 0.29996947430414095
Energy: 0.3917373208673523
Energy: 0.7790759450455085
Energy: 0.29996947430486526
Energy: 0.31043379914284397
Energy: 0.29996947430486526
Energy: 0.779075945046957
Energy: 0.29996947430486526
Energy: 0.6227076075398513
Energy: 0.7790759450476813
Energy: 0.299969474301968
Energy: 0.6355448274044401
Energy: 0.2999694743055896
Energy: 0.779075945046957
Energy: 0.2999694743055896
Energy: 0.39170350945734655
Energy: 0.7790759450455085
Energy: 0.29996947430631393
Energy: 0.9673708752149782
Energy: 0.29996947430486526
Energy: 0.7790759450476813
Energy: 0.29996947430414095
Energy: 0.3917594766714604
Energy: 0.7790759450455085
Energy: 0.29996947430486526
Energy: 0.6227048324791798
Energy: 0.29996947430341664
Energy: 0.7790759450476813
Energy: 0.29996947430414095
Energy: 0.6227066948598982
Energy: 0.779075945046957
Energy: 0.29996947430414095
Energy: 0.6667400143048553
Energy: 0.2999694743055896
Energy: 0.7790759450462329
Energy: 0.29996947430486526
Energy: 0.3918877783609543
Energy: 0.7790759450462329
Energy: 0.2999694743055896
Energy: 0.6452005702533292
Energy: 0.29996947430414095
Energy: 0.7790759450476813
Energy: 0.29996947430486526
Energy: 0.3918673933288928
Energy: 0.7790759450455085
Energy: 0.29996947430486526
Energy: 0.6691052527110455
Energy: 0.29996947430414095
Energy: 0.779075945046957
Energy: 0.29996947430486526
Energy: 0.6226972483493559
Energy: 0.7790759450476813
Energy: 0.29996947430341664
Energy: 0.6231448064379355
Energy: 0.2999694743055896
Energy: 0.779075945046957
Energy: 0.29996947430486526
Energy: 0.3923303051685585
Energy: 0.7790759450455085
Energy: 0.2999694743055896
Energy: 0.6359802001143602
Energy: 0.29996947430486526
Energy: 0.7790759450476813
Energy: 0.29996947430486526
Energy: 0.39183648604567445
Energy: 0.7790759450462329
Energy: 0.29996947430414095
Energy: 0.6231315280789066
Energy: 0.29996947430486526
Energy: 0.779075945046957
Energy: 0.29996947430414095
Energy: 0.623139563771748
Energy: 0.7790759450476813
Energy: 0.29996947430414095
Energy: 0.3917354537813658
Energy: 0.29996947430486526
Energy: 0.779075945046957
Energy: 0.2999694743055896
Energy: 0.39182826983301433
Energy: 0.7790759450455085
Energy: 0.29996947430486526
Energy: 0.3916759905589535
Energy: 0.29996947430414095
Energy: 0.7790759450476813
Energy: 0.29996947430486526
Energy: 0.39172501284951605
Energy: 0.7790759450455085
Energy: 0.29996947430486526
Energy: 0.39174905371714924
Energy: 0.29996947430486526
Energy: 0.779075945046957
Energy: 0.2999694743055896
Energy: 0.39180866734474223
Energy: 0.7790759450484057
Energy: 0.29996947430341664
Energy: 0.39188827198527937
Energy: 0.29996947430486526
Energy: 0.779075945046957
Energy: 0.2999694743055896
Energy: 0.3917220674194199
Energy: 0.7790759450462329
Energy: 0.29996947430631393
Energy: 0.3918143639494138
Energy: 0.29996947430414095
Energy: 0.7790759450476813
Energy: 0.29996947430486526
Energy: 0.39168416532353983
Energy: 0.7790759450462329
Energy: 0.29996947430414095
Energy: 0.39183576717232954
Energy: 0.29996947430414095
Energy: 0.779075945046957
Energy: 0.29996947430486526
Energy: 0.3917917318251996
Energy: 0.7790759450476813
Energy: 0.29996947430486526
Energy: 0.3918646901552298
Energy: 0.29996947430486526
Energy: 0.779075945046957
Energy: 0.29996947430414095
Energy: 0.39183212933747447
Energy: 0.7790759450462329
Energy: 0.2999694743055896
Energy: 0.3918604453051949
Energy: 0.29996947430414095
Energy: 0.7790759450476813
Energy: 0.29996947430486526
Energy: 0.39189112441874613

minimum gb energy = 0.299969474301968 eV
minimum distance =  2.41932173853004 Angstroms
sigma value = 23