Model name: model_name=MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645806908607
cohesive_energy=4.290547129760511
mass=55.845
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=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.341272375363839e-19, 5.56621797477744e-19, 5.76557681334606e-19, 5.942344961375279e-19, 6.098909662049759e-19, 6.23736976676004e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014918055671670923
Energy: 0.015271232123407074
Energy: 0.09624025762630559
Energy: 0.09604289139715282
Energy: 0.11029210842292274
Energy: 0.1090800687665285
Energy: 0.10882687618178631
Energy: 0.0952522758973099
Energy: 0.09521333132983031
Energy: 0.017623785660180965
Energy: 0.01514027590100617
Energy: 0.09468339472556038
Energy: 0.10946953509969262
Energy: 0.015653676042759777
Energy: 0.016310781684681083
Energy: 0.09515206832742142
Energy: 0.09481236519496042
Energy: 0.10881324276763053
Energy: 0.09466444275663513
Energy: 0.10965284924982865
Energy: 0.09537443263865723
Energy: 0.09488127296391534
Energy: 0.10863600846532953
Energy: 0.015237434161021824
Energy: 0.09608561294244349
Energy: 0.10871190172806787
Energy: 0.01538382084871736
Energy: 0.015286790084271654
Energy: 0.10892712952192354
Energy: 0.09621354796249948
Energy: 0.01657309944281196
Energy: 0.10902813537786034
Energy: 0.0948382380135249
Energy: 0.09532860067533853
Energy: 0.09501411795140016
Energy: 0.11020860873158536
Energy: 0.0160756031869391
Energy: 0.015509758699099187
Energy: 0.09506574479700866
Energy: 0.015180489065027744
Energy: 0.016814716930623853
Energy: 0.09676555469875878
Energy: 0.09509541323608613
Energy: 0.015808029400741202
Energy: 0.015161525383788337
Energy: 0.09476280395524705
Energy: 0.0952843848883971
Energy: 0.09632814945391249
Energy: 0.09475601278123448
Energy: 0.015108706065541506
Energy: 0.0949880176726796
Energy: 0.09842183929648997
Energy: 0.11016397898686991
Energy: 0.015361638677854821
Energy: 0.015146492603064056
Energy: 0.09556946141251971
Energy: 0.015505226609377741
Energy: 0.016919927749667454
Energy: 0.10963892804931512
Energy: 0.09513590932655833
Energy: 0.015138078040912011
Energy: 0.10894338470181411
Energy: 0.09458115483758975
Energy: 0.1087755460580404
Energy: 0.09550710361818474
Energy: 0.10869587011754396
Energy: 0.015196519679262449
Energy: 0.01666801277728253
Energy: 0.10870378849604795
Energy: 0.09512615137177907

minimum gb energy = 0.014918055671670923 eV
minimum distance =  2.47873089286834 Angstroms
sigma value = 3


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

Energy: 1.365130544805322
Energy: 1.3014126766696847
Energy: 1.248565132608509
Energy: 1.2389391407911299
Energy: 1.295289699819498
Energy: 1.2601725107718658
Energy: 1.2681991936585062
Energy: 1.276971584026825
Energy: 1.215459289359034
Energy: 1.296885413281819
Energy: 1.2638857776908827
Energy: 1.2470909532744947
Energy: 1.275662322332642
Energy: 1.315031620110919
Energy: 1.2885503404377168
Energy: 1.2077291197380224
Energy: 1.2734903597145433
Energy: 1.2671733959446743
Energy: 1.2547509560954528
Energy: 1.2945559561423734
Energy: 1.279232921620331
Energy: 1.2171554841001877
Energy: 1.296011259490309
Energy: 1.267177770992485
Energy: 1.2476902048201841
Energy: 1.2133986961492094
Energy: 1.3450405435850392
Energy: 1.286708448206487
Energy: 1.2958448377531209
Energy: 1.263311849727129
Energy: 1.3170196117601616
Energy: 1.288692367170195
Energy: 1.2747061770253332
Energy: 1.254824063850231
Energy: 1.2081317984925874
Energy: 1.246745958938107
Energy: 1.2910110747559462
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Energy: 1.2423718144858384
Energy: 1.3475858090465298
Energy: 1.3697658362570597
Energy: 1.2519566554937025
Energy: 1.3483692215493217
Energy: 1.2723666299997838
Energy: 1.2086300273576733
Energy: 1.279849711692552
Energy: 1.2691327441062703
Energy: 1.2688358973304974
Energy: 1.2367225667136297
Energy: 1.23500349191199
Energy: 1.2557836612103441
Energy: 1.242222682535384
Energy: 1.2093017284262175
Energy: 1.2099667147020894
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Energy: 1.372114145441989
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Energy: 1.2521319028243123
Energy: 1.2078215194621875
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Energy: 1.235145380359108
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Energy: 1.2511760241503844
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Energy: 1.199379006757807
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Energy: 1.310548024642536
Energy: 1.310584223445107
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Energy: 1.2546573929626732
Energy: 1.2938423803366121
Energy: 1.214345172306233
Energy: 1.2396418031716692
Energy: 1.302729524526169
Energy: 1.2890143560263005
Energy: 1.2906679243743056
Energy: 1.2673114052064232
Energy: 1.2478514669123566
Energy: 1.310038023034406
Energy: 1.312792161845515
Energy: 1.2607662532219528
Energy: 1.2407955965434658
Energy: 1.2386732041558914
Energy: 1.2956046889274406
Energy: 1.2100910573183006
Energy: 1.268682274977554
Energy: 1.2668452248374382
Energy: 1.258390682026973
Energy: 1.292913540903156
Energy: 1.2688116141055037
Energy: 1.2474946747870579
Energy: 1.3549718566144646
Energy: 1.3619857953017402
Energy: 1.2881812340138685
Energy: 1.2135327999228203
Energy: 1.3466340533772647
Energy: 1.241950440498136
Energy: 1.2898878530388933
Energy: 1.263706648252374
Energy: 1.2416483837221062
Energy: 1.2163359114347083
Energy: 1.2912303797296663
Energy: 1.267079553200663
Energy: 1.2485140222295432
Energy: 1.248794251990623
Energy: 1.2368043830500899
Energy: 1.2942778485326352
Energy: 1.238202722600302
Energy: 1.3455778136427474
Energy: 1.2902079158324162
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Energy: 1.276660696693474
Energy: 1.255108967554824
Energy: 1.2070691045921884
Energy: 1.2587492038545347
Energy: 1.2676066456867778
Energy: 1.2683392906155568
Energy: 1.2779700442859994
Energy: 1.2149594847923513
Energy: 1.2713523491528684
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Energy: 1.44087448776207
Energy: 1.3677111044225445
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Energy: 1.2469986473802417
Energy: 1.2924636316469753
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Energy: 1.254815914402732
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Energy: 1.258358725431394
Energy: 1.2392284351551184
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Energy: 1.2148884496412249
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Energy: 1.2130414105650902
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Energy: 1.2123571184644624
Energy: 1.212074359818349
Energy: 1.2081687189753327
Energy: 1.2094393500103249
Energy: 1.2542118865942045
Energy: 1.2245201371035788
Energy: 1.1971023243635492
Energy: 1.2702513584046835
Energy: 1.27490004653009
Energy: 1.2075983154716599
Energy: 1.257211802602996
Energy: 1.2108108290624138
Energy: 1.243778299887966
Energy: 1.2263119578796817
Energy: 1.2440752975816272
Energy: 1.2443873690247524
Energy: 1.2395296926673813
Energy: 1.2967510346377396
Energy: 1.252444162956052
Energy: 1.2109476114905855
Energy: 1.2548352061104073
Energy: 1.2719508680148077
Energy: 1.2020002727802561
Energy: 1.2260875786973688
Energy: 1.198715155668803
Energy: 1.2430621197080913
Energy: 1.2126443680139685
Energy: 1.2064002981641126
Energy: 1.2087889059164845
Energy: 1.2715586975439457
Energy: 1.2076694430680692
Energy: 1.2667478289661969
Energy: 1.2053931328103482
Energy: 1.2083837285125598
Energy: 1.254995608353897
Energy: 1.2461953583354966
Energy: 1.2083524055042218
Energy: 1.2432137931581015
Energy: 1.2543428065744189
Energy: 1.2451917160775996
Energy: 1.2413253918662894
Energy: 1.2152247469872541
Energy: 1.3292956877972584
Energy: 1.2123124863410908
Energy: 1.2937408683070628
Energy: 1.2171843326029443
Energy: 1.2586642377080783
Energy: 1.2472611782256364
Energy: 1.254858203463426
Energy: 1.241728188836661
Energy: 1.2133970163031813
Energy: 1.2084818096654129
Energy: 1.273153565718014
Energy: 1.248230192939928
Energy: 1.2587172783739426
Energy: 1.2604247222720344
Energy: 1.2420516594206172
Energy: 1.2130502848929579
Energy: 1.194364074494675
Energy: 1.312737203898405
Energy: 1.2719811768460167
Energy: 1.2676993218783543
Energy: 1.2677098116616432
Energy: 1.2464140482703512
Energy: 1.209049985811232
Energy: 1.2395877345546107
Energy: 1.2944029806054103
Energy: 1.2372053444682831
Energy: 1.2408564941052436
Energy: 1.3998981400889998
Energy: 1.2131775739415214
Energy: 1.3141815903991727
Energy: 1.3128227325111208
Energy: 1.297338789123124
Energy: 1.2437703919903302
Energy: 1.412792004474092
Energy: 1.2644607855366237
Energy: 1.2141762304977162
Energy: 1.2441239390060428
Energy: 1.2776781664813242
Energy: 1.2907058414845867
Energy: 1.2707088712609846
Energy: 1.2952224792853937
Energy: 1.2089352739705197
Energy: 1.2155446798719778

minimum gb energy = 1.194364074494675 eV
minimum distance =  2.2644661665452 Angstroms
sigma value = 75


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

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Energy: 1.309437897178247
Energy: 1.2795269437487824
Energy: 1.191496252276649
Energy: 1.2933407408081634
Energy: 1.2625954880865615
Energy: 1.2300716498640922
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Energy: 1.292158767419891
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Energy: 1.272197284344729
Energy: 1.280354511373283
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Energy: 1.2220377189445775
Energy: 1.2402358872901516
Energy: 1.4062471764968019
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Energy: 1.3155571494250615
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Energy: 1.299321981911804
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Energy: 1.4525458346554843
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Energy: 1.2539066317945295
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Energy: 1.2893911129773266
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Energy: 1.2529064563496821
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Energy: 1.2760755727865318
Energy: 1.275648294536512
Energy: 1.2665800260552873
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Energy: 1.3020595763198899
Energy: 1.212337898468941
Energy: 1.2271052183433233
Energy: 1.3137467396796962
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minimum gb energy = 1.185954005362584 eV
minimum distance =  2.24281290703003 Angstroms
sigma value = 105


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

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Energy: 1.305033816776241
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Energy: 1.4177289532871613
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Energy: 1.2760673085072738
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Energy: 1.2313534191851674
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Energy: 1.2904855038750178
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Energy: 1.2471552858199622
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Energy: 1.1398081606825574
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Energy: 1.289891747276068
Energy: 1.317594941286324
Energy: 1.1653308539192897
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Energy: 1.173748563516967
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Energy: 1.2075218930455855
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Energy: 1.1731180827007703
Energy: 1.223126340627591
Energy: 1.3392496782502845
Energy: 1.2640442339054125
Energy: 1.2692371062279746
Energy: 1.251076507637916
Energy: 1.410506906583015
Energy: 1.2456016073456373
Energy: 1.1099714774320244
Energy: 1.3152522022920508
Energy: 1.4277122255624652
Energy: 1.341035655277745
Energy: 1.193670039197666
Energy: 1.4089280936883115
Energy: 1.4101623395023886
Energy: 1.4029714753351619
Energy: 1.184330906078269
Energy: 1.2700895625482698
Energy: 1.2843915189270452
Energy: 1.2229586258262324
Energy: 1.157828401979217
Energy: 1.1724528091081186
Energy: 1.227569122734792
Energy: 1.2738173733028058
Energy: 1.1796727217959257
Energy: 1.2079755755499049
Energy: 1.2411855632292688
Energy: 1.1589197448879724
Energy: 1.2421891385641517
Energy: 1.2418708076705804
Energy: 1.1602468710655736
Energy: 1.2206999306590252
Energy: 1.1362834663705015
Energy: 1.2405456188737987
Energy: 1.1743297179048868
Energy: 1.1547840284740774
Energy: 1.2295874988732243
Energy: 1.2445089643230451
Energy: 1.1731754406000905
Energy: 1.2269267682967369
Energy: 1.2293468096043156
Energy: 1.2394590651778592
Energy: 1.2837340010940785
Energy: 1.2208157013328576
Energy: 1.3874057046729134
Energy: 1.129768224252982
Energy: 1.2693296753711962
Energy: 1.2327697392645953
Energy: 1.175966372663489
Energy: 1.2019376918180633
Energy: 1.1777464615302313
Energy: 1.2309670449839762
Energy: 1.2715186332003994
Energy: 1.3872529639046842
Energy: 1.2950431856105882
Energy: 1.259078910554245
Energy: 1.19503722479407
Energy: 1.4049448001359994
Energy: 1.3793281780140878
Energy: 1.0812159452804617
Energy: 1.176439644503018
Energy: 1.1109566167093905
Energy: 1.2334558785722187
Energy: 1.1458462334684774
Energy: 1.1158928097915792
Energy: 1.2160806222959684
Energy: 1.1900973871256821
Energy: 1.1780578431281887
Energy: 1.2032157914149495
Energy: 1.237884239710081
Energy: 1.233097292684471
Energy: 1.1243787559514151

minimum gb energy = 1.0700402246365388 eV
minimum distance =  2.29067929296615 Angstroms
sigma value = 165


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

Energy: 1.3605797280770588
Energy: 1.1904701004466127
Energy: 1.205939776988625
Energy: 1.2294941983757166
Energy: 1.2179059078064114
Energy: 1.2044682388687415
Energy: 1.2060457295610199
Energy: 1.2046437883550436
Energy: 1.2057218439389257
Energy: 1.1909932757444848
Energy: 1.1895693358842527
Energy: 1.2053206775967262
Energy: 1.2766973655521143
Energy: 1.1918390998598638
Energy: 1.275579696843763
Energy: 1.2067021707889327
Energy: 1.2040940742481012
Energy: 1.206203294787558
Energy: 1.2042363466465966
Energy: 1.2168622330263645
Energy: 1.2201613843129857
Energy: 1.2328501168306558
Energy: 1.2108821134317105
Energy: 1.2683652173820747
Energy: 1.2138768531557969
Energy: 1.19699177876948
Energy: 1.1976773213834342
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Energy: 1.2117156105636688
Energy: 1.262454081356639
Energy: 1.210755317014505
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Energy: 1.2076761366516047
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Energy: 1.2150184654528489
Energy: 1.2037848030157658
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Energy: 1.2065103803527197
Energy: 1.2048652476641082
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Energy: 1.2098872472130255
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Energy: 1.2203983042026199
Energy: 1.2162082048544594
Energy: 1.2044606883204076
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Energy: 1.2051099681108042
Energy: 1.229685420928537
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Energy: 1.19781266662835
Energy: 1.198192970028646
Energy: 1.2080703049396297
Energy: 1.2050629851666323
Energy: 1.1997998126187157
Energy: 1.2043411519547782
Energy: 1.205942793865834
Energy: 1.2080024241838794
Energy: 1.2200945384692392
Energy: 1.2206148255485911
Energy: 1.2174846918683768
Energy: 1.2290775726626137
Energy: 1.1994116022396986
Energy: 1.1981137535509738
Energy: 1.218627310372757
Energy: 1.207030965660671
Energy: 1.1982428980297126
Energy: 1.217413341106312
Energy: 1.2191335821553975
Energy: 1.2308745573136946
Energy: 1.2340241565478516
Energy: 1.215692814392106
Energy: 1.2669280275933392
Energy: 1.2161341561685017
Energy: 1.205192217462199
Energy: 1.2062770774959501
Energy: 1.1974873592195026
Energy: 1.2215298804568782
Energy: 1.2338814886369573
Energy: 1.21956652665434
Energy: 1.2199484005362784
Energy: 1.210748379682996
Energy: 1.2160086313893996
Energy: 1.2061005908119058
Energy: 1.20463477515672
Energy: 1.2046728293213083
Energy: 1.213312612528078
Energy: 1.2132732627156622
Energy: 1.233603277098715
Energy: 1.220045236411384
Energy: 1.2114316192629069
Energy: 1.2046545298558822
Energy: 1.2034587566615143
Energy: 1.2034611087190132
Energy: 1.2194415323061327
Energy: 1.211261504410299
Energy: 1.2112327653604755
Energy: 1.1976692927445138
Energy: 1.2155731353058095
Energy: 1.2762907635774956
Energy: 1.2154488904444607
Energy: 1.2062772488564888
Energy: 1.204513511706918
Energy: 1.2073181715857295
Energy: 1.1898450153208584
Energy: 1.2159583566585426
Energy: 1.2381875176194597
Energy: 1.229845983583396
Energy: 1.2124499264864452
Energy: 1.273922505461268
Energy: 1.1888024469567173
Energy: 1.1890190698126866
Energy: 1.2745037243278867
Energy: 1.2047276032840772

minimum gb energy = 1.1886848784887407 eV
minimum distance =  2.27666596090071 Angstroms
sigma value = 41


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

Energy: 2.795500549059103
Energy: 1.1532511470846316
Energy: 1.3057210751513604
Energy: 1.2573887727978694
Energy: 1.1397392655338623
Energy: 1.3133872603544035
Energy: 1.3112244377787154
Energy: 1.1455061545298804
Energy: 1.2846551579498386
Energy: 1.1559638172312452
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Energy: 1.2168736899444936
Energy: 1.261116634149316
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Energy: 1.417496288792963
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Energy: 1.153316742401411
Energy: 1.3141927591506677
Energy: 1.1430841667338232
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Energy: 1.2840208847752388
Energy: 1.2059594641763018
Energy: 1.3810384449690103
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Energy: 1.2007416749023165
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Energy: 1.169187616124846
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Energy: 1.1232735585790181
Energy: 1.1753384488790015
Energy: 1.1540607924969042
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Energy: 1.1618888755795405
Energy: 1.1529687247084448
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Energy: 1.1257928545751728
Energy: 1.108474435638161
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Energy: 1.2691875157053814
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Energy: 1.1100223121976045
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Energy: 1.0779531102845634
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Energy: 1.3172341270928405
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Energy: 1.151854181301439
Energy: 1.1649442720907748
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Energy: 1.199669786456337
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Energy: 1.3188026656327363
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Energy: 1.1871605565185845
Energy: 1.2184889229333544
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Energy: 1.177322584240286
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Energy: 1.2369606666454998
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Energy: 1.1702231480160787
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Energy: 1.146670040589018
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Energy: 1.33040748585099
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Energy: 1.1614794502072694
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Energy: 1.1223528099149522
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Energy: 1.1854155907335042
Energy: 1.1502004867508382
Energy: 1.3208700918777985
Energy: 1.1461190290616046
Energy: 1.1541755109112442
Energy: 1.1213846270579892
Energy: 1.0763136504659758
Energy: 1.192088228919654
Energy: 1.1926207450154376
Energy: 1.2191644358930644
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Energy: 1.1834745833271774
Energy: 1.3327454675511259
Energy: 1.2253572967820274
Energy: 1.1507763204127932
Energy: 1.1210136945435671
Energy: 1.1259144376960433
Energy: 1.371451042859348
Energy: 1.1567329773245199
Energy: 1.3700076220183763
Energy: 1.3276256873603591
Energy: 1.42052866667844
Energy: 1.383709484322045
Energy: 1.1921484841610526
Energy: 1.124554935101301
Energy: 1.1204603955539576
Energy: 1.152244198765181
Energy: 1.3278071734465637
Energy: 1.3262842601183567
Energy: 1.1488126958419123
Energy: 1.1868076346713916
Energy: 1.2587601597515248
Energy: 1.1923702281034712
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Energy: 1.154984274198855
Energy: 1.1698411916424554
Energy: 1.2227043722991728
Energy: 1.2767279576489987
Energy: 1.2472973004804928
Energy: 1.289853399723943
Energy: 1.2854597632109552
Energy: 1.350934595992611
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Energy: 1.1565107884002295
Energy: 1.178293342174785
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Energy: 1.170601433596833
Energy: 1.2229841531767478
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Energy: 1.1461095769947183
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Energy: 1.1634439824208611
Energy: 1.1697601073764072
Energy: 1.1674787248057208
Energy: 1.1282944861501412
Energy: 1.1927431567684728
Energy: 1.1562135273138257
Energy: 1.3195978884868829
Energy: 1.146344023874768
Energy: 1.407791518086127
Energy: 1.1740805632141635
Energy: 1.099056123203096
Energy: 1.2658205346147386
Energy: 1.25919141836302
Energy: 1.243583999827381
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Energy: 1.3203163959151056
Energy: 1.2836642701249306
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Energy: 1.1686824382903973
Energy: 1.1695019200731311
Energy: 1.1347071248690834
Energy: 1.1352211520466102
Energy: 1.1089300563694338
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Energy: 1.2241827161245153
Energy: 1.283864633413063
Energy: 1.3177452138656482
Energy: 1.1399449839396707
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Energy: 1.1197677986286045
Energy: 1.139773831103211
Energy: 1.2056796027689969
Energy: 1.1440028612981734
Energy: 1.1415220635449952
Energy: 1.1600327234950425
Energy: 1.1443453748151475
Energy: 1.1879924507072546
Energy: 1.140415849699533
Energy: 1.1092007240700206
Energy: 1.109365938396219
Energy: 1.2471915119070667
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Energy: 1.1532249400372336
Energy: 1.3172863786669902
Energy: 1.3103412378070476
Energy: 1.2149327116081
Energy: 1.3551179446620027
Energy: 1.1219872602766487
Energy: 1.1211336111052184
Energy: 1.357133499869278
Energy: 1.3706659614363632
Energy: 1.2226228591223476
Energy: 1.3128358201492567
Energy: 1.184652962562559
Energy: 1.2492605543685127
Energy: 1.2564587077395188
Energy: 1.1086792429189565
Energy: 1.1213851895759075
Energy: 1.187425281861284
Energy: 1.3828480397181335
Energy: 1.1523817027694578
Energy: 1.2047584835984704
Energy: 1.191754208844128
Energy: 1.3602825329023185
Energy: 1.184622583691778
Energy: 1.132443827188021
Energy: 1.1094006653290078
Energy: 1.1446777511630701
Energy: 1.3145994290235767
Energy: 1.1534496225813682
Energy: 1.157845243563794
Energy: 1.1863004612558836
Energy: 1.2486228625902585
Energy: 1.2224595431121945
Energy: 1.2894880752169338
Energy: 1.3922986579663628
Energy: 1.1503177366900013
Energy: 1.1543338171406452
Energy: 1.1591510362805466
Energy: 1.1537305627390257
Energy: 1.141127877857898
Energy: 1.183484642858857
Energy: 1.1887684046765474
Energy: 1.29880094007835
Energy: 1.2900517409573973
Energy: 1.285517361827722
Energy: 1.3376664458556249
Energy: 1.3139065472242677
Energy: 1.1523968136192044
Energy: 1.1433488494319122
Energy: 1.1854460313605772
Energy: 1.1813332674761985
Energy: 1.309265293762881
Energy: 1.1867316200262095
Energy: 1.1958803262970314
Energy: 1.1463373595829558
Energy: 1.4254152336927828
Energy: 1.3142152617544676
Energy: 1.154115062607172
Energy: 1.1443948024380775
Energy: 1.2952697249238572
Energy: 1.2533365881740401
Energy: 1.2600561457540065
Energy: 1.1396425871383602
Energy: 1.139424592861471
Energy: 1.3916170479119478
Energy: 1.146275312319875
Energy: 1.247436243843361
Energy: 1.1928094594356344

minimum gb energy = 1.0763136504659758 eV
minimum distance =  2.29426714463151 Angstroms
sigma value = 185


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

Energy: 2.7695363257030445
Energy: 1.155555887729193
Energy: 1.3994447116118585
Energy: 1.2407380172547093
Energy: 1.290143323970433
Energy: 1.4182116298621175
Energy: 1.4271395009469683
Energy: 1.3618756516788215
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Energy: 1.3382555004723962
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Energy: 1.1907429663211337
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Energy: 1.199937939345659
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Energy: 1.3909806452179907
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Energy: 1.444372020471597
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Energy: 1.1836079828852422
Energy: 1.2203611768183296
Energy: 1.2188432501871742
Energy: 1.1990116038852294
Energy: 1.1537852890653637
Energy: 1.170621773052843
Energy: 1.401115119449068
Energy: 1.4579946573059621
Energy: 1.358944429828155
Energy: 1.3175595192740897
Energy: 1.351637936358754
Energy: 1.3350215256698472
Energy: 1.2216475403936955
Energy: 1.3089555835159952
Energy: 1.1718394451441907
Energy: 1.1417708315493569
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Energy: 1.1562344274652416
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Energy: 1.3538875902081502
Energy: 1.336337572836757
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Energy: 1.3002714424556059
Energy: 1.3403649371281499
Energy: 1.4187871190501842
Energy: 1.4534701214167698
Energy: 1.4393591767455962
Energy: 1.3955580810039137
Energy: 1.4108600211265137
Energy: 1.1464383669558802
Energy: 1.2097665567205715
Energy: 1.319771597371897
Energy: 1.4277550328970858
Energy: 1.1709147486191962
Energy: 1.1774477862766317
Energy: 1.3527875039841257
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Energy: 1.3289592525886482
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Energy: 1.2998892094487011
Energy: 1.4217987728026602
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Energy: 1.363158730093394
Energy: 1.1897889824816104
Energy: 1.1778131414307436
Energy: 1.2019263040346886
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Energy: 1.210154546832482
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Energy: 1.1815033253372862
Energy: 1.3668876228421007
Energy: 1.3592931112618836
Energy: 1.4749448508007965
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Energy: 1.213820625176728
Energy: 1.2092379880522888
Energy: 1.2034711188360088
Energy: 1.2582999261554797
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Energy: 1.1954081887587613
Energy: 1.3226685022662368
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Energy: 1.448737041746302
Energy: 1.3243948594761743
Energy: 1.3215627594774546
Energy: 1.2142043332475487
Energy: 1.1787245106843125
Energy: 1.1890169588954498
Energy: 1.1845864188440296
Energy: 1.4602243719589565
Energy: 1.3282861557668566
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Energy: 1.3949741265527618
Energy: 1.3689248443917195
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Energy: 1.3372765093212837
Energy: 1.3897658159119415
Energy: 1.2832953299216623
Energy: 1.2150358625897215
Energy: 1.2062665918218052
Energy: 1.3611379572045748
Energy: 1.1544234371051925
Energy: 1.1806070445547336
Energy: 1.4142726602302886
Energy: 1.3383118953012392
Energy: 1.333855002067018
Energy: 1.3242205346351121
Energy: 1.3600666419359568
Energy: 1.234790070720072
Energy: 1.4264418297376495
Energy: 1.1568613504017442
Energy: 1.4085848580899483
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Energy: 1.3692084064999026
Energy: 1.1792428024251553
Energy: 1.183116027373367
Energy: 1.2125538553317086
Energy: 1.2066437565316737
Energy: 1.2059916600816523
Energy: 1.1828344544015659
Energy: 1.3317354425241845
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Energy: 1.4632246552332533
Energy: 1.4398338127167074
Energy: 1.3355863294108994
Energy: 1.3289654255423973
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Energy: 1.216711430740955
Energy: 1.2100547526696566
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Energy: 1.3581509418673494
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Energy: 1.382494146242755
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Energy: 1.3832242015674532
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Energy: 1.4373707579352772
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Energy: 1.1924468986077437
Energy: 1.3371605939952709
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Energy: 1.4377835009484972
Energy: 1.3986604260634012
Energy: 1.412773656089244
Energy: 1.3451318275128128
Energy: 1.2312857754471815
Energy: 1.2020799259820365
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Energy: 1.2025132242301848
Energy: 1.1718012951123908
Energy: 1.1855700763191488
Energy: 1.4101022103363288
Energy: 1.4499137800438475
Energy: 1.2282668442233644
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Energy: 1.343809184429175
Energy: 1.3992675165824977
Energy: 1.2342936774730107
Energy: 1.1921607031407702
Energy: 1.171234862985393
Energy: 1.1781526850131148
Energy: 1.20562860452863
Energy: 1.148997908551863
Energy: 1.204702438266099
Energy: 1.165133167041546
Energy: 1.3414866196023356
Energy: 1.3645210310590974
Energy: 1.4414811424713079
Energy: 1.2195283171278315
Energy: 1.1898345950941909
Energy: 1.4100006317714202
Energy: 1.435450458282175
Energy: 1.2141698867927286
Energy: 1.4181792609119555
Energy: 1.3212210786240197
Energy: 1.382693238317717
Energy: 1.2086760793244657
Energy: 1.1754496657977078
Energy: 1.2348501945469117
Energy: 1.1952163240914875
Energy: 1.3888661956272397
Energy: 1.4103268723044686
Energy: 1.4289173395561647
Energy: 1.1673809421056534
Energy: 1.182099789472311
Energy: 1.3543778607757615
Energy: 1.4202941554460022
Energy: 1.2413041262457356
Energy: 1.2583308777139495
Energy: 1.3581859307255852
Energy: 1.178609464125866
Energy: 1.1776287776620005
Energy: 1.1677806398985635
Energy: 1.1851055720949741
Energy: 1.2333439762155685
Energy: 1.2212176020024494
Energy: 1.25788840226811
Energy: 1.2300419464132262
Energy: 1.288296123011528
Energy: 1.4284055627350893
Energy: 1.4196188350619086
Energy: 1.412429447970366
Energy: 1.3273390678752288
Energy: 1.3127088158406897
Energy: 1.34398314781098
Energy: 1.2207050180426766
Energy: 1.1851024950262252
Energy: 1.231897418292355
Energy: 1.224671062646288
Energy: 1.1944230149378416
Energy: 1.3448683831534785
Energy: 1.4107211861920421
Energy: 1.3780816190958352
Energy: 1.3479187694960224
Energy: 1.3932132466824145
Energy: 1.407490384202253
Energy: 1.2405641905823397
Energy: 1.2151727150263751
Energy: 1.2170454068951804
Energy: 1.3442988757873342
Energy: 1.194278275985947
Energy: 1.2033546226090357
Energy: 1.156738393773029

minimum gb energy = 1.1417708315493569 eV
minimum distance =  2.25981534514542 Angstroms
sigma value = 33


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

Energy: 1.3669763513119113
Energy: 1.1772017469556941
Energy: 1.251785956616235
Energy: 1.219971492921795
Energy: 1.264734220080384
Energy: 1.3592317302443397
Energy: 1.3569847275864901
Energy: 1.31872491836127
Energy: 1.2684011795376846
Energy: 1.178588516370607
Energy: 1.2033780409642783
Energy: 1.3514912293888226
Energy: 1.3084763834663482
Energy: 1.2321047930194153
Energy: 1.2316476884833565
Energy: 1.3087485699903314
Energy: 1.3336653221530381
Energy: 1.222274026498078
Energy: 1.2552405818260037
Energy: 1.2059401558184497
Energy: 1.1896492625125583
Energy: 1.3181258697457021
Energy: 1.2379312926479098
Energy: 1.2294104446491736
Energy: 1.138015429206895
Energy: 1.3042449931204598
Energy: 1.183912944008432
Energy: 1.184243305681221
Energy: 1.2094431676021322
Energy: 1.1805311080398888
Energy: 1.1855848321941271
Energy: 1.1821967167705678
Energy: 1.1852565070966583
Energy: 1.2309288648322012
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Energy: 1.1420613983041747
Energy: 1.2223910274184535
Energy: 1.3378756633042743
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Energy: 1.2211534667751582
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Energy: 1.1823729194567645
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Energy: 1.1975006544888145
Energy: 1.3100089580472716
Energy: 1.3617700012893992
Energy: 1.2078404125738644
Energy: 1.1811037222978855
Energy: 1.2380148929631734
Energy: 1.2380551128982529
Energy: 1.389666628560986
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Energy: 1.227200529654024
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Energy: 1.374042055856652
Energy: 1.1737533817652355
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Energy: 1.199123245788865
Energy: 1.1574560465928616
Energy: 1.20100535063761
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Energy: 1.1377854245754775
Energy: 1.2163344084369048
Energy: 1.1893377338861
Energy: 1.3178029890839429
Energy: 1.2033614221108282
Energy: 1.1472155016024108
Energy: 1.1851031961277434
Energy: 1.1777700229327182
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Energy: 1.2225402014952065
Energy: 1.1843574457423973
Energy: 1.2851126599835603
Energy: 1.225911792471359
Energy: 1.3061730913893512
Energy: 1.2254695038343297
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Energy: 1.330100754978491
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Energy: 1.2277065826674798
Energy: 1.3768594029587098
Energy: 1.3738193021298937
Energy: 1.3289561390284688
Energy: 1.2479539699828197
Energy: 1.1734569516464193
Energy: 1.1970927781442675
Energy: 1.2915258115467994
Energy: 1.3328859830125113
Energy: 1.231589411184858
Energy: 1.2318528334031416
Energy: 1.2894925217166175
Energy: 1.1539480991200455
Energy: 1.194548776021601
Energy: 1.1818348810556476
Energy: 1.1737839154955596
Energy: 1.2032246563970037
Energy: 1.1907152477767717
Energy: 1.2936060218922283
Energy: 1.2458360548276586
Energy: 1.308730453988566
Energy: 1.2791735050300663
Energy: 1.1903548872422487
Energy: 1.2936854565675724
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Energy: 1.302201577359529
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Energy: 1.1827290241269701
Energy: 1.1976318525077603
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Energy: 1.175667419287486
Energy: 1.2211729129830555
Energy: 1.3572602040127895
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Energy: 1.1806216061009402
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Energy: 1.183069174132638
Energy: 1.2226180976259395
Energy: 1.2019909974294118
Energy: 1.2221855555968866
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Energy: 1.3363125546887833
Energy: 1.2878338899978035
Energy: 1.3069624760352465
Energy: 1.1790149919784751

minimum gb energy = 1.1349680471859134 eV
minimum distance =  2.27089754284514 Angstroms
sigma value = 219


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

Energy: 2.151021937503401
Energy: 1.1140470746329767
Energy: 1.1375429771330354
Energy: 1.133168285120791
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Energy: 1.132234371121331
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Energy: 1.129877061310018
Energy: 1.1462256933481425
Energy: 1.1796646741635686
Energy: 1.1340609410460847
Energy: 1.118174885871309
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Energy: 1.095847657897334
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Energy: 1.130867533791323
Energy: 1.0958844592535621
Energy: 1.0959879229705003
Energy: 1.1338715148883989
Energy: 1.1455136540964237

minimum gb energy = 1.0958044964844456 eV
minimum distance =  2.31386453774004 Angstroms
sigma value = 15


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

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Energy: 1.3207966101083113
Energy: 1.3492850637993425
Energy: 1.3018182648697112
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Energy: 1.3167468227829717
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minimum gb energy = 1.2937085941632815 eV
minimum distance =  2.26969583278095 Angstroms
sigma value = 293


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

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Energy: 1.3634402889765738
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Energy: 1.3497237359585772
Energy: 1.3473124971178945
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Energy: 1.4500697231772908
Energy: 1.4995000570172612
Energy: 1.330049404926865
Energy: 1.3500202180289849
Energy: 1.3669654055713936
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Energy: 1.3708543979268313
Energy: 1.3659974006538294
Energy: 1.3588839601325897
Energy: 1.4506985331132365
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Energy: 1.3077709068898236
Energy: 1.3544026244511007
Energy: 1.3582252731694402
Energy: 1.451053610991251
Energy: 1.3351153833140623
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Energy: 1.3291544011305454
Energy: 1.3644540835004493
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Energy: 1.3629991366128913
Energy: 1.3321317356935625
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Energy: 1.343964903024784
Energy: 1.4001848787604125
Energy: 1.425187012250011
Energy: 1.2905775045691918
Energy: 1.3064105957475673
Energy: 1.36048467577139
Energy: 1.3625926766704965
Energy: 1.356674499786052
Energy: 1.3381686512833613
Energy: 1.3421168372917665
Energy: 1.3319234442557726
Energy: 1.3325684022702327
Energy: 1.311000881681586
Energy: 1.291087666527601
Energy: 1.330947379347914
Energy: 1.3135850896165369
Energy: 1.3277693869909308
Energy: 1.4362417477199165
Energy: 1.4251948890720112
Energy: 1.499538543929673
Energy: 1.39834000748004
Energy: 1.346658834979208
Energy: 1.309475965025024
Energy: 1.3113061200743674
Energy: 1.3306701781674288
Energy: 1.3543099766908664
Energy: 1.3447440417154726
Energy: 1.4498237396596272
Energy: 1.378275325072718
Energy: 1.2934629442527483
Energy: 1.3342301895530042
Energy: 1.420587454395369
Energy: 1.3101066395521042
Energy: 1.2960707704078045
Energy: 1.3069398925826199
Energy: 1.356381902060797
Energy: 1.332519529946065
Energy: 1.3656519977332302
Energy: 1.3321091652780155

minimum gb energy = 1.2874256012011978 eV
minimum distance =  2.26487557941573 Angstroms
sigma value = 293


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

Energy: 1.7101065845971188
Energy: 1.1187029628940413
Energy: 1.2084664939064045
Energy: 1.2090791029353738
Energy: 1.2080494306121121
Energy: 1.372043152557445
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Energy: 1.1193015344355053
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Energy: 1.3720262501145724
Energy: 1.2081664225013422
Energy: 1.3344105157439463
Energy: 1.4212990526452212
Energy: 1.2082273826444934
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Energy: 1.3968410734007966
Energy: 1.3251276372160397
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Energy: 1.2071544339079976
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Energy: 1.2080454394659212
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Energy: 1.3391865128396134
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Energy: 1.2079144547538547
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Energy: 1.2087102918203245
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Energy: 1.3260493344636624
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Energy: 1.3943092113339128
Energy: 1.2063478539946981
Energy: 1.2085919752553602
Energy: 1.1193145265541644
Energy: 1.208359917762963
Energy: 1.2069182761561186
Energy: 1.121117312579656
Energy: 1.1190024914281098
Energy: 1.3283244818851825
Energy: 1.4234233968478702
Energy: 1.1887132068641684
Energy: 1.3373137681551979
Energy: 1.20798371800603
Energy: 1.20671827504188
Energy: 1.210362897641961
Energy: 1.337873366820388
Energy: 1.5048040274348204
Energy: 1.1182081138753877
Energy: 1.2051879759804738
Energy: 1.2096141983661148
Energy: 1.394713619604878
Energy: 1.2093378925603164
Energy: 1.2080719744875101
Energy: 1.2078542268046044
Energy: 1.2095260317084233
Energy: 1.2089135588841382
Energy: 1.2070398014028565
Energy: 1.3957443001385568
Energy: 1.3696881145052684
Energy: 1.2099252700411198
Energy: 1.3935012820948844
Energy: 1.3974944638024842
Energy: 1.3281383368095154
Energy: 1.2079797057019643
Energy: 1.2045882215395696
Energy: 1.207795108530808
Energy: 1.3248156754566804
Energy: 1.3387988258108563
Energy: 1.2074404893198414
Energy: 1.2074602775366658
Energy: 1.2098031288217814
Energy: 1.329983401852647
Energy: 1.2097397408972934
Energy: 1.3399705077828437
Energy: 1.3678198845186684
Energy: 1.208910202962966
Energy: 1.2093396224300654
Energy: 1.2086965972553483
Energy: 1.1190516112363311
Energy: 1.5022736755562913
Energy: 1.207939232340313
Energy: 1.209552455406838
Energy: 1.3128269374735366
Energy: 1.2071241851023125
Energy: 1.202348273091043
Energy: 1.2078107668701978
Energy: 1.3719772010044724
Energy: 1.337761198609872
Energy: 1.1199795473131595
Energy: 1.208338292627292
Energy: 1.3717234462366157
Energy: 1.2084672617311434
Energy: 1.2082153525388257
Energy: 1.3930061529756639
Energy: 1.3286060521189222
Energy: 1.208591664076929
Energy: 1.2100396076014213
Energy: 1.2105563928606036
Energy: 1.20545537554446
Energy: 1.4199400643358187
Energy: 1.1199227758246901
Energy: 1.2090823567281566
Energy: 1.4240539467000146
Energy: 1.3953140337278227
Energy: 1.2071628097371194
Energy: 1.2041101465282484
Energy: 1.2079628419720645
Energy: 1.3314610642645195
Energy: 1.20878769526838
Energy: 1.208305508638073

minimum gb energy = 1.1146164260334344 eV
minimum distance =  2.35899788539059 Angstroms
sigma value = 15


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

Energy: 1.4646173701076661
Energy: 1.281903939250456
Energy: 1.2889678452128026
Energy: 1.3059710991260811
Energy: 1.273825018097668
Energy: 1.3269957925102283
Energy: 1.2696933251102942
Energy: 1.2684466394098588
Energy: 1.2876436762379813
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Energy: 1.3208776574101648
Energy: 1.3953385829838056
Energy: 1.2991884608700954
Energy: 1.2735567106446075
Energy: 1.2529294880600816
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Energy: 1.3898819652217371
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Energy: 1.3297841295942878
Energy: 1.3952013160030112
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Energy: 1.3019047326104543
Energy: 1.3086395276774696
Energy: 1.3546437652969912
Energy: 1.300907889368465
Energy: 1.2813269048741132
Energy: 1.286935390910225
Energy: 1.3105007623780973
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Energy: 1.3310945993459686
Energy: 1.3859664386155566
Energy: 1.324795895154166
Energy: 1.299669210664167
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Energy: 1.2827690314578373
Energy: 1.2863498504324673
Energy: 1.290019880482606
Energy: 1.2818953317713337
Energy: 1.270906372617885
Energy: 1.3249262179167747
Energy: 1.2745551572807843
Energy: 1.276408876905504
Energy: 1.3225100305741886
Energy: 1.323454308897983
Energy: 1.28777151014338
Energy: 1.2885242752330932
Energy: 1.2960902789166597
Energy: 1.3044851783346139
Energy: 1.3850707914790954
Energy: 1.2786229150190604
Energy: 1.3061584474007375
Energy: 1.3298768637159972
Energy: 1.248997860992881
Energy: 1.2519575538771848
Energy: 1.2849620771030066
Energy: 1.2998725998744367
Energy: 1.2861415671834704
Energy: 1.3234933455912963
Energy: 1.3715899792022561
Energy: 1.4671412641241557
Energy: 1.3952966897286627
Energy: 1.345989883915933
Energy: 1.303242069239644
Energy: 1.2898765522986888
Energy: 1.2850038954906724
Energy: 1.3344954561974895
Energy: 1.2794720746141255
Energy: 1.2755531538328821
Energy: 1.3870125413795673
Energy: 1.2640568547962276
Energy: 1.4159852618155135
Energy: 1.4003216972562318
Energy: 1.3200304980909923
Energy: 1.3148044746297325
Energy: 1.28709664887086
Energy: 1.3248424130538201
Energy: 1.3182897370815105
Energy: 1.3283600119313026
Energy: 1.2867903375828718
Energy: 1.2759621216093837
Energy: 1.2973240816645812
Energy: 1.2687520439496365
Energy: 1.2807909132078286
Energy: 1.2908715688343497
Energy: 1.2858098704285263
Energy: 1.2986363711486633
Energy: 1.3095676486075756
Energy: 1.324345117167913
Energy: 1.3252192519461723
Energy: 1.3527239563466638
Energy: 1.3799895668303055
Energy: 1.3879775767522249
Energy: 1.387635672448354
Energy: 1.3236620741502296
Energy: 1.2855601413319442
Energy: 1.3116219304453611
Energy: 1.3969743361309261
Energy: 1.2772290564847535
Energy: 1.327996183223465
Energy: 1.2980348669012958
Energy: 1.2932659945170057
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Energy: 1.322415698890731
Energy: 1.3988903921200146
Energy: 1.2784146092298265
Energy: 1.3076752898470871
Energy: 1.306983879704658
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Energy: 1.2956166819040735
Energy: 1.2832970347200214
Energy: 1.2735983051349495
Energy: 1.2783063206497254
Energy: 1.2477549161790817
Energy: 1.284351240817029
Energy: 1.29375093954909
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Energy: 1.3081290875578173
Energy: 1.3763582113922794
Energy: 1.3753203391244035
Energy: 1.3249033128946088
Energy: 1.351722818189359
Energy: 1.3665014320835855
Energy: 1.2952964603045087
Energy: 1.3491212767511656
Energy: 1.3077136079067997
Energy: 1.3091002135721748
Energy: 1.2878067272099663
Energy: 1.2889335886709967
Energy: 1.3458030448713865
Energy: 1.3259476081715373
Energy: 1.3581426778523098
Energy: 1.3222615614503819
Energy: 1.3539111425083639
Energy: 1.3566915514330062
Energy: 1.3483243201572366
Energy: 1.300932740240951
Energy: 1.2886053575648373
Energy: 1.2966086056156076
Energy: 1.280003350644757
Energy: 1.2736635803359917
Energy: 1.3282442445548157
Energy: 1.2670615254667055
Energy: 1.27577849192797
Energy: 1.2963362749703526
Energy: 1.2868925391525663
Energy: 1.3012885652730422
Energy: 1.287281539318862
Energy: 1.3190493984370248
Energy: 1.2959690014794083
Energy: 1.3772440483999333
Energy: 1.4023816307554982
Energy: 1.2810071633789657
Energy: 1.2796951744253808
Energy: 1.30272454820178
Energy: 1.2638426893455732
Energy: 1.2709283980831332
Energy: 1.31690224127465
Energy: 1.2890020065945393
Energy: 1.275018209312288
Energy: 1.399440767933863
Energy: 1.3255792715231765
Energy: 1.426780605718926
Energy: 1.3992964437894666
Energy: 1.3087451172599733
Energy: 1.2684845823837005
Energy: 1.264036002860885
Energy: 1.2911786384355808
Energy: 1.2870194874082566
Energy: 1.2761122314107292
Energy: 1.2871318012730903
Energy: 1.3635005389941237
Energy: 1.3533685832014493
Energy: 1.3902491785338589
Energy: 1.2878675312447447
Energy: 1.272553357710967
Energy: 1.2709801333624755
Energy: 1.3337097980697792
Energy: 1.2808930523410897
Energy: 1.2935831912392162
Energy: 1.2864338475984707
Energy: 1.2882165918798933
Energy: 1.266663843378034
Energy: 1.2635996614211806
Energy: 1.3133513655591027
Energy: 1.2710556271731983
Energy: 1.2812548092878464
Energy: 1.3032605302603628
Energy: 1.2771474072735964
Energy: 1.2744169402374212
Energy: 1.270724920155842
Energy: 1.3910793219579107
Energy: 1.3599910615462474
Energy: 1.3768012607043612
Energy: 1.3154468671426411
Energy: 1.327561368871498
Energy: 1.2629478164704113
Energy: 1.3049961850121803
Energy: 1.3612213898215295
Energy: 1.27860779725731
Energy: 1.2745387539867181
Energy: 1.3968768254781363
Energy: 1.3865083151404176
Energy: 1.3851988547845926
Energy: 1.336248724199682
Energy: 1.2974873983115647
Energy: 1.361862306888376
Energy: 1.3034412121247902
Energy: 1.3056553046149288
Energy: 1.2881872582202725
Energy: 1.252972419715829
Energy: 1.473995585129082
Energy: 1.287399417996305
Energy: 1.3892488692130385
Energy: 1.3212742286621137
Energy: 1.2748508923949144
Energy: 1.2737996211955667
Energy: 1.3085693526284954
Energy: 1.440893162294973
Energy: 1.3658457512477604
Energy: 1.3977550170752158
Energy: 1.2748285629041007
Energy: 1.282277975936997
Energy: 1.3248943462849365
Energy: 1.2940265509906135
Energy: 1.3932677634291113
Energy: 1.3913206254715016
Energy: 1.3033686018611428
Energy: 1.3002375901633854
Energy: 1.3037222656460843
Energy: 1.3933035206129942
Energy: 1.3915849601267087
Energy: 1.3228620746762352
Energy: 1.4032428462324986
Energy: 1.281526825679949
Energy: 1.2977314043385348
Energy: 1.3897302624402366
Energy: 1.3419638923978412
Energy: 1.3191746984399817
Energy: 1.3044199062376178
Energy: 1.2938364666138653
Energy: 1.2851909871357536
Energy: 1.3216698940293985
Energy: 1.3779583484758753
Energy: 1.2733137130922818
Energy: 1.264006035220643
Energy: 1.392141997273766
Energy: 1.2946984992356048
Energy: 1.3318446580665608
Energy: 1.3037943992263574
Energy: 1.2692353253267001
Energy: 1.2704225521135994
Energy: 1.4027525275957142
Energy: 1.2745282063094228
Energy: 1.3996674140271175
Energy: 1.3759556856900805
Energy: 1.2736372531293723
Energy: 1.2698851226226073
Energy: 1.359794266786964
Energy: 1.3605690205776921
Energy: 1.3641205275666608
Energy: 1.30430825117872
Energy: 1.3139688995184493
Energy: 1.3917472923554952
Energy: 1.3415869518115355
Energy: 1.3916962629047975
Energy: 1.291931406972093
Energy: 1.2727743458343252
Energy: 1.2745405818159232
Energy: 1.3033892843666697
Energy: 1.2693367913146372
Energy: 1.2667994238024467
Energy: 1.3055599073610673
Energy: 1.3534346963114154
Energy: 1.308283091507552
Energy: 1.29950424421666
Energy: 1.3148336137572412
Energy: 1.2915102704492611
Energy: 1.2728186477849361
Energy: 1.2948371074475578
Energy: 1.2617868266688168
Energy: 1.277560836507107
Energy: 1.2909608439781344
Energy: 1.272722824475226

minimum gb energy = 1.2477549161790817 eV
minimum distance =  2.27739567320696 Angstroms
sigma value = 437


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

Energy: 1.4611532877812297
Energy: 1.2022516867250177
Energy: 1.2382208214145773
Energy: 1.305352394978178
Energy: 1.326113065791216
Energy: 1.3313106626819426
Energy: 1.304028771266287
Energy: 1.283749335436283
Energy: 1.2371123760093845
Energy: 1.2029267715919367
Energy: 1.1994080151411521
Energy: 1.2284756734170486
Energy: 1.3294017576549717
Energy: 1.3307876062877149
Energy: 1.2822562335605074
Energy: 1.236658093651705
Energy: 1.2819075242085125
Energy: 1.3083529012889688
Energy: 1.2700875583112883
Energy: 1.2298497683732883
Energy: 1.4901248879084257
Energy: 1.2723126647115865
Energy: 1.2288012200147074
Energy: 1.4668180264648383
Energy: 1.2788112976989612
Energy: 1.2748686133386116
Energy: 1.2824588051810146
Energy: 1.2791971484807139
Energy: 1.240793369119636
Energy: 1.2755689053070873
Energy: 1.3001949378387019
Energy: 1.2734581263728388
Energy: 1.3128695624883486
Energy: 1.3053385808029971
Energy: 1.2999131084150506
Energy: 1.2766818124219228
Energy: 1.2857105619295333
Energy: 1.27627234612222
Energy: 1.2913235484416445
Energy: 1.2744067997196242
Energy: 1.3213362124271062
Energy: 1.2973855182552545
Energy: 1.2125103572599705
Energy: 1.309823070547991
Energy: 1.1510362706593495
Energy: 1.2374507062485143
Energy: 1.330516093677459
Energy: 1.27588298133427
Energy: 1.2342664629228304
Energy: 1.2390019249970372
Energy: 1.2331885931366526
Energy: 1.228817869938775
Energy: 1.1939032369947133
Energy: 1.47522555717061
Energy: 1.2904028143738286
Energy: 1.2793610478301054
Energy: 1.2776302244874052
Energy: 1.288832690626476
Energy: 1.2302901318731294
Energy: 1.2298212740639332
Energy: 1.2345538639618732
Energy: 1.149784307957652
Energy: 1.2119388786079617
Energy: 1.317984624314982
Energy: 1.2769735835804128
Energy: 1.1913339797765423
Energy: 1.2076043902965756
Energy: 1.2080396437911864
Energy: 1.1550680659423813
Energy: 1.1503544149670568
Energy: 1.2383280877644518
Energy: 1.149427850167991
Energy: 1.1531348812931048
Energy: 1.2616591581690246
Energy: 1.1800557385224248
Energy: 1.1495297340723565
Energy: 1.2857071316927564
Energy: 1.2770445531928238
Energy: 1.149788711582461
Energy: 1.1491525861017176
Energy: 1.3838283091050672
Energy: 1.2276212864589513
Energy: 1.2379115173847228
Energy: 1.4736226079156436
Energy: 1.2335331464648536
Energy: 1.2347631769618956
Energy: 1.2802205643851805
Energy: 1.3529935867860716
Energy: 1.1916569738492355
Energy: 1.2135519513495485
Energy: 1.280463141018833
Energy: 1.2365860040581942
Energy: 1.2288869825100275
Energy: 1.3108416207570683
Energy: 1.1939857089429957
Energy: 1.2859543633760049
Energy: 1.2802876894855841
Energy: 1.2780547418598431
Energy: 1.246426804744681
Energy: 1.200949447689543
Energy: 1.3131404763769399
Energy: 1.2124930275117467
Energy: 1.2973115022000987
Energy: 1.276563192498572
Energy: 1.2810274731032412
Energy: 1.2805260779199907
Energy: 1.2013422150288855
Energy: 1.366547496606386
Energy: 1.3137607711866253
Energy: 1.272432579469412
Energy: 1.336745598529704
Energy: 1.276934864956885
Energy: 1.2597573757145637
Energy: 1.3672325163456625
Energy: 1.2010380965428484
Energy: 1.2323154776142724
Energy: 1.2858900537678124
Energy: 1.282050849926576
Energy: 1.2292323106904102
Energy: 1.271677126632714
Energy: 1.3103865249795348
Energy: 1.2292454229450531
Energy: 1.2310791441078286
Energy: 1.4649951879932985
Energy: 1.3492033916090087
Energy: 1.2787229441194239
Energy: 1.2893168842413747
Energy: 1.3038787994263958
Energy: 1.2355667227737361
Energy: 1.2833789140549454
Energy: 1.4997860605227145
Energy: 1.235634539326057
Energy: 1.282536470217353
Energy: 1.30418634951521
Energy: 1.32695371867606
Energy: 1.2841770038041995
Energy: 1.3279018042218538
Energy: 1.2827374394705027
Energy: 1.2364566418127654
Energy: 1.2013155628224514

minimum gb energy = 1.1491525861017176 eV
minimum distance =  2.29727465151646 Angstroms
sigma value = 33