Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_000
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=5.770453791788741
mass=63.546
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: 0.023267448416702235
Energy: 0.584689354850107
Energy: 0.9892544630939485
Energy: 0.5847148692711647
Energy: 0.023267448414570128
Energy: 0.584689354850107
Energy: 0.3231755918131732
Energy: 0.592244579862379
Energy: 0.023731869043804206
Energy: 1.9590152849084221
Energy: 0.02395078842008276
Energy: 0.5922445798645111
Energy: 0.023731869043804206
Energy: 1.9590152849062903
Energy: 0.023267448416702235
Energy: 0.584689354850107
Energy: 0.9892544630939485
Energy: 0.5847148692711647
Energy: 0.023267448414570128
Energy: 0.584689354850107
Energy: 0.3231755918131732
Energy: 0.592244579862379
Energy: 0.023731869043804206
Energy: 1.9590152849084221
Energy: 0.023950788422214868
Energy: 0.5922445798645111
Energy: 0.023731869043804206
Energy: 1.9590152849062903
Energy: 0.023267448416702235
Energy: 0.584689354850107
Energy: 0.3231755918153053
Energy: 0.5847148692711647
Energy: 0.023267448414570128
Energy: 0.584689354850107
Energy: 0.3231755918131732
Energy: 0.592244579862379
Energy: 0.023731869043804206
Energy: 1.9590152849062903
Energy: 0.02395078842008276
Energy: 0.5922445798645111
Energy: 0.023731869043804206
Energy: 1.9590152849062903

minimum gb energy = 0.023267448414570128 eV
minimum distance =  2.65859842575818 Angstroms
sigma value = 5


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

Energy: 1.7715034994766203
Energy: 2.0032711030125463
Energy: 1.9894670807114603
Energy: 2.0303051801904726
Energy: 1.7715034994791778
Energy: 2.0032711030125463
Energy: 1.989467080708903
Energy: 1.6703363471791284
Energy: 1.7536294326888333
Energy: 2.0375092201718834
Energy: 1.7424078099434805
Energy: 1.6703363471816857
Energy: 1.753629432694043
Energy: 2.037509220169231
Energy: 1.6809307342133322
Energy: 1.7929245074920648
Energy: 2.096112998746439
Energy: 1.741819509235959
Energy: 1.6809307342081226
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Energy: 2.096112998746439
Energy: 1.8356465978320036
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Energy: 2.0619511332340528
Energy: 1.7975840135246428
Energy: 1.835646597826794
Energy: 1.9860508972790756
Energy: 2.0619511332392624
Energy: 1.705969257080682
Energy: 1.6079129972108197
Energy: 2.12368847356162
Energy: 1.7635426649526467
Energy: 1.705969257080682
Energy: 1.6079129972108197
Energy: 2.12368847356162
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Energy: 1.8677239178808929
Energy: 2.0705539843243175
Energy: 1.6411778193519382
Energy: 1.8421200956255288
Energy: 2.122040532271105
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Energy: 1.6411778193519382
Energy: 1.8421200956307382
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Energy: 1.6552455687853995
Energy: 1.7215550302932552
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Energy: 1.7692006231662727
Energy: 1.6552455687906091
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Energy: 1.8360118853169478
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Energy: 1.9809727722339212
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Energy: 1.9996548799899494
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Energy: 1.751970566631529
Energy: 1.9805961608394946
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Energy: 1.7519705666340866
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Energy: 1.8124374483028802
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Energy: 1.9122094189377692
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Energy: 1.8266182537551523
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Energy: 1.8250861465981385
Energy: 1.900442172558594
Energy: 2.092912162289266
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Energy: 1.8250861466007906
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Energy: 1.674337208981569
Energy: 1.777374693792441
Energy: 2.056545917059136
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Energy: 1.814624644701559
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Energy: 1.878573069469827
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Energy: 1.8785730694723846
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Energy: 1.8909271170038915
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Energy: 1.6718843658890759
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Energy: 2.1570641142981177
Energy: 1.6127899470252283
Energy: 1.663216108513015
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Energy: 1.612789947022671
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Energy: 1.7378850945570072
Energy: 1.7403079089739333
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Energy: 2.043771143289963
Energy: 1.811559906715926
Energy: 1.7319157885825138
Energy: 1.7745973121770393
Energy: 2.043771143292615
Energy: 1.6078324234295807
Energy: 1.738510666642875
Energy: 2.0956343976861618
Energy: 1.79329967504648
Energy: 1.6078324234295807
Energy: 1.738510666642875
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Energy: 1.7341445801616462
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Energy: 2.0487108524784134
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Energy: 1.9011262030764475
Energy: 1.719451352991642
Energy: 1.9102010417604844
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Energy: 1.6743738880969772
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Energy: 1.9432393751925177
Energy: 1.7892163094329738
Energy: 1.6743738880969772
Energy: 1.7476977259646236
Energy: 1.9432393751898656
Energy: 1.7121708246908691
Energy: 1.7633082091130337
Energy: 2.035585853944367
Energy: 1.8148276270544357
Energy: 1.7121708246934269
Energy: 1.7633082091130337
Energy: 2.0355858539469245
Energy: 1.8623824498859802
Energy: 1.769957070180162
Energy: 2.0500444169800875
Energy: 1.869298156720371
Energy: 1.862382449888632
Energy: 1.769957070180162
Energy: 2.05004441697753
Energy: 1.6559158377432033
Energy: 1.8335388564712125
Energy: 2.1142076738771576
Energy: 1.7599628967497452
Energy: 1.6559158377432033
Energy: 1.8335388564738646
Energy: 2.1142076738771576
Energy: 1.6966495365073604
Energy: 1.7887391476976238
Energy: 2.0549188474378437
Energy: 1.7529486487160726
Energy: 1.6966495365073604
Energy: 1.7887391476949717
Energy: 2.0549188474404017
Energy: 1.7492537836499484
Energy: 1.7985098748962298
Energy: 2.2625526057570693
Energy: 1.9476605354190342
Energy: 1.7492537836499484
Energy: 1.7985098748987873
Energy: 2.2625526057597214
Energy: 1.630233810913312
Energy: 1.725484972093898
Energy: 2.077255216153466
Energy: 1.7403812026961065
Energy: 1.630233810905545
Energy: 1.725484972091246
Energy: 2.077255216156118

minimum gb energy = 1.5954502545673221 eV
minimum distance =  2.50051673782444 Angstroms
sigma value = 401


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

Energy: 1.5978664038825674
Energy: 1.8349062578493764
Energy: 2.092376098359098
Energy: 1.8224726063975798
Energy: 1.597866403876654
Energy: 1.834906257852333
Energy: 2.106955320051103
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Energy: 1.8011407038879912
Energy: 1.69874911016712
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Energy: 1.7839266970989158
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Energy: 2.040776124821397
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Energy: 1.8287234340580814
Energy: 2.0407761248273104
Energy: 1.601047423210791
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Energy: 2.049379589829154
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Energy: 1.7825616326023437
Energy: 2.0493795898232405
Energy: 1.5978664038825674
Energy: 1.834906257852333
Energy: 2.106955320048147
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Energy: 1.5987449038640709
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Energy: 1.9090474945471485
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Energy: 1.7264847357100157
Energy: 1.9461940528783408
Energy: 1.8290318457805579
Energy: 1.7137239637611517
Energy: 1.7264847357129722
Energy: 1.9461940528783408
Energy: 1.7944088552639534
Energy: 1.7115474671965982
Energy: 1.8011407038879912
Energy: 1.698749110164163
Energy: 1.794408855260997
Energy: 1.7115474671965982
Energy: 1.8011407038820777
Energy: 1.8033101214398475
Energy: 1.7196818003239447
Energy: 2.0417203650915186
Energy: 1.7839266970989158
Energy: 1.8033101214428042
Energy: 1.719681800320988
Energy: 2.0417203650944753
Energy: 1.6035949271852308
Energy: 1.7002273148585834
Energy: 2.17556950159574
Energy: 1.8490086816053937
Energy: 1.6035949271881873
Energy: 1.7002273148585834
Energy: 2.175569501592783
Energy: 1.5910049144887013
Energy: 2.0125159669308994
Energy: 2.213042798863093
Energy: 1.8433242780037808
Energy: 1.5910049144916578
Energy: 2.012515966933856
Energy: 2.2130427988690067
Energy: 1.5909496592525945
Energy: 1.84382891054301
Energy: 2.2142287008398305
Energy: 2.012475822639752
Energy: 1.590949659249638
Energy: 1.8438289105400532
Energy: 2.214228700836874
Energy: 1.603555227535173
Energy: 1.8498711400037984
Energy: 2.0791544891047677
Energy: 1.700582362925188
Energy: 1.603555227535173
Energy: 1.8498711399949284
Energy: 2.0791544890988547
Energy: 1.803195155528484
Energy: 1.7842122210453302
Energy: 1.6860298783238838
Energy: 1.719595958819259
Energy: 1.8031951555255272
Energy: 1.784212221039417
Energy: 1.6860298783327539
Energy: 1.7944913387299435
Energy: 1.6991200343167507
Energy: 1.8395070763071466
Energy: 1.7030534216412139
Energy: 1.7944913387299435
Energy: 1.6991200343167507
Energy: 1.8395070763041896
Energy: 1.713924698651972
Energy: 1.8287234340580814
Energy: 2.040776124821397
Energy: 1.726409631155766
Energy: 1.713924698657832
Energy: 1.8287234340580814
Energy: 2.0407761248273104
Energy: 1.601047423210791
Energy: 1.7825616325964302
Energy: 2.0493795898261973
Energy: 1.7321299939740447
Energy: 1.6010474232167042
Energy: 1.7825616326023437
Energy: 2.0493795898232405
Energy: 1.5978664038825674
Energy: 1.8349062578493764
Energy: 2.106955320048147
Energy: 1.8224726063975798
Energy: 1.597866403876654
Energy: 1.834906257852333
Energy: 2.1069553200540603
Energy: 1.5987449038640709
Energy: 1.7327141961678802
Energy: 1.9090474945471485
Energy: 1.7826793138146937
Energy: 1.5987449038699844
Energy: 1.7327141961649237
Energy: 1.9090474945471485

minimum gb energy = 1.590949659249638 eV
minimum distance =  2.52260962706882 Angstroms
sigma value = 311


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

Energy: 1.8384401391809526
Energy: 1.7680007328858311
Energy: 2.1425266265559353
Energy: 1.7681822330873238
Energy: 1.8384401391823182
Energy: 1.7680007328885625
Energy: 2.0456828824648605
Energy: 1.7500821846250367
Energy: 1.8051299941031174
Energy: 1.9431947510470666
Energy: 1.8810573595815923
Energy: 1.7500821846267438
Energy: 1.8051299941034586
Energy: 1.9431947510467253
Energy: 1.7586239072609802
Energy: 1.8432465562007463
Energy: 1.91294515664708
Energy: 1.7756046069388418
Energy: 1.7586239072620045
Energy: 1.8432465561993807
Energy: 1.9129451566463975
Energy: 1.7447059978768207
Energy: 1.722777375841603
Energy: 2.112896956155721
Energy: 1.7405562606433889
Energy: 1.7447059978757964
Energy: 1.7227773758429685
Energy: 2.1128969561533313
Energy: 1.7936151432263787
Energy: 1.849193699062474
Energy: 2.1586201073776725
Energy: 1.7532878163207208
Energy: 1.793615143226037
Energy: 1.849193699062474
Energy: 2.158620107379038
Energy: 1.7683494199397731
Energy: 1.72101093315954
Energy: 1.9697710893354918
Energy: 1.7564183888159906
Energy: 1.7683494199390903
Energy: 1.7210109331581747
Energy: 1.969771089333102
Energy: 1.7621460037618524
Energy: 1.9931494599741069
Energy: 2.0600280011681074
Energy: 1.8403717713267567
Energy: 1.7621460037604866
Energy: 1.9931494599761554
Energy: 2.039932111456573
Energy: 1.6957277128077926
Energy: 1.7704128064281457
Energy: 2.227635102124846
Energy: 1.7038845469536625
Energy: 1.6957277128077926
Energy: 1.770412806428487
Energy: 2.227635102124505
Energy: 1.7576789857803057
Energy: 1.7609547354319308
Energy: 2.1080998761749528
Energy: 1.9208699619535883
Energy: 1.7576789857799644
Energy: 1.7609547354322725
Energy: 2.1080998761749528
Energy: 1.6927006644630227
Energy: 1.8150911315185019
Energy: 2.1736653073711145
Energy: 1.948039904161957
Energy: 1.6927006644616571
Energy: 1.8150911315188432
Energy: 2.1736653073731627
Energy: 1.834230993843599
Energy: 1.861516292444407
Energy: 1.9123239974030437
Energy: 1.6878531146309665
Energy: 1.8342309938432577
Energy: 1.8615162924457727
Energy: 1.9123239974030437
Energy: 1.719294554174117
Energy: 1.8258304848642533
Energy: 2.1528993462944754
Energy: 1.7237809959976877
Energy: 1.7192945541744586
Energy: 1.8258304848625466
Energy: 2.1528993462944754
Energy: 1.7839114427861404
Energy: 1.7259819615408842
Energy: 1.9504353466940203
Energy: 1.77743485265319
Energy: 1.7839114427837506
Energy: 1.7259819615408842
Energy: 1.950435346693679
Energy: 1.6180624944122204
Energy: 1.8182341249010263
Energy: 2.0573140718745067
Energy: 1.8182536418878676
Energy: 1.6180624944139272
Energy: 1.8182341249023917
Energy: 2.0573140718758722
Energy: 1.777635005067883
Energy: 1.7893712052846806
Energy: 1.9654989583964604
Energy: 1.742731294706673
Energy: 1.777635005066176
Energy: 1.7893712052836563
Energy: 1.9654989583957776
Energy: 1.719949262125499
Energy: 1.7267863427434242
Energy: 2.134335234404641
Energy: 1.8265226866068152
Energy: 1.7199492621261816
Energy: 1.7267863427444485
Energy: 2.1343352344063478
Energy: 1.8342251619149215
Energy: 1.6879029834505712
Energy: 1.9124708478064048
Energy: 1.860960843240388
Energy: 1.83422516191458
Energy: 1.68790298345023
Energy: 1.9124708478053805
Energy: 1.6926630329786851
Energy: 1.9506596325726444
Energy: 2.173703076215518
Energy: 1.8150358489882925
Energy: 1.6926630329780024
Energy: 1.9506596325733274
Energy: 2.1737030762144935
Energy: 1.7575189293359257
Energy: 1.966764849676452
Energy: 2.1731613094499895
Energy: 1.7609929757017848
Energy: 1.757518929336267
Energy: 1.966764849676452
Energy: 2.1731613094516966
Energy: 1.6742052546383424
Energy: 1.7043886709670695
Energy: 2.2275597510909817
Energy: 1.7704954310544816
Energy: 1.674205254637318
Energy: 1.7043886709704836
Energy: 2.2275597510916647
Energy: 1.7621377199187982
Energy: 1.8407557740188287
Energy: 2.0950713499884897
Energy: 1.9930743235373884
Energy: 1.7621377199187982
Energy: 1.8407557740167804
Energy: 2.0728792940895513
Energy: 1.768442334564793
Energy: 1.7568344800075069
Energy: 1.9172831879672483
Energy: 1.7210661434745982
Energy: 1.7684423345634273
Energy: 1.7568344800071654
Energy: 1.9172831879669068
Energy: 1.7936305734112783
Energy: 1.7511172091906315
Energy: 2.215006644159122
Energy: 1.8489889643115098
Energy: 1.7936305734119613
Energy: 1.7511172091899485
Energy: 2.2150066441587803
Energy: 1.7447183391824062
Energy: 1.7401295083588089
Energy: 2.112695235675665
Energy: 1.711355836758115
Energy: 1.744718339184113
Energy: 1.7401295083577843
Energy: 2.1126952356753237
Energy: 1.7702514941500356
Energy: 1.775644935477025
Energy: 2.107677194171001
Energy: 1.84371862284401
Energy: 1.770251494146963
Energy: 1.7756449354756592
Energy: 2.080590024667706
Energy: 1.7498225313755185
Energy: 1.881029189585137
Energy: 1.943172148419468
Energy: 1.8050036003337344
Energy: 1.7498225313751772
Energy: 1.8810291895841127
Energy: 1.9431721484181024
Energy: 1.8384401391809526
Energy: 1.7680007328875385
Energy: 2.150071181365078
Energy: 1.768182233086641
Energy: 1.8384401391833425
Energy: 1.7680007328885625
Energy: 2.15205839264749
Energy: 1.750082184625378
Energy: 1.8051299941031174
Energy: 1.94319475104536
Energy: 1.8810573595802262
Energy: 1.7500821846267438
Energy: 1.8051299941038004
Energy: 1.9431947510477499
Energy: 1.7586239072616632
Energy: 1.843246556200405
Energy: 1.9129451566463975
Energy: 1.7756046069395248
Energy: 1.7586239072602976
Energy: 1.8432465562000637
Energy: 1.9129451566457145
Energy: 1.7447059978785275
Energy: 1.72277737584331
Energy: 2.112896956154697
Energy: 1.7405562606423648
Energy: 1.7447059978754549
Energy: 1.722777375842286
Energy: 2.1128969561533313
Energy: 1.7936151432274028
Energy: 1.8491936990628153
Energy: 2.158620107379038
Energy: 1.7532878163203793
Energy: 1.793615143226037
Energy: 1.849193699061791
Energy: 2.1586201073776725
Energy: 1.7683494199394316
Energy: 1.72101093315954
Energy: 1.9697710893341263
Energy: 1.7564183888159906
Energy: 1.7683494199390903
Energy: 1.721010933160223
Energy: 1.9697710893337845
Energy: 1.762146003760828
Energy: 1.9931494599758142
Energy: 2.03993211145589
Energy: 1.8403717713257324
Energy: 1.7621460037618524
Energy: 1.99314945997479
Energy: 2.0399321114572557
Energy: 1.6957277128077926
Energy: 1.7704128064288283
Energy: 2.2276351021251877
Energy: 1.7038845469543453
Energy: 1.6957277128084751
Energy: 1.770412806428487
Energy: 2.2276351021241636
Energy: 1.7576789857799644
Energy: 1.7609547354312483
Energy: 2.098690421309127
Energy: 1.9208699619529055
Energy: 1.7576789857803057
Energy: 1.7609547354329553
Energy: 2.098690421309127
Energy: 1.6927006644623401
Energy: 1.8150911315195262
Energy: 2.173665307371797
Energy: 1.9480399041609324
Energy: 1.6927006644623401
Energy: 1.8150911315185019
Energy: 2.1736653073714556

minimum gb energy = 1.6180624944122204 eV
minimum distance =  2.49947002964573 Angstroms
sigma value = 39


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

Energy: 1.9260319405505884
Energy: 1.737252018273392
Energy: 1.8673703682105336
Energy: 1.7369179408063509
Energy: 1.9260319405501856
Energy: 1.7372520182725861
Energy: 1.8673703682137572
Energy: 1.7170263684770568
Energy: 1.571109307723752
Energy: 2.150415263713928
Energy: 1.6858502249389964
Energy: 1.7170263684778628
Energy: 1.5711093077318103
Energy: 2.150415263715137
Energy: 1.9258456710353349
Energy: 1.5193302091335852
Energy: 2.0080057329568244
Energy: 1.7052778583709052
Energy: 1.9258456710333203
Energy: 1.5193302091311678
Energy: 2.008005732956019
Energy: 1.8547940109531684
Energy: 1.567893875622492
Energy: 1.9939999317545827
Energy: 1.833899678810761
Energy: 1.8547940109511536
Energy: 1.567893875622089
Energy: 1.9939999317561945
Energy: 1.7209523499965016
Energy: 1.7453730828595955
Energy: 1.893391792523508
Energy: 1.7075698101575743
Energy: 1.7209523499956956
Energy: 1.7453730828620133
Energy: 1.893391792523105
Energy: 1.8546580572379725
Energy: 1.8209542668909042
Energy: 2.3225787335793
Energy: 1.8699913640679489
Energy: 1.8546580572399873
Energy: 1.820954266893322
Energy: 2.3225787335793
Energy: 1.7827291737756692
Energy: 1.7564866663565142
Energy: 1.7836755775510094
Energy: 1.8818225796757002
Energy: 1.7827291737764752
Energy: 1.7564866663601408
Energy: 1.7610158156644182
Energy: 1.8946268721007122
Energy: 1.6779434364094805
Energy: 1.6803253529181779
Energy: 1.678062317604448
Energy: 1.8946268720982944
Energy: 1.6779434364086745
Energy: 1.6803253529205953
Energy: 1.7827427836272567
Energy: 1.88168433651418
Energy: 1.8020296816474624
Energy: 1.755637810472934
Energy: 1.7827427836292713
Energy: 1.8816843365105538
Energy: 1.8020296816394037
Energy: 1.8547408217807373
Energy: 1.8702073733740296
Energy: 2.323091711120446
Energy: 1.8210256466211607
Energy: 1.8547408217783197
Energy: 1.870207373371612
Energy: 2.3230917111196403
Energy: 1.7207534144853371
Energy: 1.7074275383082127
Energy: 2.2256243843999126
Energy: 1.850740176281056
Energy: 1.720753414483359
Energy: 1.7074275383090185
Energy: 2.2046688264533087
Energy: 1.854876265291158
Energy: 1.8339543499728346
Energy: 1.993887447530805
Energy: 1.5677138618793975
Energy: 1.8548762652923667
Energy: 1.8339543499720288
Energy: 1.9938874475304023
Energy: 1.9258229276713776
Energy: 1.7067058248677134
Energy: 1.9806296340342902
Energy: 1.5194951331607243
Energy: 1.9258229276705716
Energy: 1.7067058248673104
Energy: 1.8397582375510113
Energy: 1.7169410846340754
Energy: 1.685785756750492
Energy: 2.1507266953167443
Energy: 1.5652101222144663
Energy: 1.7169410846324638
Energy: 1.6857857567512975
Energy: 2.1507266953155355
Energy: 1.9260319405505884
Energy: 1.737252018273392
Energy: 1.867370368208519
Energy: 1.7369179408091713
Energy: 1.9260319405497826
Energy: 1.73725201827178
Energy: 1.8673703682133542
Energy: 1.71702636847746
Energy: 1.5711093077209315
Energy: 2.150415263714331
Energy: 1.6858502249381906
Energy: 1.7170263684782658
Energy: 1.5711093077273781
Energy: 2.150415263713928
Energy: 1.925845671035738
Energy: 1.519330209133988
Energy: 2.008005732956019
Energy: 1.7052778583713082
Energy: 1.925845671034529
Energy: 1.5193302091311678
Energy: 2.0080057329568244
Energy: 1.8547940109539742
Energy: 1.567893875622895
Energy: 1.9939999317537769
Energy: 1.8338996788111641
Energy: 1.8547940109499448
Energy: 1.5678938756212832
Energy: 1.9939999317553887
Energy: 1.7209523499969044
Energy: 1.7453730828599985
Energy: 1.893391792523508
Energy: 1.7075698101567682
Energy: 1.7209523499977102
Energy: 1.7453730828604015
Energy: 1.893391792523508
Energy: 1.8546580572379725
Energy: 1.8209542668917102
Energy: 2.3225787335793
Energy: 1.869991364069158
Energy: 1.8546580572395843
Energy: 1.8209542668937249
Energy: 2.3225787335801056
Energy: 1.782729173776072
Energy: 1.7564866663561114
Energy: 1.7610158156668358
Energy: 1.8818225796736856
Energy: 1.7827291737764752
Energy: 1.7564866663597378
Energy: 1.7610158156632096
Energy: 1.8946268721003092
Energy: 1.6779434364078687
Energy: 1.6803253529181779
Energy: 1.678062317604045
Energy: 1.8946268720986974
Energy: 1.677943436405048
Energy: 1.6803253529185809
Energy: 1.782742783626854
Energy: 1.8816843365117626
Energy: 1.8020296816269128
Energy: 1.755637810473337
Energy: 1.7827427836288685
Energy: 1.88168433651418
Energy: 1.8020296816192574
Energy: 1.8547408217811403
Energy: 1.8702073733744327
Energy: 2.3230917111192366
Energy: 1.8210256466215637
Energy: 1.8547408217783197
Energy: 1.870207373372015
Energy: 2.323091711120043
Energy: 1.720753414484568
Energy: 1.7074275383074067
Energy: 2.18718836223093
Energy: 1.8507401762822648
Energy: 1.720753414484165
Energy: 1.7074275383090185
Energy: 2.1871883622264976
Energy: 1.854876265291158
Energy: 1.8339543499728346
Energy: 1.9938874475291932
Energy: 1.5677138618793975
Energy: 1.854876265291964
Energy: 1.8339543499724318
Energy: 1.9938874475304023
Energy: 1.9258229276709748
Energy: 1.7067058248681162
Energy: 1.8397582375188135
Energy: 1.5194951331607243
Energy: 1.925822927669766
Energy: 1.7067058248693252
Energy: 1.8397582375687402
Energy: 1.7169410846336723
Energy: 1.6857857567500891
Energy: 2.150726695317147
Energy: 1.5652101222188985
Energy: 1.7169410846324638
Energy: 1.685785756753312
Energy: 2.1507266953167443
Energy: 1.9260319405501856
Energy: 1.73725201827178
Energy: 1.867370368209325
Energy: 1.7369179408043363
Energy: 1.9260319405509916
Energy: 1.7372520182721833
Energy: 1.8673703682133542
Energy: 1.7170263684770568
Energy: 1.5711093077225429
Energy: 2.150415263714331
Energy: 1.6858502249393992
Energy: 1.7170263684786686
Energy: 1.5711093077285867
Energy: 2.150415263714331

minimum gb energy = 1.5193302091311678 eV
minimum distance =  2.5109709780133 Angstroms
sigma value = 21


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

Energy: 1.5943251268643392
Energy: 1.96066276731793
Energy: 2.066184465748926
Energy: 1.9600444214430581
Energy: 1.5943251268643392
Energy: 1.96066276731793
Energy: 2.0661844657484365
Energy: 1.8452588128784169
Energy: 1.6234691982049794
Energy: 2.04178431259634
Energy: 1.685363525665921
Energy: 1.845258812878906
Energy: 1.6234691982079141
Energy: 2.0417843125973185
Energy: 1.671675779476434
Energy: 1.7318401335052684
Energy: 2.0652449566156954
Energy: 1.9718246628339242
Energy: 1.6716757794774122
Energy: 1.7318401335067357
Energy: 2.0652449566166737
Energy: 1.7805362668863667
Energy: 1.8475164842410698
Energy: 2.15509535508548
Energy: 1.7160902341101512
Energy: 1.7805362668853884
Energy: 1.8475164842400915
Energy: 2.155095355084012
Energy: 1.5186917400718485
Energy: 1.8906807219708075
Energy: 1.991105585258147
Energy: 1.7717070804148776
Energy: 1.5186917400733158
Energy: 1.890680721968851
Energy: 1.9911055852586361
Energy: 1.816796168841458
Energy: 1.6266075540632252
Energy: 2.215762565926715
Energy: 1.7386883888862608
Energy: 1.8167961688424363
Energy: 1.6266075540617577
Energy: 2.2157625659281828
Energy: 1.7764790506491046
Energy: 1.8648566399721966
Energy: 1.864244681649447
Energy: 1.7823863716398938
Energy: 1.776479050650083
Energy: 1.8648566399707294
Energy: 1.8642446816479796
Energy: 1.7467175781882576
Energy: 1.7977425083844916
Energy: 1.91416929024524
Energy: 1.8290990210183506
Energy: 1.746717578189236
Energy: 1.7977425083840024
Energy: 1.9141692902457292
Energy: 1.7916751356949836
Energy: 1.796317198791444
Energy: 2.2006741749353558
Energy: 1.843274122928142
Energy: 1.7916751356940053
Energy: 1.7963171987909548
Energy: 2.2006741749358447
Energy: 1.7633508490002743
Energy: 1.651891348829481
Energy: 1.904543653560439
Energy: 1.791701390178867
Energy: 1.7633508490017415
Energy: 1.6518913488309483
Energy: 1.904543653558482
Energy: 1.7773214303286182
Energy: 1.8030063733619617
Energy: 2.219572249259929
Energy: 1.742021070531457
Energy: 1.7773214303295966
Energy: 1.8030063733619617
Energy: 2.219572249258951
Energy: 1.6436889830712706
Energy: 1.8424627549176698
Energy: 2.0407856591599502
Energy: 1.902505304508135
Energy: 1.6436889830702925
Energy: 1.8424627549186479
Energy: 2.040785659158972
Energy: 1.7693147292103906
Energy: 1.79602175065262
Energy: 1.944900460998176
Energy: 1.8387194512325316
Energy: 1.7693147292123472
Energy: 1.7960217506511527
Energy: 1.9449004609971978
Energy: 1.7214842232230119
Energy: 1.7012125579920698
Energy: 2.058755458003842
Energy: 1.8701410798460414
Energy: 1.7214842232235013
Energy: 1.7012125579930482
Energy: 2.058755458002375
Energy: 1.8369619864969944
Energy: 1.770068924484219
Energy: 1.8641452259281404
Energy: 1.6796487530424888
Energy: 1.836961986496016
Energy: 1.7700689244851973
Energy: 1.864145225926184
Energy: 1.7031131625456297
Energy: 1.8500295312221502
Energy: 2.276072040645911
Energy: 1.8305334062309684
Energy: 1.7031131625446514
Energy: 1.8500295312221502
Energy: 2.2760720406449324
Energy: 1.7727603999211374
Energy: 1.6952993968100833
Energy: 1.9856716111198331
Energy: 1.6847381348610584
Energy: 1.7727603999226047
Energy: 1.695299396809105
Energy: 1.9856716111213009
Energy: 1.7521433064560838
Energy: 1.6435502092963499
Energy: 1.8677376776398742
Energy: 1.749452936263905
Energy: 1.7521433064546166
Energy: 1.6435502092953718
Energy: 1.8677376776398742
Energy: 1.5967147463761915
Energy: 1.7043099790863612
Energy: 1.9959293969124525
Energy: 1.6418590366510248
Energy: 1.5967147463766806
Energy: 1.7043099790868506
Energy: 1.9959293969158765
Energy: 1.6167209625433894
Energy: 1.6749004559202543
Energy: 2.072033227025353
Energy: 1.6748502366191471
Energy: 1.6167209625438783
Energy: 1.6749004559158522
Energy: 2.0720332270258424
Energy: 1.5974796612575168
Energy: 1.6493346097449249
Energy: 1.9959676997549451
Energy: 1.7044362955542716
Energy: 1.597479661258006
Energy: 1.6493346097434576
Energy: 1.9959676997549451
Energy: 1.7520236752370337
Energy: 1.7512711783716588
Energy: 1.8680256851485888
Energy: 1.646498607977748
Energy: 1.7520236752365446
Energy: 1.7512711783736152
Energy: 1.8680256851485888
Energy: 1.7934501696009066
Energy: 1.7157297186032339
Energy: 1.957479591542823
Energy: 1.6953147902576493
Energy: 1.7934501695994394
Energy: 1.715729718603723
Energy: 1.9574795915418444
Energy: 1.7031582380288064
Energy: 1.830508811783392
Energy: 2.2760193711477377
Energy: 1.8049005416325807
Energy: 1.7031582380292956
Energy: 1.8305088117843704
Energy: 2.2760193711472483
Energy: 1.831141341223029
Energy: 1.6795530520786413
Energy: 1.9717964755085629
Energy: 1.770075620700107
Energy: 1.8311413412244966
Energy: 1.679553052077174
Energy: 1.9717964755100301

minimum gb energy = 1.5186917400718485 eV
minimum distance =  2.48356033394661 Angstroms
sigma value = 113


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

Energy: 1.764934775798381
Energy: 1.870918304911071
Energy: 2.0253913596349937
Energy: 1.8715001622298224
Energy: 1.764934775806521
Energy: 1.870918304911071
Energy: 2.0253913596349937
Energy: 1.8303022836974498
Energy: 1.8583685855772696
Energy: 2.038053941521705
Energy: 1.931544281542611
Energy: 1.8303022836974498
Energy: 1.8583685855744898
Energy: 2.0380539415162455
Energy: 1.8255861488069574
Energy: 1.9039977336059348
Energy: 1.9286962921910078
Energy: 1.8463428301414955
Energy: 1.8255861487960379
Energy: 1.9039977336059348
Energy: 1.9286962921882285
Energy: 1.6856300387369274
Energy: 1.9221310235174285
Energy: 2.1054847744121803
Energy: 1.8868475799975901
Energy: 1.6856300387396077
Energy: 1.9221310235255686
Energy: 2.1054847744121803
Energy: 1.8090291782757542
Energy: 1.7822454882047736
Energy: 1.9628795099415708
Energy: 1.7906112495735065
Energy: 1.8090291782757542
Energy: 1.7822454882074539
Energy: 1.9628795099415708
Energy: 1.7270968927294998
Energy: 1.786914490295564
Energy: 2.1827403477277385
Energy: 1.7831689547113214
Energy: 1.7270968927294998
Energy: 1.786914490295564
Energy: 2.182740347730518
Energy: 1.8110912027061743
Energy: 1.8043997814720685
Energy: 1.9623471050897507
Energy: 1.8287763984933147
Energy: 1.8110912027033947
Energy: 1.8043997814666086
Energy: 1.9623471050925303
Energy: 1.637796502319899
Energy: 1.8624053076618918
Energy: 2.074931159618914
Energy: 1.7807740414320907
Energy: 1.637796502319899
Energy: 1.8624053076646712
Energy: 2.074931159618914
Energy: 1.7986939878956663
Energy: 1.7617274114015768
Energy: 1.9639110459874405
Energy: 1.7844368061334572
Energy: 1.798693987892887
Energy: 1.7617274114015768
Energy: 1.9639110459929003
Energy: 1.7371185047900002
Energy: 1.907800708545537
Energy: 2.0840064276416004
Energy: 1.8161559673339032
Energy: 1.7371185047872209
Energy: 1.9078007085427575
Energy: 2.0840064276389203
Energy: 1.773921673637284
Energy: 1.8539286751913235
Energy: 1.9608693526420746
Energy: 1.8071294136057854
Energy: 1.7739216736346037
Energy: 1.853928675185864
Energy: 1.9608693526420746
Energy: 1.7369087500380611
Energy: 1.7727698904687528
Energy: 2.259398743528611
Energy: 1.8210530150165098
Energy: 1.7369087500380611
Energy: 1.7727698904687528
Energy: 2.259398743525832
Energy: 1.7698087042940969
Energy: 1.7954987924498147
Energy: 2.005414177102666
Energy: 1.821607426766941
Energy: 1.7698087042940969
Energy: 1.795498792444355
Energy: 2.005414177108126
Energy: 1.8135879378096234
Energy: 1.9387623837596784
Energy: 2.2354959148153
Energy: 1.8164683867371163
Energy: 1.8135879378123037
Energy: 1.9387623837678185
Energy: 2.2354959148125206
Energy: 1.7725746290203686
Energy: 1.8069883724404028
Energy: 2.1600650039674556
Energy: 1.9275604135256155
Energy: 1.7725746290122284
Energy: 1.8069883724404028
Energy: 2.1600650039674556
Energy: 1.7829733910074763
Energy: 1.7407174750746452
Energy: 2.0371213921330735
Energy: 1.7993936920116254
Energy: 1.7829733910101566
Energy: 1.740717475071965
Energy: 2.0371213921412132
Energy: 1.8385478780621218
Energy: 1.8983386412440129
Energy: 2.1640097002131418
Energy: 1.8155932062115068
Energy: 1.8385478780621218
Energy: 1.8983386412440129
Energy: 2.1640097002103618
Energy: 1.6701175130813344
Energy: 1.7924340025437244
Energy: 2.1453976697478168
Energy: 1.8518697592047892
Energy: 1.6701175130813344
Energy: 1.7924340025437244
Energy: 2.145397669750497
Energy: 1.8217501869496793
Energy: 1.9099694332357837
Energy: 1.973521132221155
Energy: 1.879567628640636
Energy: 1.8217501869551391
Energy: 1.9099694332357837
Energy: 1.9735211322238353
Energy: 1.6929689746678303
Energy: 1.817920854300658
Energy: 2.155567588582482
Energy: 1.7358367887551478
Energy: 1.6929689746623706
Energy: 1.8179208542978784
Energy: 2.155567588587942
Energy: 1.7677581019175597
Energy: 1.7497503285620495
Energy: 1.9597365285417048
Energy: 1.9156297850765291
Energy: 1.7677581019230195
Energy: 1.7497503285593692
Energy: 1.9597365285417048
Energy: 1.695539766369455
Energy: 1.7799799385327693
Energy: 2.0839980762592507
Energy: 1.7996923989470566
Energy: 1.695539766377595
Energy: 1.7799799385381299
Energy: 2.08399807626471
Energy: 1.7884386185879895
Energy: 1.7228228807930817
Energy: 2.069058517029247
Energy: 1.8409107913711007
Energy: 1.7884386185907692
Energy: 1.722822880787622
Energy: 2.0690585170237874
Energy: 1.7266404149969705
Energy: 1.7742080798597257
Energy: 2.1083736890469558
Energy: 1.8125075014290262
Energy: 1.7266404149969705
Energy: 1.7742080798651854
Energy: 2.1083736890469558
Energy: 1.7614671867689902
Energy: 1.8087482008958384
Energy: 2.04170119610975
Energy: 1.964960147392598
Energy: 1.7614671867689902
Energy: 1.8087482008931584
Energy: 2.003989057912977
Energy: 1.745095903795957
Energy: 1.8470866931571084
Energy: 2.2239187807965277
Energy: 1.9253885570913827
Energy: 1.745095903795957
Energy: 1.8470866931571084
Energy: 2.2239187807993073
Energy: 1.9212609538469136
Energy: 1.8382354385977409
Energy: 1.9345479390710494
Energy: 1.9917166879379025
Energy: 1.9212609538550536
Energy: 1.838235438594961
Energy: 1.934547939079289
Energy: 1.725227578947069
Energy: 1.9017896591412948
Energy: 2.222664310832008
Energy: 1.963658953781105
Energy: 1.7252275789416092
Energy: 1.9017896591440742
Energy: 2.222664310834787
Energy: 1.9033459267887374
Energy: 1.7676588627474046
Energy: 2.006520329744851
Energy: 1.8864007316683955
Energy: 1.903345926786057
Energy: 1.7676588627501844
Energy: 1.9959738103123412
Energy: 1.7291200504100885
Energy: 1.806273886296318
Energy: 2.0317979441129648
Energy: 1.9364428309201351
Energy: 1.7291200504100885
Energy: 1.8062738862935381
Energy: 2.0317979441102842
Energy: 1.7619455161611963
Energy: 1.7869796567937335
Energy: 2.1025040863341493
Energy: 1.9116849184007527
Energy: 1.7619455161666562
Energy: 1.7869796567882736
Energy: 2.1025040863368294
Energy: 1.6356192088297656
Energy: 1.7203362638539579
Energy: 2.107893859600541
Energy: 1.8045671789504605
Energy: 1.635619208832545
Energy: 1.7203362638539579
Energy: 2.1078938595977617
Energy: 1.776355681757925
Energy: 1.7029937828346269
Energy: 2.0749667930279325
Energy: 1.86724225120867
Energy: 1.776355681757925
Energy: 1.7029937828346269
Energy: 2.074966793030613
Energy: 1.6786047204162766
Energy: 1.7361638415429508
Energy: 2.0911890095746246
Energy: 1.7178429742394885
Energy: 1.6786047204162766
Energy: 1.7361638415429508
Energy: 2.091189009571845
Energy: 1.6762728333520933
Energy: 1.724278473106152
Energy: 1.9604405665726776
Energy: 1.8394398274941297
Energy: 1.6762728333574537
Energy: 1.724278473106152
Energy: 1.9604405665726776
Energy: 1.6778893311841032
Energy: 1.680607199432415
Energy: 2.114340506243952
Energy: 1.768081947638833
Energy: 1.6778893311841032
Energy: 1.680607199432415
Energy: 2.114340506243952
Energy: 1.7567485645324041
Energy: 1.730814924090554
Energy: 2.070155398377864
Energy: 1.7778863269348282
Energy: 1.756748564540544
Energy: 1.730814924090554
Energy: 2.0701553983750847
Energy: 1.7284263262776636
Energy: 1.7510671817875838
Energy: 2.0564923441762404
Energy: 1.768347476236078
Energy: 1.7284263262749835
Energy: 1.7510671817930437
Energy: 2.0564923441790195
Energy: 1.7565341895832818
Energy: 1.789072417122529
Energy: 2.2057970299215643
Energy: 1.80759348997281
Energy: 1.7565341895806017
Energy: 1.7890724171197496
Energy: 2.205797029924344
Energy: 1.7888834503729227
Energy: 1.8951452604934598
Energy: 2.0727336156563565
Energy: 1.813606429168662
Energy: 1.7888834503757023
Energy: 1.8951452604880001
Energy: 2.0727336156618166
Energy: 1.858125636061783
Energy: 1.8094224696536154
Energy: 1.9976172758554305
Energy: 1.8503659797889416
Energy: 1.8581256360645624
Energy: 1.809422469650836
Energy: 1.997617275852651
Energy: 1.759980248080686
Energy: 1.943662060889328
Energy: 2.2215659697218633
Energy: 1.882171851955647
Energy: 1.759980248078006
Energy: 1.9436620608921076
Energy: 2.221565969719084
Energy: 1.8497216186332068
Energy: 1.7648969480459142
Energy: 1.9929902294670896
Energy: 1.8323531900392485
Energy: 1.8497216186359866
Energy: 1.7648969480459142
Energy: 1.9929902294697697
Energy: 1.7647161744103468
Energy: 1.9137914708348764
Energy: 2.1389347475837184
Energy: 1.7857626991632185
Energy: 1.7647161744075672
Energy: 1.9137914708375567
Energy: 2.1389347475837184
Energy: 1.7088115674684425
Energy: 1.8590835080313592
Energy: 2.0414037449300775
Energy: 1.819266767972378
Energy: 1.708811567462983
Energy: 1.8590835080313592
Energy: 2.0414037449300775

minimum gb energy = 1.6356192088297656 eV
minimum distance =  2.50176151987201 Angstroms
sigma value = 365


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

Energy: 1.623595106284667
Energy: 1.7708218383881231
Energy: 1.7740899001061836
Energy: 1.7708218383887389
Energy: 1.6235951062865135
Energy: 1.7708218383875078
Energy: 1.8707383261617965
Energy: 1.6235951062852823
Energy: 1.7708218383893544
Energy: 1.8707383261568724
Energy: 1.7708218383887389
Energy: 1.6235951062865135
Energy: 1.7708218383887389
Energy: 1.8707383261624118
Energy: 1.6235951062852823
Energy: 1.7708218383875078
Energy: 1.8255572151137678
Energy: 1.7708218383887389
Energy: 1.623595106285898
Energy: 1.7708218383881231
Energy: 1.8707383261519486
Energy: 1.6235951062840515
Energy: 1.7708218383887389
Energy: 1.9171181850578876
Energy: 1.7708218383881231
Energy: 1.6235951062865135
Energy: 1.7708218383881231
Energy: 1.870738326137177
Energy: 1.623595106285898
Energy: 1.7708218383893544
Energy: 1.9223066515986633
Energy: 1.7708218383881231
Energy: 1.6235951062865135
Energy: 1.7708218383887389
Energy: 1.870738326164874
Energy: 1.6235951062852823
Energy: 1.7708218383881231
Energy: 1.8246115197643593
Energy: 1.7708218383887389
Energy: 1.6235951062852823
Energy: 1.7708218383881231
Energy: 1.870738326145794
Energy: 1.6235951062852823
Energy: 1.7708218383887389
Energy: 1.8206315274427762
Energy: 1.7708218383887389
Energy: 1.6235951062865135
Energy: 1.7708218383875078
Energy: 1.8707383261783586
Energy: 1.623595106284667
Energy: 1.7708218383887389
Energy: 1.9563003712514784
Energy: 1.7708218383887389
Energy: 1.6235951062871288
Energy: 1.7708218383893544
Energy: 1.8707383261630275
Energy: 1.6235951062852823
Energy: 1.7708218383875078
Energy: 1.8697911856658669
Energy: 1.7708218383881231
Energy: 1.623595106285898
Energy: 1.7708218383881231
Energy: 1.8707383261470247
Energy: 1.6235951062852823
Energy: 1.7708218383887389
Energy: 1.8707383261654893
Energy: 1.7708218383887389
Energy: 1.6235951062852823
Energy: 1.7708218383881231
Energy: 1.8707383261605655
Energy: 1.623595106285898
Energy: 1.7708218383887389
Energy: 1.9223066518225884
Energy: 1.7708218383875078
Energy: 1.6235951062865135
Energy: 1.7708218383893544
Energy: 1.8707383261624118
Energy: 1.623595106285898
Energy: 1.7708218383881231
Energy: 1.8707383261279447
Energy: 1.7708218383887389
Energy: 1.6235951062852823
Energy: 1.7708218383881231
Energy: 1.8707383261593344
Energy: 1.623595106285898
Energy: 1.7708218383887389
Energy: 1.870738326138408
Energy: 1.7708218383893544
Energy: 1.623595106285898
Energy: 1.7708218383881231
Energy: 1.870738326163643
Energy: 1.6235951062852823
Energy: 1.7708218383893544
Energy: 1.8707383261734347
Energy: 1.7708218383881231
Energy: 1.6235951062871288
Energy: 1.7708218383887389
Energy: 1.8707383261630275
Energy: 1.6235951062852823
Energy: 1.7708218383875078
Energy: 1.8707383261642583
Energy: 1.7708218383881231
Energy: 1.623595106285898
Energy: 1.7708218383881231
Energy: 1.870738326182667
Energy: 1.6235951062852823
Energy: 1.7708218383881231
Energy: 1.870738326190053
Energy: 1.7708218383887389
Energy: 1.6235951062852823
Energy: 1.7708218383881231
Energy: 1.87073832618636
Energy: 1.623595106285898
Energy: 1.7708218383887389
Energy: 1.8707383261734347
Energy: 1.7708218383875078
Energy: 1.6235951062865135
Energy: 1.7708218383893544
Energy: 1.8707383261795898
Energy: 1.623595106285898
Energy: 1.7708218383881231
Energy: 1.870738326181436
Energy: 1.7708218383881231
Energy: 1.6235951062852823
Energy: 1.7708218383881231
Energy: 1.8707383261832824
Energy: 1.623595106285898
Energy: 1.7708218383887389
Energy: 1.8707383261765123
Energy: 1.7708218383893544
Energy: 1.623595106285898
Energy: 1.7708218383881231
Energy: 1.8707383261765123
Energy: 1.6235951062852823
Energy: 1.7708218383887389
Energy: 1.8707383261765123
Energy: 1.7708218383887389
Energy: 1.6235951062871288
Energy: 1.7708218383893544
Energy: 1.8707383262134414

minimum gb energy = 1.6235951062840515 eV
minimum distance =  2.51390193476313 Angstroms
sigma value = 23