Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.85487599670887
cohesive_energy=3.874281369635567
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: -0.141421623913241 eV

========================================
theta = 0.0
========================================

Energy: 0.014708703013711483
Energy: 0.49812310907458324
Energy: 0.014708703013300916
Energy: 0.4981231090757921
Energy: 0.014708703014099241
Energy: 0.49812310907499374
Energy: 0.014708703013300916
Energy: 0.015596631283528799
Energy: 0.588605123896933
Energy: 0.015596631283118232
Energy: 0.5886051238961346
Energy: 0.015596631283916557
Energy: 0.5886051238973435
Energy: 0.015596631283528799
Energy: 0.4175142303165925
Energy: 0.5305881059202284
Energy: 0.41751423031859985
Energy: 0.5305881097860119
Energy: 0.4175142303178015
Energy: 0.5305880990883047
Energy: 0.41751423031939816
Energy: 0.015596631282730478
Energy: 0.5886051239005597
Energy: 0.015596631282730478
Energy: 0.5886051238989403
Energy: 0.015596631282730478
Energy: 0.5886051238993507
Energy: 0.015596631282730478
Energy: 0.014708703012913158
Energy: 0.4981231090757921
Energy: 0.014708703012913158
Energy: 0.49812310907620266
Energy: 0.014708703013300916
Energy: 0.49812310907700097
Energy: 0.014708703012502591
Energy: 0.015596631282730478
Energy: 0.5886051238997614
Energy: 0.015596631282730478
Energy: 0.5886051238997614
Energy: 0.015596631282730478
Energy: 0.5886051238997614
Energy: 0.015596631282730478

minimum gb energy = 0.014708703012502591 eV
minimum distance =  2.46807834304808 Angstroms
sigma value = 5


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

Energy: 1.2773279693536617
Energy: 1.6800221150064087
Energy: 1.2773279693585662
Energy: 1.6800221150093517
Energy: 1.2773279693536617
Energy: 1.6800221150068995
Energy: 1.2773279693580757
Energy: 1.2521754375434904
Energy: 1.2152701949966096
Energy: 1.252175437547414
Energy: 1.2152701949907243
Energy: 1.2521754375439809
Energy: 1.215270194996119
Energy: 1.252175437547414
Energy: 1.1768933364785843
Energy: 1.2058416326353214
Energy: 1.17689333648496
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Energy: 1.176893336478094
Energy: 1.205841632636793
Energy: 1.17689333648496
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Energy: 1.2486932435518578
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Energy: 1.2486932435548004
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Energy: 1.2486932435528386
Energy: 1.1729739122923333
Energy: 1.1600573935203697
Energy: 1.2531751215101417
Energy: 1.1600573935203697
Energy: 1.2531751215091609
Energy: 1.1600573935213505
Energy: 1.2531751215096512
Energy: 1.16005739352086
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Energy: 1.3322392857825804
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Energy: 1.3322392857825804
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Energy: 1.2857643818868163
Energy: 1.2542000786243794
Energy: 1.2857643818789695
Energy: 1.2542000786219272
Energy: 1.2038186029573068
Energy: 1.2922696323122502
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Energy: 1.2038186029568163
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Energy: 1.242747909048832
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Energy: 1.2341616662426003
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Energy: 1.2289115568063314
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Energy: 1.3060615896442334
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Energy: 1.313259393873332
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Energy: 1.1794665086712601
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Energy: 1.1794665086692984
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Energy: 1.184660970126607
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Energy: 1.2871856041551675
Energy: 1.3619909493880753
Energy: 1.287185604154677
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Energy: 1.2617585063275103
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Energy: 1.259277729371162
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Energy: 1.3066911904310397
Energy: 1.1766794589940035
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Energy: 1.1854045330102991
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Energy: 1.25252902923294
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Energy: 1.159537549303117
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Energy: 1.159537549303117
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Energy: 1.3032758848002635
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Energy: 1.3032758848041872
Energy: 1.2135911078462212
Energy: 1.1921785357946098
Energy: 1.2777259274925437
Energy: 1.1921785357980428
Energy: 1.2777259274964672
Energy: 1.1921785357936288
Energy: 1.2777259274935244
Energy: 1.1921785357980428
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Energy: 1.2599944483073233
Energy: 1.268891268409939
Energy: 1.2599944483102659
Energy: 1.2688912684109197
Energy: 1.2599944483087946
Energy: 1.2688912684084677
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Energy: 1.174030305307946
Energy: 1.1677910421965074
Energy: 1.1740303053030414
Energy: 1.1677910421955264
Energy: 1.174030305306965
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Energy: 1.308060508542369
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Energy: 1.3080605085448214
Energy: 1.202596541072309
Energy: 1.308060508542369
Energy: 1.202596541074761
Energy: 1.3080605085443309
Energy: 1.2192552101592908
Energy: 1.2221688292100286
Energy: 1.2192552101637049
Energy: 1.2221688292110096
Energy: 1.2192552101597813
Energy: 1.2221688292114998
Energy: 1.2192552101641951
Energy: 1.255808997969511
Energy: 1.3046684254567078
Energy: 1.2558089979665685
Energy: 1.30466842545916
Energy: 1.2558089979690206
Energy: 1.3046684254562173
Energy: 1.255808997966078
Energy: 1.1826135498922672
Energy: 1.2659655055590706
Energy: 1.1826135498868722
Energy: 1.2659655055580896
Energy: 1.1826135498917767
Energy: 1.265965505559561
Energy: 1.1826135498873627
Energy: 1.182207547875072
Energy: 1.269331905710802
Energy: 1.1822075478736007
Energy: 1.2693319057117827
Energy: 1.1822075478745815
Energy: 1.2693319057112924
Energy: 1.1822075478736007
Energy: 1.1737004114536815
Energy: 1.2367025117706913
Energy: 1.1737004114527008
Energy: 1.2367025117736339
Energy: 1.1737004114536815
Energy: 1.2367025117702009
Energy: 1.1737004114527008
Energy: 1.1995637392967735
Energy: 1.2392960522097403
Energy: 1.1995637392957927
Energy: 1.239296052216116
Energy: 1.199563739297264
Energy: 1.2392960522092498
Energy: 1.1995637392953022

minimum gb energy = 1.152141966579791 eV
minimum distance =  2.25834198604607 Angstroms
sigma value = 401


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

Energy: 1.2725643707390915
Energy: 1.3468291251025606
Energy: 1.272564370736308
Energy: 1.3468291251075708
Energy: 1.272564370737978
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Energy: 1.346829125102004
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Energy: 1.244259266711322
Energy: 1.2042723830398343
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Energy: 1.3196768952109226
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Energy: 1.1745934947823597
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Energy: 1.2309323049527137
Energy: 1.2987960967329872
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Energy: 1.2987960967335437
Energy: 1.2309323049521566
Energy: 1.2321995096990015
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Energy: 1.232199509703455
Energy: 1.2842531211708152
Energy: 1.351595311179607
Energy: 1.284253121169145
Energy: 1.351595311179607
Energy: 1.2842531211697017
Energy: 1.351595311181277
Energy: 1.2842531211680317
Energy: 1.276739197392049
Energy: 1.3514571610584454
Energy: 1.2767391973959459
Energy: 1.3514571610512083
Energy: 1.276739197399286
Energy: 1.351457161051765
Energy: 1.2767391973903788
Energy: 1.2177351055167809
Energy: 1.2985935493162306
Energy: 1.2177351055195644
Energy: 1.2985935493162306
Energy: 1.2177351055167809
Energy: 1.2985935493162306
Energy: 1.2177351055201213
Energy: 1.242363212314098
Energy: 1.3082742968048569
Energy: 1.2423632123135413
Energy: 1.3082742968059702
Energy: 1.2423632123146546
Energy: 1.3082742968048569
Energy: 1.2423632123107577
Energy: 1.1747949999139655
Energy: 1.2032491969506602
Energy: 1.1747949999161924
Energy: 1.20324919694899
Energy: 1.1747949999139655
Energy: 1.203249196951217
Energy: 1.1747949999161924
Energy: 1.1992497666283723
Energy: 1.1913212199682812
Energy: 1.1992497666356092
Energy: 1.1913212199632708
Energy: 1.1992497666283723
Energy: 1.1913212199671677
Energy: 1.199249766636166
Energy: 1.2725643707396481
Energy: 1.346829125100334
Energy: 1.2725643707396481
Energy: 1.3468291251064575
Energy: 1.2725643707396481
Energy: 1.3468291251008906
Energy: 1.2725643707390915
Energy: 1.1993090149163934
Energy: 1.2281475492173273
Energy: 1.1993090149136099
Energy: 1.2281475492178842
Energy: 1.1993090149163934
Energy: 1.2281475492112037
Energy: 1.1993090149136099

minimum gb energy = 1.174593494781803 eV
minimum distance =  2.28033604199031 Angstroms
sigma value = 311


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

Energy: 1.2281958139088955
Energy: 1.2653783795309084
Energy: 1.228195813908253
Energy: 1.2653783795315512
Energy: 1.2281958139101812
Energy: 1.2653783795328366
Energy: 1.2281958139101812
Energy: 1.206887689742934
Energy: 1.2047266632914433
Energy: 1.2068876897410057
Energy: 1.204726663292086
Energy: 1.2068876897410057
Energy: 1.2047266632940146
Energy: 1.2068876897403629
Energy: 1.1507599291973312
Energy: 1.181051412448904
Energy: 1.1507599291954027
Energy: 1.1810514124482612
Energy: 1.150759929194117
Energy: 1.181051412448904
Energy: 1.1507599291960455
Energy: 1.3082778191328297
Energy: 1.2707228875726115
Energy: 1.308277819135401
Energy: 1.2707228875719687
Energy: 1.3082778191341153
Energy: 1.2707228875751535
Energy: 1.3082778191321869
Energy: 1.2743494382293132
Energy: 1.3702734368210143
Energy: 1.2743494382286704
Energy: 1.3702734368190859
Energy: 1.2743494382286704
Energy: 1.3702734368216571
Energy: 1.274349438229956
Energy: 1.181950453274397
Energy: 1.343761977925438
Energy: 1.1819504532737544
Energy: 1.3437619779260808
Energy: 1.181950453274397
Energy: 1.3437619779273666
Energy: 1.1819504532737544
Energy: 1.1929690911236364
Energy: 1.34017115420212
Energy: 1.1929690911236364
Energy: 1.34017115420212
Energy: 1.1929690911249222
Energy: 1.3401711542008343
Energy: 1.1929690911268507
Energy: 1.3252782249058688
Energy: 1.3287491667906324
Energy: 1.325278224904583
Energy: 1.3287491667912752
Energy: 1.3252782249065116
Energy: 1.3287491667899896
Energy: 1.3252782249032973
Energy: 1.2734157006449072
Energy: 1.32328006247798
Energy: 1.273415700642336
Energy: 1.323280062477337
Energy: 1.2734157006449072
Energy: 1.3232800624766943
Energy: 1.273415700646193
Energy: 1.138979647527302
Energy: 1.2754060355905847
Energy: 1.1389796475253735
Energy: 1.2754060355912276
Energy: 1.1389796475253735
Energy: 1.2754060355937988
Energy: 1.138979647527945
Energy: 1.1480861287039867
Energy: 1.2794159529822229
Energy: 1.148086128702701
Energy: 1.2794159529828657
Energy: 1.1480861287052724
Energy: 1.2794159529822229
Energy: 1.1480861287039867
Energy: 1.3524402793870465
Energy: 1.3058457935459309
Energy: 1.3524402793864039
Energy: 1.305845793545288
Energy: 1.3524402793864039
Energy: 1.3058457935427168
Energy: 1.3524402793870465
Energy: 1.2990567112255256
Energy: 1.2611450116568934
Energy: 1.2990567112255256
Energy: 1.2611450116568934
Energy: 1.2990567112223115
Energy: 1.2611450116562504
Energy: 1.29905671122424
Energy: 1.1874310784468056
Energy: 1.2201016500345028
Energy: 1.1874310784468056
Energy: 1.2201016500332171
Energy: 1.1874310784442343
Energy: 1.2201016500345028
Energy: 1.1874310784455198
Energy: 1.2870090276172708
Energy: 1.318049409269819
Energy: 1.2870090276153423
Energy: 1.3180494092704618
Energy: 1.2870090276153423
Energy: 1.318049409269819
Energy: 1.287009027616628
Energy: 1.2163488072737496
Energy: 1.2693446344219368
Energy: 1.2163488072750352
Energy: 1.269344634421294
Energy: 1.2163488072750352
Energy: 1.269344634421294
Energy: 1.216348807275678
Energy: 1.2080930965545533
Energy: 1.2078666437138192
Energy: 1.2080930965539105
Energy: 1.2078666437151047
Energy: 1.208093096555839
Energy: 1.2078666437151047
Energy: 1.2080930965545533
Energy: 1.1473591919415742
Energy: 1.262761099640418
Energy: 1.1473591919402886
Energy: 1.2627610996410608
Energy: 1.1473591919396458
Energy: 1.2627610996417034
Energy: 1.1473591919402886
Energy: 1.3099377019868272
Energy: 1.361232045238423
Energy: 1.3099377019861844
Energy: 1.3612320452422801
Energy: 1.3099377019881129
Energy: 1.3612320452397089
Energy: 1.3099377019861844
Energy: 1.27427411162214
Energy: 1.3372395561052328
Energy: 1.2742741116195688
Energy: 1.3372395561058756
Energy: 1.2742741116195688
Energy: 1.3372395561052328
Energy: 1.2742741116202116
Energy: 1.206102791663592
Energy: 1.198039562855231
Energy: 1.2061027916648774
Energy: 1.1980395628571596
Energy: 1.2061027916655203
Energy: 1.198039562855231
Energy: 1.206102791662949
Energy: 1.2251796144696894
Energy: 1.306181478949797
Energy: 1.2251796144722604
Energy: 1.306181478949797
Energy: 1.2251796144703322
Energy: 1.3061814789485113
Energy: 1.2251796144690466
Energy: 1.3204656585260504
Energy: 1.2696347043056573
Energy: 1.320465658527336
Energy: 1.2696347043024432
Energy: 1.3204656585279788
Energy: 1.2696347043024432
Energy: 1.3204656585279788
Energy: 1.3019052905371178
Energy: 1.3188092186083973
Energy: 1.301905290535832
Energy: 1.3188092186045404
Energy: 1.301905290535832
Energy: 1.3188092186038975
Energy: 1.3019052905364747
Energy: 1.1461302783169791
Energy: 1.1640733899011595
Energy: 1.1461302783201932
Energy: 1.1640733899037305
Energy: 1.1461302783189076
Energy: 1.1640733899037305
Energy: 1.1461302783182648
Energy: 1.2597164951868038
Energy: 1.323157446860263
Energy: 1.2597164951842619
Energy: 1.3231574468609058
Energy: 1.259716495183619
Energy: 1.3231574468615486
Energy: 1.2597164951849047
Energy: 1.3128554599529016
Energy: 1.3265791733696233
Energy: 1.3128554599554727
Energy: 1.3265791733689802
Energy: 1.3128554599548299
Energy: 1.326579173370266
Energy: 1.3128554599548299
Energy: 1.2634954468187034
Energy: 1.3899520397213851
Energy: 1.263495446819989
Energy: 1.3899520397207423
Energy: 1.2634954468187034
Energy: 1.3899520397207423
Energy: 1.2634954468187034
Energy: 1.1942404749390914
Energy: 1.2234687028749451
Energy: 1.194240474937163
Energy: 1.2234687028762017
Energy: 1.1942404749409907
Energy: 1.2234687028774873
Energy: 1.1942404749384485
Energy: 1.3016730700064862
Energy: 1.3658332182674109
Energy: 1.3016730700045578
Energy: 1.3658332182641968
Energy: 1.301673070007129
Energy: 1.3658332182654824
Energy: 1.3016730700058434
Energy: 1.320313003908976
Energy: 1.316676900097445
Energy: 1.3203130039083335
Energy: 1.3166769000961593
Energy: 1.320313003908976
Energy: 1.3166769000968022
Energy: 1.3203130039083335
Energy: 1.148126454270372
Energy: 1.268125288150243
Energy: 1.1481264542742287
Energy: 1.2681252881521419
Energy: 1.1481264542735858
Energy: 1.2681252881483143
Energy: 1.1481264542735858
Energy: 1.1618165930352933
Energy: 1.1670055460594788
Energy: 1.161816593035936
Energy: 1.1670055460588358
Energy: 1.1618165930352933
Energy: 1.1670055460620499
Energy: 1.1618165930352933
Energy: 1.3227363803673367
Energy: 1.346649823098335
Energy: 1.3227363803647652
Energy: 1.3466498230996207
Energy: 1.322736380362194
Energy: 1.3466498230964357
Energy: 1.3227363803634795
Energy: 1.3461121539400565
Energy: 1.3416423574418168
Energy: 1.3461121539355567
Energy: 1.3416423574443879
Energy: 1.3461121539355567
Energy: 1.3416423574443879
Energy: 1.3461121539374852
Energy: 1.1854332472304796
Energy: 1.2249926865902916
Energy: 1.1854332472323785
Energy: 1.224992686589035
Energy: 1.1854332472298368
Energy: 1.2249926865909344
Energy: 1.1854332472304796

minimum gb energy = 1.1389796475253735 eV
minimum distance =  2.20743920950661 Angstroms
sigma value = 39


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

Energy: 1.20258305317847
Energy: 1.231770105980694
Energy: 1.2025830531746766
Energy: 1.231770105980694
Energy: 1.2025830531777113
Energy: 1.231770105980694
Energy: 1.2025830531754353
Energy: 1.2530476994754487
Energy: 1.1313905689438073
Energy: 1.2530476994754487
Energy: 1.1313905689430488
Energy: 1.2530476994754487
Energy: 1.131390568944566
Energy: 1.2530476994746902
Energy: 1.194265438311075
Energy: 1.15333526928839
Energy: 1.1942654383087987
Energy: 1.1533352692899075
Energy: 1.194265438311075
Energy: 1.15333526928839
Energy: 1.1942654383087987
Energy: 1.2512938929624493
Energy: 1.1403523587897164
Energy: 1.2512938929624493
Energy: 1.140352358788199
Energy: 1.2512938929616906
Energy: 1.1403523587889577
Energy: 1.2512938929616906
Energy: 1.261252624337224
Energy: 1.1315761971092406
Energy: 1.2612526243402586
Energy: 1.131576197112275
Energy: 1.261252624337224
Energy: 1.1315761971099993
Energy: 1.2612526243402586
Energy: 1.2526923408347619
Energy: 1.1316769812612484
Energy: 1.2526923408370378
Energy: 1.1316769812650416
Energy: 1.2526923408347619
Energy: 1.1316769812612484
Energy: 1.2526923408370378
Energy: 1.2518451195838178
Energy: 1.1531985032595766
Energy: 1.251845119585335
Energy: 1.1531985032603356
Energy: 1.2518451195838178
Energy: 1.1531985032603356
Energy: 1.2518451195883695
Energy: 1.2268224888610766
Energy: 1.1482494879938705
Energy: 1.2268224888618353
Energy: 1.1482494879908358
Energy: 1.2268224888618353
Energy: 1.148249487994629
Energy: 1.2268224888618353
Energy: 1.2759572363163754
Energy: 1.1316526726190534
Energy: 1.275957236317134
Energy: 1.1316526726190534
Energy: 1.2759572363156166
Energy: 1.131652672619812
Energy: 1.275957236317134
Energy: 1.2016839688236913
Energy: 1.232440031549613
Energy: 1.2016839688236913
Energy: 1.2324400315511301
Energy: 1.2016839688244498
Energy: 1.2324400315503714
Energy: 1.2016839688244498
Energy: 1.2519783537179563
Energy: 1.1518296339702159
Energy: 1.2519783537202323
Energy: 1.1518296339679401
Energy: 1.2519783537194737
Energy: 1.1518296339694574
Energy: 1.2519783537225082
Energy: 1.2085435499984432
Energy: 1.1481486437192527
Energy: 1.2085435499976847
Energy: 1.1481486437177355
Energy: 1.2085435499984432
Energy: 1.1481486437192527
Energy: 1.2085435499984432
Energy: 1.314893276454329
Energy: 1.1382140257801139
Energy: 1.3148932764528116
Energy: 1.1382140257785966
Energy: 1.3148932764566048
Energy: 1.1382140257808726
Energy: 1.3148932764528116
Energy: 1.2085630227922877
Energy: 1.1484872530391717
Energy: 1.2085630227907704
Energy: 1.1484872530406889
Energy: 1.2085630227922877
Energy: 1.1484872530391717
Energy: 1.2085630227907704
Energy: 1.245643242685801
Energy: 1.2149855814186383
Energy: 1.2456432426842838
Energy: 1.2149855814186383
Energy: 1.245643242685801
Energy: 1.2149855814178798
Energy: 1.2456432426842838
Energy: 1.2086260477564303
Energy: 1.1484093625053418
Energy: 1.2086260477564303
Energy: 1.148409362508376
Energy: 1.2086260477571888
Energy: 1.1484093625061003
Energy: 1.2086260477564303
Energy: 1.3148358670372722
Energy: 1.1381775588367558
Energy: 1.3148358670349962
Energy: 1.1381775588397902
Energy: 1.3148358670372722
Energy: 1.138177558835997
Energy: 1.314835867035755
Energy: 1.2085563736103622
Energy: 1.1481169480381848
Energy: 1.2085563736103622
Energy: 1.1481169480381848
Energy: 1.208556373611121
Energy: 1.1481169480389435
Energy: 1.2085563736096039
Energy: 1.2074855529142179
Energy: 1.1518321487878962
Energy: 1.2074855529149766
Energy: 1.1518321487878962
Energy: 1.2074855529142179
Energy: 1.151832148788655
Energy: 1.2074855529142179
Energy: 1.201664793370708
Energy: 1.2324622377929666
Energy: 1.201664793372984
Energy: 1.232462237789932
Energy: 1.201664793370708
Energy: 1.2324622377922079
Energy: 1.201664793372984
Energy: 1.2758839693651929
Energy: 1.1316868126547417
Energy: 1.2758839693636752
Energy: 1.1316868126539832
Energy: 1.2758839693651929
Energy: 1.1316868126547417
Energy: 1.2758839693636752
Energy: 1.2266517761445297
Energy: 1.148226815432601
Energy: 1.2266517761430122
Energy: 1.148226815432601
Energy: 1.2266517761445297
Energy: 1.148226815432601
Energy: 1.2266517761437707
Energy: 1.2086434555049075
Energy: 1.1529893865372314
Energy: 1.2086434556398793
Energy: 1.152989386539507
Energy: 1.2086434555443577
Energy: 1.1529893865379899
Energy: 1.2086434554412149
Energy: 1.252399382808795
Energy: 1.1318142784025649
Energy: 1.2523993828080362
Energy: 1.1318142784018062
Energy: 1.2523993828080362
Energy: 1.1318142784033234
Energy: 1.252399382808795
Energy: 1.2613156058155364
Energy: 1.131575236981328
Energy: 1.261315605818571
Energy: 1.1315752369820866
Energy: 1.2613156058200883
Energy: 1.1315752369805692
Energy: 1.2613156058178123
Energy: 1.2553356858966676
Energy: 1.1407928665301565
Energy: 1.2553356858966676
Energy: 1.1407928665301565
Energy: 1.2553356858974265
Energy: 1.1407928665293978
Energy: 1.2553356858966676
Energy: 1.1942900957969234
Energy: 1.153356177653663
Energy: 1.1942900957969234
Energy: 1.1533561776521455
Energy: 1.1942900957969234
Energy: 1.153356177653663
Energy: 1.1942900957961646
Energy: 1.2523944103795281
Energy: 1.1314411280203074
Energy: 1.2523944103749762
Energy: 1.1314411280165144
Energy: 1.252394410378011
Energy: 1.1314411280195487
Energy: 1.2523944103749762
Energy: 1.2025830531815047
Energy: 1.2317701059822115
Energy: 1.2025830531792285
Energy: 1.231770105980694
Energy: 1.202583053180746
Energy: 1.2317701059814528
Energy: 1.20258305317847
Energy: 1.2530476994754487
Energy: 1.13139056894229
Energy: 1.2530476994754487
Energy: 1.1313905689415313
Energy: 1.2530476994762072
Energy: 1.1313905689430488
Energy: 1.2530476994762072

minimum gb energy = 1.1313905689415313 eV
minimum distance =  2.23345538690147 Angstroms
sigma value = 21


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

Energy: 1.2564379625286932
Energy: 1.2865981641546844
Energy: 1.2564379625286932
Energy: 1.2865981641556052
Energy: 1.2564379625286932
Energy: 1.2865981641546844
Energy: 1.2564379625286932
Energy: 1.1290508907708683
Energy: 1.101124506069841
Energy: 1.1290508907708683
Energy: 1.1011245060679993
Energy: 1.1290508907708683
Energy: 1.101124506069841
Energy: 1.1290508907708683
Energy: 1.267749964065016
Energy: 1.2126019319201644
Energy: 1.267749964065016
Energy: 1.2126019319210855
Energy: 1.267749964065016
Energy: 1.2126019319183226
Energy: 1.267749964065016
Energy: 1.121438681691617
Energy: 1.1020706292531892
Energy: 1.121438681691617
Energy: 1.1020706292531892
Energy: 1.1214386816907171
Energy: 1.10207062925411
Energy: 1.121438681691617
Energy: 1.0592703638668326
Energy: 1.1458751462851204
Energy: 1.0592703638677534
Energy: 1.1458751462841994
Energy: 1.0592703638668326
Energy: 1.1458751462851204
Energy: 1.0592703638677534
Energy: 1.0781177929811085
Energy: 1.1063623997579004
Energy: 1.0781177929801875
Energy: 1.1063623997588214
Energy: 1.0781177929811085
Energy: 1.1063623997579004
Energy: 1.0781177929792662
Energy: 1.0772937095848487
Energy: 1.1714893611043264
Energy: 1.07729370958577
Energy: 1.1714893611043264
Energy: 1.077293709583928
Energy: 1.1714893611015638
Energy: 1.0772937095866908
Energy: 1.0588586618930358
Energy: 1.089895816091544
Energy: 1.058858661890273
Energy: 1.089895816092465
Energy: 1.058858661892115
Energy: 1.0898958160906234
Energy: 1.0588586618865892
Energy: 1.1241714433520669
Energy: 1.0901374037242915
Energy: 1.1241714433539087
Energy: 1.0901374037242915
Energy: 1.1241714433520669
Energy: 1.0901374037242915
Energy: 1.1241714433529877
Energy: 1.078298909244869
Energy: 1.1491531628595313
Energy: 1.078298909243948
Energy: 1.1491531628659781
Energy: 1.078298909244869
Energy: 1.149153162864136
Energy: 1.078298909243948
Energy: 1.0784017962623849
Energy: 1.1110356891523878
Energy: 1.0784017962623849
Energy: 1.1110356891533089
Energy: 1.0784017962623849
Energy: 1.1110356891551507
Energy: 1.0784017962623849
Energy: 1.0591663411484613
Energy: 1.1369729197191267
Energy: 1.0591663411475405
Energy: 1.1369729197182057
Energy: 1.0591663411484613
Energy: 1.1369729197191267
Energy: 1.0591663411484613
Energy: 1.115645143813915
Energy: 1.0946159630318708
Energy: 1.115645143812073
Energy: 1.0946159630309502
Energy: 1.1156451438148358
Energy: 1.0946159630318708
Energy: 1.115645143812994
Energy: 1.1712351252123043
Energy: 1.1731166958170238
Energy: 1.1712351252104622
Energy: 1.1731166958225496
Energy: 1.1712351252123043
Energy: 1.1731166958170238
Energy: 1.1712351252113835
Energy: 1.1258351226045913
Energy: 1.11041131255172
Energy: 1.1258351226082752
Energy: 1.1104113125498778
Energy: 1.1258351226045913
Energy: 1.11041131255172
Energy: 1.1258351226082752
Energy: 1.2458828669663629
Energy: 1.221592046642841
Energy: 1.245882866965442
Energy: 1.2215920466419197
Energy: 1.2458828669663629
Energy: 1.2215920466409989
Energy: 1.2458828669663629
Energy: 1.1543728436295384
Energy: 1.1073573498878004
Energy: 1.1543728436295384
Energy: 1.1073573498859586
Energy: 1.1543728436295384
Energy: 1.1073573498878004
Energy: 1.1543728436295384
Energy: 1.1715641782592583
Energy: 1.1734935535046287
Energy: 1.1715641782583377
Energy: 1.1734935535037077
Energy: 1.1715641782583377
Energy: 1.1734935535037077
Energy: 1.1715641782583377
Energy: 1.1552582062245107
Energy: 1.1114736611591007
Energy: 1.1552582062245107
Energy: 1.11147366115818
Energy: 1.1552582062245107
Energy: 1.1114736611600218
Energy: 1.1552582062245107
Energy: 1.0591341114790758
Energy: 1.1013350403621651
Energy: 1.0591341114790758
Energy: 1.1013350403612443
Energy: 1.0591341114809179
Energy: 1.1013350403621651
Energy: 1.0591341114781547
Energy: 1.1153172455060385
Energy: 1.181563918324162
Energy: 1.1153172455041964
Energy: 1.1815639183223199
Energy: 1.1153172455060385
Energy: 1.1815639183250828
Energy: 1.1153172455041964
Energy: 1.0773369293154529
Energy: 1.1706042254138609
Energy: 1.0773369293163737
Energy: 1.1706042254147817
Energy: 1.0773369293163737
Energy: 1.1706042254138609
Energy: 1.0773369293163737
Energy: 1.110473250579355
Energy: 1.1106620034145802
Energy: 1.1104732505811972
Energy: 1.1106620034145802
Energy: 1.1104732505802763
Energy: 1.1106620034155013
Energy: 1.1104732505802763
Energy: 1.1274658870911294
Energy: 1.1002739637977426
Energy: 1.1274658870883665
Energy: 1.1002739637977426
Energy: 1.1274658870911294
Energy: 1.1002739637986636
Energy: 1.1274658870883665
Energy: 1.110152525632191
Energy: 1.1684636220833549
Energy: 1.110152525633112
Energy: 1.1684636220833549
Energy: 1.110152525632191
Energy: 1.1684636220833549
Energy: 1.110152525633112

minimum gb energy = 1.0588586618865892 eV
minimum distance =  2.27793210766755 Angstroms
sigma value = 113


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

Energy: 1.059199002079835
Energy: 1.1073255263171506
Energy: 1.059199002080863
Energy: 1.1073255263156088
Energy: 1.0591990020788071
Energy: 1.1073255263192068
Energy: 1.059199002081377
Energy: 1.025771677425254
Energy: 0.9608745996065433
Energy: 1.02577167742474
Energy: 0.9608745996101413
Energy: 1.0257716774242263
Energy: 0.9608745996080853
Energy: 1.0257716774237122
Energy: 1.0322324872323405
Energy: 0.9987202915987543
Energy: 1.0322324872349105
Energy: 0.9987202915961845
Energy: 1.0322324872333684
Energy: 0.9987202915997356
Energy: 1.0322324872338826
Energy: 0.9931966692383881
Energy: 0.9766518671612137
Energy: 0.9931966692409583
Energy: 0.9766518671571018
Energy: 0.9931966692389023
Energy: 0.9766518671596717
Energy: 0.9931966692409583
Energy: 0.9970881655254339
Energy: 1.033211084501853
Energy: 0.9970881655223499
Energy: 1.0332110845023668
Energy: 0.9970881655254339
Energy: 1.033211084504423
Energy: 0.9970881655223499
Energy: 0.9705616501216381
Energy: 0.9629207518806451
Energy: 0.9705616501272919
Energy: 0.9629207518775611
Energy: 0.970561650121124
Energy: 0.9629207518780751
Energy: 0.970561650126264
Energy: 0.9857605493842839
Energy: 0.9870333145919321
Energy: 0.9857605493781161
Energy: 0.9870333145816522
Energy: 0.9857605493837699
Energy: 0.98703331459296
Energy: 0.9857605493791439
Energy: 0.9746414076305775
Energy: 0.9446967233450013
Energy: 0.9746414076310916
Energy: 0.9446967233439731
Energy: 0.9746414076321197
Energy: 0.9446967233455151
Energy: 0.9746414076305775
Energy: 0.9648525152238352
Energy: 0.9800320216739812
Energy: 0.9648525152207513
Energy: 0.980032021678607
Energy: 0.9648525152207513
Energy: 0.980032021674495
Energy: 0.9648525152197234
Energy: 0.9713865749668906
Energy: 0.9284726487081543
Energy: 0.9713865749668906
Energy: 0.9284726487055843
Energy: 0.9713865749653487
Energy: 0.9284726487071262
Energy: 0.9713865749668906
Energy: 0.9593647521891127
Energy: 0.9441234278367006
Energy: 0.9593647521911685
Energy: 0.9441234278377284
Energy: 0.9593647521885985
Energy: 0.9441234278361864
Energy: 0.9593647521896265
Energy: 0.9966936833663382
Energy: 0.9565383628051418
Energy: 0.9966936833719923
Energy: 0.9565383628056556
Energy: 0.9966936833668523
Energy: 0.9565383628051418
Energy: 0.9966936833719923
Energy: 0.9039291970594971
Energy: 0.996810130800952
Energy: 0.9039291970569272
Energy: 0.9968101308060919
Energy: 0.9039291970594971
Energy: 0.996810130799924
Energy: 0.9039291970579552
Energy: 0.9586380236441515
Energy: 0.9275068081191502
Energy: 0.9586380236477495
Energy: 0.9275068081206922
Energy: 0.9586380236451796
Energy: 0.9275068081170942
Energy: 0.9586380236482637
Energy: 0.9460775515175799
Energy: 0.9217497521888167
Energy: 0.9460775515191219
Energy: 0.9217497521913867
Energy: 0.9460775515175799
Energy: 0.9217497521877888
Energy: 0.9460775515191219
Energy: 1.015724857821588
Energy: 0.998660028113948
Energy: 1.0157248578200462
Energy: 0.998660028108808
Energy: 1.0157248578236442
Energy: 0.9986600281144622
Energy: 1.015724857821074
Energy: 0.9051180794667217
Energy: 0.9258514150155196
Energy: 0.9051180794677498
Energy: 0.9258514150175756
Energy: 0.9051180794656938
Energy: 0.9258514150150056
Energy: 0.9051180794682637
Energy: 0.9723559269650456
Energy: 0.9411172433775925
Energy: 0.9723559269665876
Energy: 0.9411172433801624
Energy: 0.9723559269655594
Energy: 0.9411172433770785
Energy: 0.9723559269665876
Energy: 0.9666515605170733
Energy: 0.922077432015374
Energy: 0.9666515605216993
Energy: 0.9220774320122901
Energy: 0.9666515605175874
Energy: 0.9220774320148601
Energy: 0.9666515605216993
Energy: 0.9648890971489441
Energy: 1.004539133525705
Energy: 0.964889097152028
Energy: 1.0045391335272469
Energy: 0.9648890971515142
Energy: 1.0045391335272469
Energy: 0.9648890971458601
Energy: 0.9820765958354407
Energy: 0.9262668067905412
Energy: 0.9820765958369827
Energy: 0.9262668067920832
Energy: 0.9820765958354407
Energy: 0.9262668067895132
Energy: 0.9820765958369827
Energy: 0.9915836143535744
Energy: 0.9623987527960632
Energy: 0.9915836143479206
Energy: 0.9623987528037733
Energy: 0.9915836143546025
Energy: 0.9623987527976052
Energy: 0.9915836143474065
Energy: 0.9553376878313392
Energy: 1.0015332941556894
Energy: 0.9553376878339093
Energy: 1.0015332941577455
Energy: 0.9553376878308251
Energy: 1.0015332941572315
Energy: 0.9553376878333952
Energy: 0.966675715911961
Energy: 1.029897836586874
Energy: 0.9666757159078491
Energy: 1.0298978367985467
Energy: 0.966675715912989
Energy: 1.0298978367985467
Energy: 0.9666757159068211
Energy: 0.9618903758963938
Energy: 0.9735109820469565
Energy: 0.9618903758999918
Energy: 0.9735109820490125
Energy: 0.9618903758943378
Energy: 0.9735109820469565
Energy: 0.9618903758984498
Energy: 1.0228537056541827
Energy: 0.9688843731440335
Energy: 1.0228537056521265
Energy: 0.9688843731435196
Energy: 1.0228537056541827
Energy: 0.9688843731435196
Energy: 1.0228537056521265
Energy: 1.0230618919820385
Energy: 0.9595558177246586
Energy: 1.0230618919840944
Energy: 0.9595558177246586
Energy: 1.0230618919820385
Energy: 0.9595558177262006
Energy: 1.0230618919846084
Energy: 1.028494315698944
Energy: 1.0738758460004152
Energy: 1.028494315700486
Energy: 1.0738758555492793
Energy: 1.028494315701
Energy: 1.0738758306351808
Energy: 1.0284943156994582
Energy: 1.0033963239987544
Energy: 0.961483088785157
Energy: 1.0033963281011844
Energy: 0.961483088787213
Energy: 1.0033963176562863
Energy: 0.961483088785671
Energy: 1.0033963215573236
Energy: 1.0140582882855549
Energy: 0.9690063735047972
Energy: 1.0140582882865827
Energy: 0.9690063735094233
Energy: 1.014058288286069
Energy: 0.9690063735047972
Energy: 1.0140582882865827
Energy: 0.9826617296015555
Energy: 1.1199615235783817
Energy: 0.9826617296596369
Energy: 1.1199615235804377
Energy: 0.9826617296591231
Energy: 1.1199615235773537
Energy: 0.9826617296539831
Energy: 0.966570181236715
Energy: 1.0059142851582785
Energy: 0.9665701812326029
Energy: 1.0059142856494245
Energy: 0.9665701812356868
Energy: 1.0059142852101453
Energy: 0.9665701812331169
Energy: 1.0470996145060614
Energy: 0.9615133831558527
Energy: 1.0470996145112015
Energy: 0.9615133831553386
Energy: 1.0470996145086315
Energy: 0.9615133831563667
Energy: 1.0470996145086315
Energy: 0.9740423500329182
Energy: 0.9708825845577694
Energy: 0.9740423500339461
Energy: 0.9708825845536576
Energy: 0.9740423500344602
Energy: 0.9708825845587976
Energy: 0.9740423500313761
Energy: 0.9787863400339967
Energy: 1.0657279931466899
Energy: 0.9787863400288567
Energy: 1.065727993143606
Energy: 0.9787863400350248
Energy: 1.0657279931482317
Energy: 0.9787863400293708
Energy: 0.9475646791940678
Energy: 0.9984198959920287
Energy: 0.9475646791945816
Energy: 0.998419895943713
Energy: 0.9475646791935538
Energy: 0.9984198960048786
Energy: 0.9475646791945816
Energy: 0.9451829214219839
Energy: 0.9272612411077131
Energy: 0.9451829214224977
Energy: 0.927261241106685
Energy: 0.9451829214214699
Energy: 0.9272612411077131
Energy: 0.9451829214230119
Energy: 0.9685100435815178
Energy: 0.9227239771280702
Energy: 0.9685100435804899
Energy: 0.9227239771301261
Energy: 0.9685100435820319
Energy: 0.922723977128584
Energy: 0.9685100435804899
Energy: 0.955652333746466
Energy: 0.9762555990103008
Energy: 0.9556523337510919
Energy: 0.9762555990103008
Energy: 0.9556523337469801
Energy: 0.9762555990097869
Energy: 0.95565233375212
Energy: 0.903967680795119
Energy: 1.013089075557037
Energy: 0.9039676807899791
Energy: 1.013089075552925
Energy: 0.903967680794605
Energy: 1.013089075557551
Energy: 0.9039676807899791
Energy: 0.947829699910932
Energy: 0.9264912586086418
Energy: 0.9478296999068201
Energy: 0.9264912586101838
Energy: 0.9478296999114462
Energy: 0.9264912586091558
Energy: 0.9478296999078482
Energy: 0.9504047444186842
Energy: 0.9194616216994173
Energy: 0.9504047444222822
Energy: 0.9194616217050711
Energy: 0.9504047444191982
Energy: 0.9194616217025012
Energy: 0.9504047444212542
Energy: 0.9396140154915549
Energy: 1.0589363282121822
Energy: 0.9396140154889848
Energy: 1.058936328208117
Energy: 0.9396140154920688
Energy: 1.0589363282116682
Energy: 0.9396140154884707
Energy: 0.9063154544622091
Energy: 0.9258530922394879
Energy: 0.906315454456555
Energy: 0.9258530922410299
Energy: 0.9063154544622091
Energy: 0.925853092238974
Energy: 0.906315454457583
Energy: 0.9380764603987699
Energy: 0.9390667426391073
Energy: 0.9380764603992838
Energy: 0.9390667426319113
Energy: 0.9380764603987699
Energy: 0.9390667426385931
Energy: 0.9380764604008257

minimum gb energy = 0.9039291970569272 eV
minimum distance =  2.27083225969913 Angstroms
sigma value = 365


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

Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 0.3198023015417262
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 2.6003195554971263
Energy: 1.0715909150424172
Energy: 2.6005589530737057
Energy: 1.071590915044735
Energy: 2.6004496068163365
Energy: 1.0715909150424172
Energy: 2.60044845107521
Energy: 0.4051822673775335
Energy: 0.31980230154404393
Energy: 0.40518226737869234
Energy: 0.31980230154404393
Energy: 0.4051822673775335
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 2.6003073785171966
Energy: 1.071590915044735
Energy: 2.6003061184352037
Energy: 1.071590915043576
Energy: 2.600311793900288
Energy: 1.071590915044735
Energy: 2.600303341497023
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673798512
Energy: 0.3198023015417262
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 1.9441234863712356
Energy: 1.071590915044735
Energy: 1.9441234897478303
Energy: 1.0715909150424172
Energy: 1.9441235469878042
Energy: 1.071590915044735
Energy: 1.9441235663600758
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673775335
Energy: 0.31980230154404393
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673775335
Energy: 1.9441235285711498
Energy: 1.0715909150424172
Energy: 1.944123544902766
Energy: 1.071590915044735
Energy: 1.9441235233910164
Energy: 1.0715909150424172
Energy: 1.9441235641140342
Energy: 0.40518226737869234
Energy: 0.3198023015417262
Energy: 0.4051822673798512
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 0.3198023015405674
Energy: 0.4051822673798512
Energy: 1.944123496968991
Energy: 1.071590915043576
Energy: 1.9441234601472972
Energy: 1.071590915043576
Energy: 1.9441234538412462
Energy: 1.071590915043576
Energy: 1.9441234708898585
Energy: 0.4051822673775335
Energy: 0.31980230154404393
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673775335
Energy: 0.31980230154404393
Energy: 0.40518226737869234
Energy: 1.84526826378054
Energy: 1.071590915044735
Energy: 1.8452625413906316
Energy: 1.0715909150424172
Energy: 1.845263043720401
Energy: 1.071590915043576
Energy: 1.8452510094702665
Energy: 0.4051822673798512
Energy: 0.3198023015417262
Energy: 0.4051822673798512
Energy: 0.3198023015417262
Energy: 0.4051822673798512
Energy: 0.3198023015417262
Energy: 0.40518226737869234
Energy: 1.8452142281225168
Energy: 1.071590915043576
Energy: 1.8451787456418376
Energy: 1.071590915044735
Energy: 1.845203644685134
Energy: 1.071590915043576
Energy: 1.845254339119596
Energy: 0.4051822673775335
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 0.31980230154404393
Energy: 0.4051822673775335
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 1.8452396477292152
Energy: 1.071590915043576
Energy: 1.8452313685181327
Energy: 1.071590915043576
Energy: 1.8452203055855507
Energy: 1.071590915044735
Energy: 1.845283597279037
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673798512
Energy: 0.3198023015405674
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673798512
Energy: 1.8452480978702146
Energy: 1.071590915044735
Energy: 1.845163653981773
Energy: 1.0715909150424172
Energy: 1.8452634941594976
Energy: 1.071590915044735
Energy: 1.845283558467306
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673775335
Energy: 0.3198023015428851
Energy: 0.40518226737869234
Energy: 0.3198023015428851
Energy: 0.4051822673775335
Energy: 1.845185804583497
Energy: 1.071590915043576
Energy: 1.8452060242378912
Energy: 1.071590915044735
Energy: 1.8451769888399636
Energy: 1.071590915043576
Energy: 1.8452790722729913

minimum gb energy = 0.3198023015405674 eV
minimum distance =  2.24375122611388 Angstroms
sigma value = 23