Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.167413122951984
cohesive_energy=6.81791387822765
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.97554060734286e-20, 1.98394328234952e-19, 3.17860628949162e-19, 4.2712587103469394e-19, 5.286013303257179e-19, 6.174452290342859e-19, 6.91565124476394e-19, 7.539234412483079e-19, 8.055776159284679e-19, 8.4808015767522e-19, 8.84750776474212e-19, 9.182138376519359e-19, 9.49090985742384e-19, 9.7718355084294e-19, 1.002215958572556e-18, 1.0239847324987139e-18, 1.0422735787758238e-18, 1.057127358349638e-18, 1.0688552913105179e-18, 1.077829082637552e-18, 1.0844204373098278e-18, 1.0888969188252238e-18, 1.0914459818499179e-18, 1.0922646941098919e-18, 1.0913706795481199e-18, 1.0883986418920498e-18, 1.082834282442168e-18, 1.074033526191606e-18, 1.0614051699624179e-18, 1.0440055317171779e-18, 1.0217945570400359e-18, 9.9468733056939e-19, 9.61555919954904e-19, 9.21490288868466e-19, 8.73317644013988e-19, 8.157225983749559e-19, 7.47505121652504e-19, 6.67047015446292e-19, 5.71730323136364e-19, 4.57551205314354e-19, 3.1632253938052197e-19, 1.337034025015974e-19, -1.1139341330847418e-19, -4.3413379163181e-19, -8.38101801598668e-19, -1.314012348962028e-18, -1.86361981713612e-18, -2.51248533213978e-18, -3.36054946804866e-18, -4.4177136764608794e-18, -5.31143984643876e-18, -5.595393611282579e-18, -4.96839780733302e-18, -5.463502430771699e-18]
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: 0.01937671876846057
Energy: 0.2603750321882432
Energy: 0.25953826600224605
Energy: 0.25992739735715553
Energy: 0.10201809964065754
Energy: 0.10175709998104607
Energy: 0.26033666522290083
Energy: 0.25951737077088455
Energy: 0.10226300888102746
Energy: 0.021252758849622532
Energy: 0.2600218963912722
Energy: 0.26113515538326304
Energy: 0.10190458876012978
Energy: 0.019886654374755165
Energy: 0.02086351142185636
Energy: 0.10219354051552355
Energy: 0.25961870062342324
Energy: 0.10175591342851759
Energy: 0.10202635325088613
Energy: 0.1018952788403333
Energy: 0.10193390890391403
Energy: 0.10222987200209487
Energy: 0.10194410970125575
Energy: 0.021688701565446313
Energy: 0.2597239533127848
Energy: 0.10195052715519244
Energy: 0.01991999420097369
Energy: 0.020080042172257943
Energy: 0.1022453104800316
Energy: 0.2602543257386002
Energy: 0.019903510549698862
Energy: 0.10232016388461529
Energy: 0.2597297881607964
Energy: 0.259562603117003
Energy: 0.10228830109704924
Energy: 0.10216173892156881
Energy: 0.020857585969166075
Energy: 0.019424376475309577
Energy: 0.2595931725013121
Energy: 0.020501347874334303
Energy: 0.020080735818333275
Energy: 0.259676643551613
Energy: 0.2597160467260377
Energy: 0.01960630039798783
Energy: 0.019484467443166235
Energy: 0.10229361274484278
Energy: 0.10225166669516726
Energy: 0.2599226437787194
Energy: 0.10228967969218841
Energy: 0.019437672284994944
Energy: 0.1018536130533759
Energy: 0.2595159029167021
Energy: 0.10186575132447832
Energy: 0.019972670299096554
Energy: 0.020500991096076417
Energy: 0.25988034432345464
Energy: 0.019437175740469066
Energy: 0.019969662407757157
Energy: 0.10194677067451355
Energy: 0.10234298087261295
Energy: 0.021288761173567507
Energy: 0.10201413308341392
Energy: 0.10221653207298403
Energy: 0.1016557872195538
Energy: 0.26022840256441376
Energy: 0.10204727404829396
Energy: 0.02009029444981574
Energy: 0.019882407056037464
Energy: 0.10175096797872955
Energy: 0.26006377533385816

minimum gb energy = 0.01937671876846057 eV
minimum distance =  2.74161486956875 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 3.232727276223872
Energy: 2.2005610129094046
Energy: 2.241178609314424
Energy: 2.1664504881923343
Energy: 2.1994295097691436
Energy: 2.1896664286629823
Energy: 2.1889611037627708
Energy: 2.1721859354859894
Energy: 2.2392152571309354
Energy: 2.1198965605094
Energy: 2.098160110932393
Energy: 2.195111571541525
Energy: 2.2008286945923152
Energy: 2.120373002337225
Energy: 2.1817645945321735
Energy: 2.2357002141742504
Energy: 2.235191305188949
Energy: 2.192861871641042
Energy: 2.187590508559804
Energy: 2.1985942016015496
Energy: 2.173458371556973
Energy: 2.1240450664911688
Energy: 2.202705917453538
Energy: 2.1158494319247954
Energy: 2.197943676858183
Energy: 2.2007489446494923
Energy: 2.1755302262269
Energy: 2.1212902426187537
Energy: 2.1984481459505596
Energy: 2.202394199084874
Energy: 2.1039076426008587
Energy: 2.198625607458007
Energy: 2.1979704323942153
Energy: 2.1088589109148335
Energy: 2.11093278369091
Energy: 2.1425003535585367
Energy: 2.190647829878281
Energy: 2.1034343083144873
Energy: 2.199977625569787
Energy: 2.109678951880367
Energy: 2.1032646761752627
Energy: 2.215020301119159
Energy: 2.1897417816661955
Energy: 2.26904227629133
Energy: 2.1499627737431073
Energy: 2.1882991528509823
Energy: 2.1624573061947463
Energy: 2.115660263495754
Energy: 2.1234577255279383
Energy: 2.12361570483301
Energy: 2.2330307287235125
Energy: 2.108414801264961
Energy: 2.118520448041847
Energy: 2.118924389797623
Energy: 2.189556320232652
Energy: 2.13924699993329
Energy: 2.1228447569699185
Energy: 2.110083729652771
Energy: 2.1230901611063513
Energy: 2.1240194497956617
Energy: 2.0977179421147403
Energy: 2.108827293029325
Energy: 2.110668124619006
Energy: 2.1086569409495235
Energy: 2.1063906921488638
Energy: 2.1107146111262405
Energy: 2.110302709155841
Energy: 2.123989438129936
Energy: 2.121892648346436
Energy: 2.10955888616632
Energy: 2.0987702664719787
Energy: 2.108369901268461
Energy: 2.1081813090402663
Energy: 2.1039014918553236
Energy: 2.1015523173243773
Energy: 2.1052452134274646
Energy: 2.110371967680245
Energy: 2.3380448405970107
Energy: 2.3063970258290345
Energy: 2.0983645679393774
Energy: 2.0980734957137717
Energy: 2.1099644154981965
Energy: 2.1049503504990157
Energy: 2.1025168345919676
Energy: 2.103134288660377
Energy: 2.1064759620784943
Energy: 2.102273681614961
Energy: 2.1052243096747456
Energy: 2.107629967009246
Energy: 2.098099229526336
Energy: 2.1315832136496953
Energy: 2.1314795088189236
Energy: 2.1051389361559347
Energy: 2.1046754866593074
Energy: 2.1038574346965806
Energy: 2.1251879099471402
Energy: 2.1073887590145204
Energy: 2.1062615219997114
Energy: 2.0983300015876516
Energy: 2.106595616022611
Energy: 2.131101486905697
Energy: 2.131827764348753
Energy: 2.1328947272684857
Energy: 2.131263217628512
Energy: 2.128666420931295
Energy: 2.1062660993522844
Energy: 2.114651140925963
Energy: 2.1053896904210507
Energy: 2.097992593901792
Energy: 2.1326293834837484
Energy: 2.130102109414933
Energy: 2.1302967124724117
Energy: 2.181328791383613
Energy: 2.1656007971172744
Energy: 2.164843395481624
Energy: 2.280666060342844
Energy: 2.166017582983975
Energy: 2.133144300154687
Energy: 2.1065780851091374
Energy: 2.1323144249045454
Energy: 2.229840108010542
Energy: 2.1313390531613323
Energy: 2.1622303594438477
Energy: 2.1633249214431554
Energy: 2.149447734546937
Energy: 2.1024686679569737
Energy: 2.231679290783898
Energy: 2.2275631842219825
Energy: 2.110874341080007
Energy: 2.198568475114516
Energy: 2.203291124452303
Energy: 2.1839944617676608
Energy: 2.107250713140649
Energy: 2.1259583570955582
Energy: 2.2073974239403333
Energy: 2.0831752498790115
Energy: 2.2293478714422634
Energy: 2.1305964655521277
Energy: 2.1107418548663857
Energy: 2.1069386220814086
Energy: 2.1647170845045136
Energy: 2.125615221579373
Energy: 2.130573267331238
Energy: 2.2297851840164755
Energy: 2.2285655611957966
Energy: 2.1003852961120812
Energy: 2.2288596614807106
Energy: 2.231799698153189
Energy: 2.137418780419831
Energy: 2.1426483098922877
Energy: 2.1874008073037765
Energy: 2.141129876938204
Energy: 2.1206812670013524
Energy: 2.1998596414820715
Energy: 2.2295787911773535
Energy: 2.103812978696455
Energy: 2.1693233902244162
Energy: 2.124527539876571
Energy: 2.1537477086720003
Energy: 2.18172813250976
Energy: 2.0955189169005606
Energy: 2.1854355565847796
Energy: 2.1211778236553536
Energy: 2.23176369178161
Energy: 2.230963875773946
Energy: 2.2068389976584286
Energy: 2.125086843894289
Energy: 2.1687511517477187
Energy: 2.1002124805214546
Energy: 2.0983010932194057
Energy: 2.1438239834782444
Energy: 2.1209294628223083
Energy: 2.245569458881256
Energy: 2.1646297613334444
Energy: 2.1829652696011097
Energy: 2.103967084978216
Energy: 2.1636865517296817
Energy: 2.163435673371495
Energy: 2.10557220899982
Energy: 2.134154542764466
Energy: 2.1951111181999132
Energy: 2.2012480380658177
Energy: 2.1795759304013727
Energy: 2.121841695450607
Energy: 2.12223603900872
Energy: 2.104816988179643
Energy: 2.242214767722686
Energy: 2.1252519495857833
Energy: 2.29248672490903
Energy: 2.135683514869107
Energy: 2.146777404126242
Energy: 2.1242584242475573
Energy: 2.1095468044407752
Energy: 2.1261001613356405
Energy: 2.1234412199996506
Energy: 2.1085187455669523
Energy: 2.105319979902581
Energy: 2.1134653097151572
Energy: 2.1066432557846193
Energy: 2.197847882614718
Energy: 2.111211649732323
Energy: 2.122828566536215
Energy: 2.1234941526088984
Energy: 2.121847178452777
Energy: 2.149176860230281
Energy: 2.0979613048941324
Energy: 2.105943823812609
Energy: 2.112924380845985
Energy: 2.109248259120801
Energy: 2.1041579427513653
Energy: 2.1044548843027098
Energy: 2.109489136073737
Energy: 2.2822536091964447
Energy: 2.2200801363915366
Energy: 2.103238637931883
Energy: 2.1070300189809448
Energy: 2.10638301073387
Energy: 2.1053463181272596
Energy: 2.1065020018438014
Energy: 2.1031650623965565
Energy: 2.1049043111447587
Energy: 2.1030825242736544
Energy: 2.1087358544197854
Energy: 2.1099604525898075
Energy: 2.102180719603004
Energy: 2.0984227724511357
Energy: 2.105732001964503
Energy: 2.110781553144286
Energy: 2.1054238014695725
Energy: 2.1068886126426656
Energy: 2.1102607028163574
Energy: 2.1102194517378132
Energy: 2.1087877522687157
Energy: 2.098526485525636
Energy: 2.1076089011471204
Energy: 2.216677095908448
Energy: 2.3356781928186052
Energy: 2.108763203072674
Energy: 2.1085041978047556
Energy: 2.105486700531632
Energy: 2.1168580127312095
Energy: 2.1171534095610673
Energy: 2.107090212536937
Energy: 2.0998152936903303
Energy: 2.1235569767529614
Energy: 2.126738596393172
Energy: 2.1258445772421255
Energy: 2.1230786661071837
Energy: 2.1116036907964815
Energy: 2.1085196842410627
Energy: 2.1107872750055585
Energy: 2.1876909473795036
Energy: 2.117587283348892
Energy: 2.1074805119634243
Energy: 2.122823816739731
Energy: 2.1208767582421464
Energy: 2.1078251294971393
Energy: 2.1723406643700867
Energy: 2.1896322643266424
Energy: 2.1883289679448414
Energy: 2.113861995768213
Energy: 2.192229489309045
Energy: 2.2026880626516907
Energy: 2.1560760322754455
Energy: 2.184291387546391
Energy: 2.121933149602195
Energy: 2.1718688989556316
Energy: 2.1860672203308327
Energy: 2.1888973328464463
Energy: 2.152178855680856
Energy: 2.0978666043378364
Energy: 2.199586170349154
Energy: 2.123482332738044
Energy: 2.11390350760887
Energy: 2.1962438066007213
Energy: 2.1999110618983315
Energy: 2.184098416410109
Energy: 2.107036149921667
Energy: 2.199518969383042
Energy: 2.1661303239349117
Energy: 2.1086836818397336
Energy: 2.1893510673146417
Energy: 2.2178261835850943
Energy: 2.16669684081692
Energy: 2.2125925659452657
Energy: 2.202282180350026
Energy: 2.1791120920309472
Energy: 2.2323818345972763
Energy: 2.1234097729910517
Energy: 2.17524381181203

minimum gb energy = 2.0831752498790115 eV
minimum distance =  2.38573380072632 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.2485086899190394
Energy: 2.2774918024803044
Energy: 2.277285900836835
Energy: 2.2356313521034554
Energy: 2.2745936808421487
Energy: 2.222938513076849
Energy: 2.2244845235391724
Energy: 2.242416620804375
Energy: 2.27735387314586
Energy: 2.2896323165821446
Energy: 2.245584725413638
Energy: 2.2229655688055736
Energy: 2.275074392805079
Energy: 2.277111126106846
Energy: 2.2775156610825227
Energy: 2.2749631185628414
Energy: 2.2434813026519214
Energy: 2.2274883366385385
Energy: 2.225720942171795
Energy: 2.276804677314381
Energy: 2.2449559557528063
Energy: 2.2750432215607947
Energy: 2.2744595374597805
Energy: 2.2403735229475528
Energy: 2.2769720506773536
Energy: 2.277755451239554
Energy: 2.2411823731292078
Energy: 2.184641212366663
Energy: 2.444811632512007
Energy: 2.409262438395265
Energy: 2.224589979767565
Energy: 2.443598508497241
Energy: 2.443760361246449
Energy: 2.2272790289412945
Energy: 2.2695181515891325
Energy: 2.2268088452786774
Energy: 2.225814458253191
Energy: 2.303139362040326
Energy: 2.27463967350512
Energy: 2.3104856704050105
Energy: 2.296575627520709
Energy: 2.3124508545458244
Energy: 2.2254389724799943
Energy: 2.2274887099413543
Energy: 2.225096942762475
Energy: 2.2265583964196973
Energy: 2.2252767506997513
Energy: 2.236267383475521
Energy: 2.2528289935194596
Energy: 2.2352595442477057
Energy: 2.2436641279918534
Energy: 2.2052365080006227
Energy: 2.3051309909402913
Energy: 2.3051473684077863
Energy: 2.227508003534357
Energy: 2.226347419372881
Energy: 2.2556375754735387
Energy: 2.23511575286764
Energy: 2.23557259288672
Energy: 2.236607061281201
Energy: 2.239036718014372
Energy: 2.2401173374188894
Energy: 2.247774754142852
Energy: 2.3503511702700366
Energy: 2.4885576548552746
Energy: 2.238648591605596
Energy: 2.2464851455347636
Energy: 2.25478473693851
Energy: 2.2349338769777876
Energy: 2.244742323039264
Energy: 2.238655163387482
Energy: 2.246485765486582
Energy: 2.20512377297596
Energy: 2.46111122570106
Energy: 2.345561349518111
Energy: 2.302680006511429
Energy: 2.3019132194937257
Energy: 2.2552932958951737
Energy: 2.2355645099740893
Energy: 2.239663029283136
Energy: 2.2468097533583937
Energy: 2.282731948012968
Energy: 2.2037361154812936
Energy: 2.3707802585981095
Energy: 2.3029895809485925
Energy: 2.4187926443303938
Energy: 2.3454004291812063
Energy: 2.3034979539185865
Energy: 2.251062987445482
Energy: 2.26667386226982
Energy: 2.282940768605057
Energy: 2.2559814317021716
Energy: 2.3020043624820046
Energy: 2.2772753386500115
Energy: 2.2788073153121893
Energy: 2.30785026436021
Energy: 2.4612929836112314
Energy: 2.4617794530066117
Energy: 2.211105447141674
Energy: 2.303109730149068
Energy: 2.2250928658101317
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Energy: 2.2814100067886054
Energy: 2.3027699251227354
Energy: 2.3023516238420734
Energy: 2.1927462794099974
Energy: 2.2807445289525186
Energy: 2.238674955807811
Energy: 2.240577359931585
Energy: 2.2331805789238075
Energy: 2.3028487587417716
Energy: 2.371080899717582
Energy: 2.228980988628606
Energy: 2.2819956830683137
Energy: 2.281784636215047
Energy: 2.1937951704514957
Energy: 2.2829623460241417
Energy: 2.2830613826158612
Energy: 2.251462745689468
Energy: 2.2250052378798144
Energy: 2.3706628556249023
Energy: 2.204453314910067
Energy: 2.229253119270158
Energy: 2.28107346039329
Energy: 2.4640136377694253
Energy: 2.256346443925727
Energy: 2.3022856293097558
Energy: 2.30253484146159
Energy: 2.195289932009897
Energy: 2.3707637185072676
Energy: 2.302790788443795
Energy: 2.461873698001295
Energy: 2.461860785731472
Energy: 2.4612084655965667
Energy: 2.328936966493594
Energy: 2.2731245286043738
Energy: 2.233547753992985
Energy: 2.2334206985792626
Energy: 2.3028802311788072
Energy: 2.275324063387681
Energy: 2.239033090506009
Energy: 2.2487877926406004
Energy: 2.205475052745114
Energy: 2.328795640152844
Energy: 2.2340851269777824
Energy: 2.233689726584474
Energy: 2.233152309873807
Energy: 2.23322549192427
Energy: 2.259123755470654
Energy: 2.2405860376398783
Energy: 2.23815907288713
Energy: 2.2397666843028543
Energy: 2.2432360800682476
Energy: 2.205527781617402
Energy: 2.2830667777680875
Energy: 2.3122320754210848
Energy: 2.2335133503272795
Energy: 2.2381652473055063
Energy: 2.2583502711346477
Energy: 2.238085809049279
Energy: 2.239285362463604
Energy: 2.242722443737656
Energy: 2.241960976018343
Energy: 2.241857957648517
Energy: 2.2422441786155782
Energy: 2.246287862730046
Energy: 2.233962002318942
Energy: 2.23838161791193
Energy: 2.2383661205085392
Energy: 2.258793676074651
Energy: 2.240712354539466
Energy: 2.242519172355033
Energy: 2.2464125165314255
Energy: 2.2925646382615743
Energy: 2.2068005328444227
Energy: 2.3719434390056837
Energy: 2.4010309799752
Energy: 2.2899097336528857
Energy: 2.314826636584012
Energy: 2.3127230154566343
Energy: 2.2090079398130578
Energy: 2.2959984500604618
Energy: 2.2862977910231628
Energy: 2.3675222176071227
Energy: 2.3721870035638224
Energy: 2.3151853532872044
Energy: 2.2376203159584827
Energy: 2.234289479833832
Energy: 2.5034986350102093
Energy: 2.3249899746797382
Energy: 2.228926081046618
Energy: 2.3052613160766104
Energy: 2.3148834907302436
Energy: 2.2252336556481405
Energy: 2.2248127716955923
Energy: 2.226581333951448
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minimum gb energy = 2.183458921468922 eV
minimum distance =  2.3733369832477 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.2237998331405437
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Energy: 2.2325631061753737
Energy: 2.2335723793364215
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Energy: 2.2265135341291167
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Energy: 2.2659425097954666
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Energy: 2.3215913120499603
Energy: 2.301934922726949
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Energy: 2.22410848942991
Energy: 2.225974484409546
Energy: 2.439959405085244
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Energy: 2.2998150177968317
Energy: 2.3003789531872996
Energy: 2.2296493499920436
Energy: 2.4173123627277917
Energy: 2.220575705093332
Energy: 2.342433269996658
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Energy: 2.3117943459230674
Energy: 2.298625233335394
Energy: 2.2748268805003344
Energy: 2.4180678039314754
Energy: 2.417413720109336
Energy: 2.19811017190352
Energy: 2.3291643647742775
Energy: 2.300579583020411
Energy: 2.267954686525042

minimum gb energy = 2.190718897307976 eV
minimum distance =  2.43433069951172 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.9492293783118537
Energy: 2.2030178356156234
Energy: 2.2337511038389546
Energy: 2.2448910249956286
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Energy: 2.1332033885166437
Energy: 2.166322144130394
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Energy: 2.203255137113243
Energy: 2.401801704816049
Energy: 2.256730284129114
Energy: 2.1371554020661376
Energy: 2.1664716086280236
Energy: 2.133321951841971
Energy: 2.1658747804455714
Energy: 2.2704277039942697
Energy: 2.269381722726664
Energy: 2.2394857081437927
Energy: 2.2722027796233264
Energy: 2.2391807754526463
Energy: 2.286072569093338
Energy: 2.1324421724914724
Energy: 2.1667239409436965
Energy: 2.1342505835628787
Energy: 2.437465150556138
Energy: 2.256792931313933
Energy: 2.244780049742433
Energy: 2.240163315859899
Energy: 2.1045228521064976
Energy: 2.270334950660439
Energy: 2.4485318516414907
Energy: 2.393241403434866
Energy: 2.2380263908376756
Energy: 2.135000520937342

minimum gb energy = 2.085952095528002 eV
minimum distance =  2.42611750873089 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 3.964593889315358
Energy: 2.268753781144299
Energy: 2.3880507304624197
Energy: 2.116802575603598
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Energy: 2.09388949046537
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Energy: 2.1943246437210147
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Energy: 2.1282376532515004
Energy: 2.0203971940690395
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Energy: 2.1468265703586646
Energy: 2.1669335539225676
Energy: 2.1713940933509
Energy: 2.1333153776617984
Energy: 2.150841806053945
Energy: 2.2838945106602675
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Energy: 2.1988938523606643
Energy: 2.2605349353286157
Energy: 2.153359019615319
Energy: 2.145866143255045
Energy: 2.170808569722799
Energy: 2.173185511555631
Energy: 2.1519907407358763
Energy: 2.1520196273498
Energy: 2.1942487974333487
Energy: 2.3565376978436645
Energy: 2.3724756169128542
Energy: 2.3352012968894496
Energy: 2.236872542211696
Energy: 2.1662405424216344
Energy: 2.171288047583482
Energy: 2.1702825363035037
Energy: 2.162133592817551
Energy: 2.150748586530608
Energy: 2.275836779562126
Energy: 2.1954045786522545
Energy: 2.3297557767902113
Energy: 2.2718645849443475
Energy: 2.3331898885663347
Energy: 2.1485602991872277
Energy: 2.144508047238116
Energy: 2.1364774182239246
Energy: 2.2690148798619045
Energy: 2.110437201831862
Energy: 2.296784166949996
Energy: 2.1706079983700857
Energy: 2.1682570030605035
Energy: 2.136534553799396
Energy: 2.2722223913131563
Energy: 2.3168603539277446
Energy: 2.288294923934057

minimum gb energy = 1.9763770221300052 eV
minimum distance =  2.43064363886821 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 2.0431368428386176
Energy: 2.4924708304623966
Energy: 2.236613606567981
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Energy: 2.5020763508339607
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Energy: 1.997056531899174
Energy: 1.9972833669571868
Energy: 2.285000611318864
Energy: 2.5077463552378823
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Energy: 2.2388688055048633
Energy: 2.398672290976685
Energy: 1.997558457213727
Energy: 1.9979251879822133
Energy: 1.9970119211389878
Energy: 1.9970273884982466
Energy: 2.0467342350185946
Energy: 2.0529950841936424
Energy: 2.10759761113856
Energy: 2.214580603512031
Energy: 2.237862283792693
Energy: 2.508326609148857
Energy: 2.5379636772640777
Energy: 2.4976992810714944
Energy: 2.2853843405609475
Energy: 2.2856985900149156
Energy: 2.285330865623522
Energy: 2.0463189984098604
Energy: 2.2157011189985787
Energy: 2.053559428766646
Energy: 2.0432567616982005
Energy: 1.966123767940892
Energy: 2.1393065085958765
Energy: 2.4968874683998696
Energy: 2.4968269901706557
Energy: 2.424469962358553
Energy: 2.5116719279963116
Energy: 2.515100296127013
Energy: 2.214282860083551
Energy: 2.2416862642109323
Energy: 2.241592813363329
Energy: 1.944358357211455
Energy: 1.9659494044845627
Energy: 2.042572505909992
Energy: 2.042093654928018

minimum gb energy = 1.8961415175438399 eV
minimum distance =  2.41547245324965 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.7336274391453563
Energy: 2.282724697421992
Energy: 2.369640116469763
Energy: 2.1803009532979925
Energy: 2.3710409610943066
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Energy: 2.5190606445741093
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Energy: 2.106532224541085
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Energy: 2.1832200144387457
Energy: 2.1722764511594908
Energy: 2.1816171834036253
Energy: 2.464439368541893
Energy: 2.15470398968202
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Energy: 2.1812509289637303
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Energy: 2.3707849887228254
Energy: 2.5161486002184876
Energy: 2.5126084504552666
Energy: 2.370130679224115
Energy: 2.289003115836888

minimum gb energy = 2.0642110681268546 eV
minimum distance =  2.40975048493324 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 2.0034435428232986
Energy: 2.1400569579259394
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Energy: 1.9843560035042531
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Energy: 2.1401737995303307
Energy: 1.9845502840444273
Energy: 1.9844257713341762
Energy: 2.287239991590116
Energy: 2.0059278818543227

minimum gb energy = 1.9843560035042531 eV
minimum distance =  2.44552400199231 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 2.3632760738800584
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minimum gb energy = 2.233659791515661 eV
minimum distance =  2.36186311923351 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.337647305038216
Energy: 2.3985002389443624
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Energy: 2.4317646725017426
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Energy: 2.326161490288938
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Energy: 2.345669472613675
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Energy: 2.283538439577704
Energy: 2.2814967796673398
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Energy: 2.3378016644808097
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Energy: 2.3378465573197627
Energy: 2.337291323371921
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Energy: 2.346603980154059
Energy: 2.3795957366434273
Energy: 2.345325900993888
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Energy: 2.3457228911826875
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Energy: 2.347012196851053
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Energy: 2.34546699606916
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Energy: 2.465456800195925
Energy: 2.433985632183306
Energy: 2.3988626633008674
Energy: 2.3478865153560426
Energy: 2.3599745917057984
Energy: 2.3059603312667685
Energy: 2.280915225181024
Energy: 2.4670245714410277
Energy: 2.2777384713129645
Energy: 2.277163087904035
Energy: 2.3368973279966503
Energy: 2.2811189190902232
Energy: 2.434022010504922
Energy: 2.2827584957489506
Energy: 2.3777044023734977
Energy: 2.345701192181045
Energy: 2.2816556572831965
Energy: 2.281020079143727
Energy: 2.4656177835729167
Energy: 2.5205280219919723
Energy: 2.2808659066463375
Energy: 2.3845324156523358
Energy: 2.4331258212575415
Energy: 2.281374344635755
Energy: 2.2821385870739888
Energy: 2.345735762182221
Energy: 2.3567994548610454
Energy: 2.3397984264336853
Energy: 2.4650128499242125
Energy: 2.4324216039310516
Energy: 2.3809984282092556
Energy: 2.338371783604512
Energy: 2.2814124027733427
Energy: 2.281345401342624
Energy: 2.325693466026349
Energy: 2.3395839490580634
Energy: 2.3471305595221543
Energy: 2.3058550021654516
Energy: 2.4313939121248005
Energy: 2.302393074985035

minimum gb energy = 2.2519750893073 eV
minimum distance =  2.3533387968996 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 2.0815911837260637
Energy: 2.145575282091209
Energy: 2.081614785710271
Energy: 2.0814837500336485
Energy: 2.0816886513189323
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Energy: 2.0827535306099554
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Energy: 2.015673609149874
Energy: 2.147395656241581
Energy: 2.08204215161611
Energy: 2.077322391522231
Energy: 2.0830559129583976
Energy: 2.0819764491298094
Energy: 2.0822149435230726
Energy: 2.081779037192784
Energy: 2.080703350298178
Energy: 2.015326877910122
Energy: 2.015238672473983
Energy: 2.0815570409824367
Energy: 2.0816487496593075
Energy: 2.0819796149770515
Energy: 2.0818310390835832
Energy: 2.0818277430456957
Energy: 2.082202408886198
Energy: 2.081777423132014
Energy: 2.0819293870439513
Energy: 2.0815504580447874
Energy: 2.081940834457996
Energy: 2.0811290171939536
Energy: 2.082069639728243
Energy: 2.147095690926459
Energy: 2.147173494186801
Energy: 2.0826991778905466
Energy: 2.081716783668363
Energy: 2.0815806578570277
Energy: 2.0826543685617684
Energy: 2.081622408698104
Energy: 2.080743246560853
Energy: 2.0821650123999182
Energy: 2.0812973634528773
Energy: 2.081806862323449
Energy: 2.082506477238035
Energy: 2.0815073078419393
Energy: 2.080898810420279
Energy: 2.082332463660511
Energy: 2.0813665902635985
Energy: 2.08204518907252
Energy: 2.0819370993567627
Energy: 2.014904449314927
Energy: 2.016100175038754
Energy: 2.0819570098348414
Energy: 2.082183259272941
Energy: 2.07732948277214
Energy: 2.0815114281044105
Energy: 2.080697566369376
Energy: 2.0817360984761724
Energy: 2.0831034176887155
Energy: 2.081385494044985
Energy: 2.0153905968611543
Energy: 2.081974996796149
Energy: 2.0812669271813817
Energy: 2.082138636490779
Energy: 2.0810565833852763
Energy: 2.147270097303006
Energy: 2.081547608806195
Energy: 2.0807378441425097
Energy: 2.081823301603753
Energy: 2.1471434836702086
Energy: 2.147200052013355
Energy: 2.081944327901193
Energy: 2.0157772187648355
Energy: 2.082263202056557
Energy: 2.082070295757539
Energy: 2.081093244130342
Energy: 2.081854984444509
Energy: 2.0818392017963983
Energy: 2.081670981136458
Energy: 2.0816365106754637
Energy: 2.08221904461063
Energy: 2.0823025509291018

minimum gb energy = 2.0147372474328655 eV
minimum distance =  2.5099942985594 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.644203279782815
Energy: 2.288134574793142
Energy: 2.2619986635683
Energy: 2.342142630509835
Energy: 2.3073698833817473
Energy: 2.260685246108457
Energy: 2.26003427098685
Energy: 2.33027831760659
Energy: 2.287573427487451
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Energy: 2.349339229801115
Energy: 2.491775653462412
Energy: 2.4083166884125533
Energy: 2.295812895704323
Energy: 2.3790434445168653
Energy: 2.269728810458546
Energy: 2.2699895898567517
Energy: 2.267891687974238
Energy: 2.3308238498263294
Energy: 2.3376181264169618
Energy: 2.418904737417355
Energy: 2.3527010186813
Energy: 2.458627673224716
Energy: 2.262155354645746
Energy: 2.3644375774179847
Energy: 2.267351979107179
Energy: 2.2666820733909585
Energy: 2.2691346361369193
Energy: 2.3198545215638653
Energy: 2.34983430883567
Energy: 2.2804544672656015
Energy: 2.2870636833247575
Energy: 2.3408401235463345
Energy: 2.328070902505398
Energy: 2.3280626215861204
Energy: 2.343236815159667
Energy: 2.346872187043633
Energy: 2.3233422686704186
Energy: 2.315625806351195
Energy: 2.3520693059697937
Energy: 2.357747946393735
Energy: 2.331848223066274
Energy: 2.346807839871262
Energy: 2.3256419399173565
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Energy: 2.268390183984039
Energy: 2.348237927784963
Energy: 2.314666119337451
Energy: 2.3149826614494606
Energy: 2.4123853744692734
Energy: 2.411662390701351
Energy: 2.2821454294605923
Energy: 2.2639446649172714
Energy: 2.4067091983323947
Energy: 2.489943305593377
Energy: 2.3020316960887426
Energy: 2.4122928344651027
Energy: 2.316663160594655
Energy: 2.3200557851491466
Energy: 2.4149453640497347
Energy: 2.4232780016902704
Energy: 2.2575189702073875
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Energy: 2.317946478980327
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Energy: 2.315167967959611
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Energy: 2.41542216887161
Energy: 2.42903279025319
Energy: 2.407349204937319
Energy: 2.406873673770999
Energy: 2.313324228157823
Energy: 2.3222288905921524
Energy: 2.3473255182968855
Energy: 2.2641840405686624
Energy: 2.379982697986379
Energy: 2.410880954974028
Energy: 2.3013651475415338
Energy: 2.310170362917233
Energy: 2.304970473229515
Energy: 2.4066786389192445
Energy: 2.406198514604009
Energy: 2.325890315187988
Energy: 2.2641903374043553
Energy: 2.2660665854338067
Energy: 2.331708579715821
Energy: 2.377293939706806
Energy: 2.3281340431546322
Energy: 2.2609090095120323
Energy: 2.2630677995778923
Energy: 2.34037300521197
Energy: 2.33233514774631
Energy: 2.2646725378894423
Energy: 2.262737776618607
Energy: 2.2639808141426325
Energy: 2.3326765327729437
Energy: 2.2588224402136006
Energy: 2.4910055673427376
Energy: 2.330657695059923
Energy: 2.3330048748478043
Energy: 2.2613862566296152
Energy: 2.2616411579139917
Energy: 2.261335899911961
Energy: 2.262916586467792
Energy: 2.2629642984356835
Energy: 2.3002054424566722
Energy: 2.284856159375786
Energy: 2.410734108654083
Energy: 2.5673544436506464
Energy: 2.3384813474897084
Energy: 2.30561954752076
Energy: 2.2614662460041766
Energy: 2.260590848369536
Energy: 2.2884243317532325
Energy: 2.275574044283595
Energy: 2.3429597930303787
Energy: 2.261763431868962
Energy: 2.4330652211231447
Energy: 2.5433181039912482
Energy: 2.4071466917344666
Energy: 2.2877579035145557
Energy: 2.331214619468728
Energy: 2.2606766501056614
Energy: 2.261411173093455
Energy: 2.3074192035185646
Energy: 2.3063738068143778
Energy: 2.2634795265113605
Energy: 2.2883503937088605
Energy: 2.3269690533327627
Energy: 2.358826646547804
Energy: 2.459112609134813
Energy: 2.2618820126847443
Energy: 2.3289493653329787
Energy: 2.2829539451090417
Energy: 2.3083097159340524
Energy: 2.306837109856239
Energy: 2.305951987910625
Energy: 2.407113430487396
Energy: 2.552275620085743
Energy: 2.4113865292662244
Energy: 2.4305689074463763
Energy: 2.261011716994337
Energy: 2.344392268626101
Energy: 2.2827086059212895
Energy: 2.281117380313394
Energy: 2.3070925844795593
Energy: 2.3082757828113096
Energy: 2.406987553437003
Energy: 2.3448624792511925
Energy: 2.4855894358692256
Energy: 2.326098680991233
Energy: 2.2609582754299167
Energy: 2.2829912500043354
Energy: 2.2808229447388193
Energy: 2.2815159560945446
Energy: 2.4211206588954908
Energy: 2.339716843156528
Energy: 2.2575816233327495
Energy: 2.4197808204467255
Energy: 2.5288763366536338
Energy: 2.2589921896238856
Energy: 2.396423354150351
Energy: 2.369388799160139
Energy: 2.280601835244295
Energy: 2.2832786431511347
Energy: 2.3432124517846504
Energy: 2.4071876122323865
Energy: 2.3082823053528343
Energy: 2.3075170221688945
Energy: 2.4186572782064903
Energy: 2.4475608246415828
Energy: 2.528324268672811
Energy: 2.4048299529289645
Energy: 2.3389541803752505
Energy: 2.3435490711934053
Energy: 2.3435684981920466
Energy: 2.4070286139513604
Energy: 2.528427987257357
Energy: 2.3527584070056546
Energy: 2.267664002390978
Energy: 2.310009083005199
Energy: 2.307675212820511
Energy: 2.4046582533156227
Energy: 2.3423608402552683
Energy: 2.3423088254150075
Energy: 2.2808635898011516
Energy: 2.3698738984123495
Energy: 2.406721628834309
Energy: 2.328005292495013
Energy: 2.262045123433816
Energy: 2.370993045478663
Energy: 2.2602555743070765
Energy: 2.4303494246420767
Energy: 2.3911549131543035
Energy: 2.2815974203258165
Energy: 2.2812562532082117
Energy: 2.3718362498071155
Energy: 2.3708898800018323
Energy: 2.4302348190306997
Energy: 2.288273344199877
Energy: 2.407697159737033
Energy: 2.337237357666116
Energy: 2.3077636256937666
Energy: 2.3356694964065934
Energy: 2.281776985849057
Energy: 2.2799753086233387
Energy: 2.2815951801421277
Energy: 2.2641115685293562
Energy: 2.296603706161668
Energy: 2.5285726808852447
Energy: 2.4895514329082684
Energy: 2.404715664722887
Energy: 2.3558601952660934
Energy: 2.3107266235438675
Energy: 2.307190569010692
Energy: 2.28225896484773
Energy: 2.340826115631196
Energy: 2.2605772274383957
Energy: 2.262836306037048
Energy: 2.3515154301565695
Energy: 2.327787748681283
Energy: 2.2871181163321466
Energy: 2.262789609199378
Energy: 2.3320454705107383
Energy: 2.3071858457357792
Energy: 2.2814045489791464
Energy: 2.260899753353083
Energy: 2.3304715222256025
Energy: 2.2884451070383784
Energy: 2.262615305197884

minimum gb energy = 2.2575189702073875 eV
minimum distance =  2.36145749384965 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.9501751754750245
Energy: 2.377769129721406
Energy: 2.3180973667896363
Energy: 2.3524850485323294
Energy: 2.349317159681384
Energy: 2.3408868699870817
Energy: 2.3408377125350124
Energy: 2.388119966946801
Energy: 2.3718467541552153
Energy: 2.401590299905953
Energy: 2.5760029594822464
Energy: 2.3858167721971535
Energy: 2.194939337937949
Energy: 2.3507541150282627
Energy: 2.3200441362876845
Energy: 2.371974656141462
Energy: 2.336835529221629
Energy: 2.3376197814023785
Energy: 2.25780508830587
Energy: 2.1955889778416813
Energy: 2.6163749050030276
Energy: 2.387234932245727
Energy: 2.195057949446193
Energy: 2.5767852228089745
Energy: 2.352425099861505
Energy: 2.3170881027110988
Energy: 2.339342117637093
Energy: 2.343622590220122
Energy: 2.264786406440461
Energy: 2.2566169257807083
Energy: 2.435374671786863
Energy: 2.3850889432704157
Energy: 2.406345870268408
Energy: 2.33656928815756
Energy: 2.3166497491059723
Energy: 2.3218727219456534
Energy: 2.3193543668525085
Energy: 2.3637628078745916
Energy: 2.302109998158155
Energy: 2.4333485815706926
Energy: 2.3405181676409774
Energy: 2.3188134862330916
Energy: 2.244974659182424
Energy: 2.440964552514332
Energy: 2.3884697718214403
Energy: 2.318556894106154
Energy: 2.3171088895093015
Energy: 2.4463869248563657
Energy: 2.1940578077350423
Energy: 2.2707671637761897
Energy: 2.195083618450553
Energy: 2.19415624027694
Energy: 2.1951823020226007
Energy: 2.6145835889903846
Energy: 2.3192567148814587
Energy: 2.3432839608108527
Energy: 2.377482258027743
Energy: 2.383045863962415
Energy: 2.198619297452587
Energy: 2.193787795792032
Energy: 2.1972605940025174
Energy: 2.1944589858241264
Energy: 2.1949945913068003
Energy: 2.384627606615787
Energy: 2.3457868038422385
Energy: 2.26467468745155
Energy: 2.2466894355627263
Energy: 2.247312737753732
Energy: 2.24490016186977
Energy: 2.194452499802761
Energy: 2.194699923801725
Energy: 2.326358424139198
Energy: 2.4198114924885665
Energy: 2.317554588638698
Energy: 2.2435662398187204
Energy: 2.3658659968518907
Energy: 2.4332390407125026
Energy: 2.345912429100118
Energy: 2.259423527231474
Energy: 2.194548839167862
Energy: 2.5018104905656458
Energy: 2.193664834166859
Energy: 2.3294056694813894
Energy: 2.614755918729959
Energy: 2.3178542429921043
Energy: 2.317669197833448
Energy: 2.408980966477508
Energy: 2.375903742253588
Energy: 2.2653517374103513
Energy: 2.1942663311665984
Energy: 2.574995839719693
Energy: 2.1942515127242928
Energy: 2.195803768180498
Energy: 2.318828459821136
Energy: 2.3185019666175886
Energy: 2.329490271733748
Energy: 2.3714709532930973
Energy: 2.3844879447670837
Energy: 2.2841325939659094
Energy: 2.195451588604115
Energy: 2.37341367273336
Energy: 2.243042316179276
Energy: 2.4093260099532885
Energy: 2.4271238063192824
Energy: 2.3870144637616724
Energy: 2.335004541825844
Energy: 2.332177524430738
Energy: 2.4497976967034956
Energy: 2.3490506911568745
Energy: 2.4745367462042207
Energy: 2.377406383144496
Energy: 2.256941495857306
Energy: 2.24395098903517
Energy: 2.3508288000385913
Energy: 2.333142343483881
Energy: 2.3848842427809007
Energy: 2.3816303609602576
Energy: 2.3497405300134817
Energy: 2.1943029721293144
Energy: 2.385156676513403
Energy: 2.3448600713943684
Energy: 2.195676384784616
Energy: 2.1945137206095406
Energy: 2.5788481515703117
Energy: 2.3502107354312063
Energy: 2.3893091516087743
Energy: 2.3880836949193665
Energy: 2.3404900432602056
Energy: 2.195582145253356
Energy: 2.3851683348140087
Energy: 2.2303549171854224
Energy: 2.4161578084684554
Energy: 2.3166000485171274
Energy: 2.344547756888176
Energy: 2.350843428665385
Energy: 2.3866736988007533
Energy: 2.340849214195196
Energy: 2.3764059584940336
Energy: 2.3733727867637704
Energy: 2.315806717941242

minimum gb energy = 2.193664834166859 eV
minimum distance =  2.34622589058058 Angstroms
sigma value = 33