Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665000349283223
cohesive_energy=4.280336677243816
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7036585019975598e-19, 2.5228514149617598e-19, 3.1804808361534e-19, 3.7654996122921598e-19, 4.2778436563126797e-19, 4.69352838400398e-19, 5.02333644411288e-19, 5.28612545562156e-19, 5.499070752046499e-19, 5.679411753969539e-19, 5.841167506938179e-19, 5.9925411553185e-19, 6.135823811697119e-19, 6.26934921237468e-19, 6.3904417223724e-19, 6.497210773262161e-19, 6.588951407324999e-19, 6.665743733392619e-19, 6.728180556819599e-19, 6.777111031221959e-19, 6.813512484346439e-19, 6.838394287472459e-19, 6.852717746580419e-19, 6.85731599352e-19, 6.85244537655264e-19, 6.836808132604799e-19, 6.80864186737908e-19, 6.76571955535422e-19, 6.70501308269196e-19, 6.622517007807299e-19, 6.513056300172419e-19, 6.37007805735426e-19, 6.185202895557e-19, 5.94758407896846e-19, 5.64339482323722e-19, 5.25507527245464e-19, 4.7614286297529e-19, 4.1389349421448797e-19, 3.34971875400282e-19, 2.2537818710478e-19, 4.1348974570271994e-20, -3.2024306560391995e-19, -1.018072700719254e-18, -2.2188544204266e-18, -3.9292741078196395e-18, -5.4375631910672394e-18, -3.5420921024472e-18, 1.31032413835056e-17, 8.271653438949839e-17, 3.3613345345993197e-16, 1.2549400964664479e-15, 4.86433643495472e-15]
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: 0.016077085713152164
Energy: 30.051939561661
Energy: 27.161618279232478
Energy: 0.016838590284544114
Energy: 0.016679370367959547
Energy: 27.490302732237563
Energy: 0.01635827771742727
Energy: 0.16638495547303375
Energy: 0.19997299083701542
Energy: 0.16576518733874376
Energy: 0.1659164527759926
Energy: 0.20005000268685005
Energy: 0.20013572419864656
Energy: 0.16646725196449372
Energy: 0.16627483018786116
Energy: 0.20025274031891804
Energy: 0.19993736225968634
Energy: 0.16599507910078443
Energy: 0.16601968653678362
Energy: 0.20023037796032603
Energy: 0.16564364032384823
Energy: 0.16639237406170454
Energy: 0.1658665769865876
Energy: 0.20126505935303268
Energy: 0.1672094175294982
Energy: 0.16643228055919534
Energy: 0.2009932879007863
Energy: 0.4433990713857722
Energy: 0.16570305505426655
Energy: 0.2002169052299336
Energy: 0.19980151481662944
Energy: 0.16583522762409356
Energy: 0.16617568395329052
Energy: 0.19998059998238932
Energy: 0.1665910958702889
Energy: 0.016518521572159408
Energy: 0.20008092724406298
Energy: 0.16548007218057803
Energy: 0.01696980902736095
Energy: 0.017145195240651206
Energy: 0.19995868091939478
Energy: 0.16619840682784784

minimum gb energy = 0.016077085713152164 eV
minimum distance =  2.4525546103526 Angstroms
sigma value = 5


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

Energy: 2.5270401053343052
Energy: 1.2268660105277571
Energy: 1.2213685877597955
Energy: 1.2058188005720216
Energy: 1.2004064670754104
Energy: 4.107505901003212
Energy: 1.2902630290382304
Energy: 1.2258411427184364
Energy: 1.2182691080545982
Energy: 1.2304662995126885
Energy: 1.2187429872193731
Energy: 1.2667077739114823
Energy: 1.2822469164932437
Energy: 1.2124147118185118
Energy: 1.2505839659905034
Energy: 1.289059312066042
Energy: 1.2968152196565756
Energy: 1.272161098993616
Energy: 1.2530496034556424
Energy: 1.3038908897489858
Energy: 1.257214954974677
Energy: 1.2451820332003893
Energy: 1.2792758776059543
Energy: 1.2844044732831812
Energy: 1.2451264508937585
Energy: 1.268148163227307
Energy: 1.297078748039432
Energy: 1.2467566505989396
Energy: 1.2436398893832863
Energy: 1.2123247610459296
Energy: 1.2156507659592741
Energy: 1.2429807151791996
Energy: 1.254514396574579
Energy: 1.2222590782750238
Energy: 1.27416335332891
Energy: 1.2833172636094357
Energy: 1.2682880358947146
Energy: 1.2676098926219164
Energy: 1.2906151723526278
Energy: 1.252707358665744
Energy: 1.2415836655827528
Energy: 1.2758112783048778
Energy: 1.281492157859012
Energy: 1.2580615488898717
Energy: 1.25474350787469
Energy: 1.292586905238348
Energy: 1.27463107577221
Energy: 1.249516224021357
Energy: 1.2762920112255414
Energy: 1.2129737365247302
Energy: 1.2481021753452841
Energy: 1.2507723156644621
Energy: 1.3005090888635549
Energy: 1.2755174599514214
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Energy: 1.2791090893358674
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Energy: 1.2535126650846866
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Energy: 1.2093761838131538
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Energy: 1.2171881169622418
Energy: 1.2390267692471404
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Energy: 1.1997920535584299
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Energy: 1.2316289711964585
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Energy: 1.2173953392250019
Energy: 1.2230545064956098
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Energy: 1.2077913824466902
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Energy: 1.1985367879220854
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Energy: 1.2728254596666837
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Energy: 1.2190391454361857
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Energy: 1.1863350425859973
Energy: 1.232684586611049
Energy: 1.2240411732359513
Energy: 1.1961148688316232
Energy: 1.2139774474195821
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Energy: 1.2208778622877763
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Energy: 1.2140606716227422
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Energy: 1.2093374900408933
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Energy: 1.1811518702040278
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Energy: 1.2143816430584313
Energy: 1.1801938862981425
Energy: 1.220712706681814
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Energy: 1.2131703229215984
Energy: 1.2313330661521007
Energy: 1.2769727369804653
Energy: 1.2198356667337211
Energy: 1.2141173715269975
Energy: 1.2434618485991837
Energy: 1.2138306890707653
Energy: 1.228034611843282
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Energy: 1.2230449060705628
Energy: 1.2243114160911912
Energy: 1.2231465712034775
Energy: 1.237007171131204
Energy: 1.229063925761637
Energy: 1.2346942077934369
Energy: 1.223841994112535
Energy: 1.2148667754153628
Energy: 1.2220271744645006
Energy: 1.2341447025556105
Energy: 1.210119769804752
Energy: 1.2891648063259704
Energy: 1.2310970211178724
Energy: 1.2353327932551077
Energy: 1.2313662123792972
Energy: 1.2330609531589842
Energy: 1.2127128969131622
Energy: 1.2187619612955114
Energy: 1.2452987886141524
Energy: 1.2880501683108108
Energy: 1.2845981502884463
Energy: 1.2442198658706503
Energy: 1.2539958653125607
Energy: 1.2950446582589596
Energy: 1.2583783963233381
Energy: 1.2432359586521722
Energy: 1.2887667709657629
Energy: 1.2917811005112674
Energy: 1.263015437874408
Energy: 1.2630917862330515
Energy: 1.3083552117447423
Energy: 1.251127373592246
Energy: 1.2759289353396288
Energy: 1.28405665836109
Energy: 1.2379772770058133
Energy: 1.223326505506205
Energy: 1.2654561666118453
Energy: 1.2781758403491326
Energy: 1.2155520347310755
Energy: 1.2122860430182978
Energy: 1.2420984786901352
Energy: 1.2232571928731326
Energy: 1.2019497109572252
Energy: 1.1903419832020639
Energy: 1.2306823670107796
Energy: 1.210838570957547

minimum gb energy = 1.1745459741114452 eV
minimum distance =  2.32216804439583 Angstroms
sigma value = 401


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

Energy: 2.227449827235015
Energy: 1.3268946839031155
Energy: 1.3260709620036106
Energy: 2.251637414403623
Energy: 1.2012159495589492
Energy: 1.3322791529294127
Energy: 1.2968522988686746
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Energy: 1.3002069056466201
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Energy: 1.309957924766443
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Energy: 1.3491218505948723
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Energy: 1.3194705375270048
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Energy: 1.3159898538011174
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Energy: 1.2265103653591136
Energy: 1.2930351773227793
Energy: 1.2250120195526002
Energy: 1.25850147605665
Energy: 1.2648377761015932
Energy: 1.3400417518402203
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Energy: 1.2407045742541738
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Energy: 1.2271771960577418
Energy: 1.2407587431102558
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Energy: 1.2588754389940167
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Energy: 1.2454261904833863
Energy: 1.2416160353159376
Energy: 1.2723470005335975
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Energy: 1.268745187574825
Energy: 1.276871431599921
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Energy: 1.255572988322879
Energy: 1.2991894868631875
Energy: 1.3357915864922447
Energy: 1.4115979358765895
Energy: 1.3383743441383327
Energy: 1.3139127418203365
Energy: 1.3915300398831625
Energy: 1.338424593250818
Energy: 1.328308130953766
Energy: 1.3206618805146773
Energy: 1.3969491379273256
Energy: 1.3354457648436482
Energy: 1.3194112120636208
Energy: 1.3888125102246511
Energy: 1.2545243587017652
Energy: 1.3173512007940724
Energy: 1.3220708914463746
Energy: 1.2867922595713586
Energy: 1.28054127998048
Energy: 1.2657818679090629
Energy: 1.2727923349613948
Energy: 1.2845967265860239
Energy: 1.273000098106705
Energy: 1.291512501437793
Energy: 1.3956569694703969
Energy: 1.2788767362797564
Energy: 1.2532303571467398
Energy: 1.2466094831324301
Energy: 1.2955734302662991
Energy: 1.2358549136601458
Energy: 1.2546379330946686
Energy: 1.291276568431504
Energy: 1.268802999964741
Energy: 1.2642884303646338
Energy: 1.2491025613432645
Energy: 1.3061060105412328
Energy: 1.2709087674732547
Energy: 1.2651387334885966
Energy: 1.3693993450174478
Energy: 1.324290599951879
Energy: 1.317209742603683
Energy: 1.378455843750271
Energy: 1.2725233953294295
Energy: 1.3176844059217303
Energy: 1.3213568962706081
Energy: 1.3984218143403948
Energy: 1.403093310027944
Energy: 1.3124526431019252
Energy: 1.3110439358401271
Energy: 1.3971835415175153
Energy: 1.3201666455919643
Energy: 1.3100807839739868
Energy: 1.2376605995630794
Energy: 1.345722421204338
Energy: 1.3176157377041775
Energy: 1.3891098837050597
Energy: 1.254576212051152
Energy: 1.3137221618719377
Energy: 1.3082515521861329
Energy: 1.281023939893511
Energy: 1.2670192574947732
Energy: 1.2704119086917198
Energy: 1.2501724694731289
Energy: 1.3057525273635884
Energy: 1.2724191440498998
Energy: 1.2714913739787101
Energy: 1.2762760488628369
Energy: 1.2659432994964803
Energy: 1.2655660830362874
Energy: 1.247868249308131
Energy: 1.3013208936308756
Energy: 1.294864103050279
Energy: 1.2478599355877964
Energy: 1.2811612518374351
Energy: 1.296289963050078
Energy: 1.3088155464379254
Energy: 1.2734261205822042
Energy: 1.2814916118568511
Energy: 1.3067570658842949
Energy: 1.2500131759994586
Energy: 1.2839086307645196
Energy: 1.3124195451355112
Energy: 1.2836130389476945
Energy: 1.3116087524042903
Energy: 1.3036965080162326
Energy: 1.310077675329173
Energy: 1.3157512433122982
Energy: 1.2867281573629772
Energy: 1.2499167266787516
Energy: 1.3720285054512014
Energy: 1.318786396863913
Energy: 1.2977709909551187
Energy: 1.3342062528952703
Energy: 1.3858126884510105
Energy: 1.2972370944228877
Energy: 1.2923744867088964
Energy: 1.3057992705805157
Energy: 1.3158410714558946
Energy: 1.303414214362033
Energy: 1.3053518576126475
Energy: 1.329294526636646
Energy: 1.199565386524465
Energy: 1.2579392445667341
Energy: 1.2980018557247843
Energy: 1.2024439826557285
Energy: 1.2007774471134136
Energy: 1.3039365459444223
Energy: 1.2532228789435806

minimum gb energy = 1.199565386524465 eV
minimum distance =  2.28648783310735 Angstroms
sigma value = 311


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

Energy: 1.4599702955396578
Energy: 1.8658081354508615
Energy: 1.3970407317685207
Energy: 1.452812266083389
Energy: 1.5854289789002398
Energy: 1.4948441079935
Energy: 1.3790361695100908
Energy: 1.2860342544179137
Energy: 1.2677476502443787
Energy: 1.2855885675982683
Energy: 1.2888599926890447
Energy: 1.28337526773636
Energy: 1.2865731847731625
Energy: 1.279151177057865
Energy: 1.2666770793735356
Energy: 1.2887779194951847
Energy: 1.2772257962565194
Energy: 1.2525683359578812
Energy: 1.274881680684063
Energy: 1.2922039457482764
Energy: 1.3680053712545488
Energy: 1.2984133539826261
Energy: 1.1958036027628203
Energy: 1.285768384168705
Energy: 1.2962138485632484
Energy: 1.3781061005024813
Energy: 1.1932360513699254
Energy: 1.292988342504934
Energy: 1.272217004950084
Energy: 1.3098442246761832
Energy: 1.2522487215344726
Energy: 1.2524577757192839
Energy: 1.2983177607622873
Energy: 1.2829075026327101
Energy: 1.381566656528737
Energy: 1.3926633772855261
Energy: 1.4187834692829955
Energy: 1.3000662327682269
Energy: 1.3031644418366477
Energy: 1.2989252396468072
Energy: 1.3679209181665617
Energy: 1.3858563209719506
Energy: 1.4536521528139639
Energy: 1.4218360711700875
Energy: 1.440803576716359
Energy: 1.4675834747350545
Energy: 1.4383189473903488
Energy: 1.3437706895659152
Energy: 1.385684294351406
Energy: 1.3371725456920343
Energy: 1.3162559735893833
Energy: 1.3105110527329646
Energy: 1.248791582194534
Energy: 1.265865283623665
Energy: 1.2881901715901427
Energy: 1.2418952984995735
Energy: 1.262028740317304
Energy: 1.2269517483289545
Energy: 1.2599443998826916
Energy: 1.238068269693101
Energy: 1.2251994880079669
Energy: 1.2338085131761014
Energy: 1.2365468740100494
Energy: 1.2633981400991376
Energy: 1.3046999658295038
Energy: 1.234873039599522
Energy: 1.2788195278012584
Energy: 1.224990700585847
Energy: 1.3070597895185811
Energy: 1.225457723605228
Energy: 1.2363967310478217
Energy: 1.2285997892185028
Energy: 1.2406648016377138
Energy: 1.255120679572777
Energy: 1.2408943656399696
Energy: 1.2431709819745926
Energy: 1.2601511882141092
Energy: 1.2782005462878605
Energy: 1.2799144701700027
Energy: 1.312661484920603
Energy: 1.275441962123779
Energy: 1.1737070863512216
Energy: 1.3036232159943042
Energy: 1.272017859775284
Energy: 1.3976263656305326
Energy: 1.279524085865384
Energy: 1.2963769874663424
Energy: 1.2587719133808648
Energy: 1.2957512606095727
Energy: 1.2955775164453522
Energy: 1.1602838973150769
Energy: 1.2444044136316417
Energy: 1.229489168417113
Energy: 1.242165087860537
Energy: 1.2613464268371266
Energy: 1.2446642946759774
Energy: 1.2538995107527473
Energy: 1.2599016775114737
Energy: 1.2262324860531741
Energy: 1.2255370379055388
Energy: 1.2277644183089196
Energy: 1.2296477668589476
Energy: 1.2271943672538368
Energy: 1.2276088000661936
Energy: 1.2350438189171176
Energy: 1.2870620107618573
Energy: 1.2672018087271306
Energy: 1.1592703344501967
Energy: 1.2884478492339353
Energy: 1.290210855452199
Energy: 1.2750149086741256
Energy: 1.158411313561283
Energy: 1.348764813545743
Energy: 1.2474779094301605
Energy: 1.2280808006281023
Energy: 1.256535313987296
Energy: 1.2700681273261525
Energy: 1.2561674267770764
Energy: 1.242512824966624
Energy: 1.379643698054126
Energy: 1.5127831333261184
Energy: 1.3701708743704308
Energy: 1.2381578886539883
Energy: 1.2435511274489328
Energy: 1.3037029609785489
Energy: 1.3599400568987072
Energy: 1.4350907708196854
Energy: 1.4792018273624554
Energy: 1.4590826721260766
Energy: 1.4395168708632526
Energy: 1.3517182391549667
Energy: 1.3626193816511487
Energy: 1.3363771623868426
Energy: 1.3421384805607395
Energy: 1.3287448518482303
Energy: 1.3048518434377832
Energy: 1.3056105745316073
Energy: 1.3227728341708707
Energy: 1.3773793315739873
Energy: 1.298868249915224
Energy: 1.3592247564521318
Energy: 1.370468798236805
Energy: 1.3307765456996086
Energy: 1.3846173711119296
Energy: 1.3304706743054395
Energy: 1.3952533302673116
Energy: 1.328315564368248
Energy: 1.3575746781538975
Energy: 1.3290188179865332
Energy: 1.351192168547288
Energy: 1.2282878674855866
Energy: 1.3293754460050424
Energy: 1.3394008669292121
Energy: 1.3702389235330168
Energy: 1.3412269143451767
Energy: 1.3210444113791389
Energy: 1.358290785152358
Energy: 1.337489616402644
Energy: 1.3426257428194097
Energy: 1.3619204807728231
Energy: 1.3198787645330015
Energy: 1.4042394070312143
Energy: 1.4265637317255984
Energy: 1.4507479850263962
Energy: 1.1613977823855623
Energy: 1.313376306311231
Energy: 1.2379644333067574
Energy: 1.1595896345795156
Energy: 1.3967799439930328
Energy: 1.4115490135805955
Energy: 1.3043300089150285
Energy: 1.2969292852174372
Energy: 1.313203324414145
Energy: 1.1988159143904995
Energy: 1.161037373524165
Energy: 1.3262451080740232
Energy: 1.3118728332729819
Energy: 1.2462716038077863
Energy: 1.3478217578152032
Energy: 1.3252995843343056
Energy: 1.3525953626069274
Energy: 1.2420761316446136
Energy: 1.3382943449176294
Energy: 1.3283373528199265
Energy: 1.34695817373058
Energy: 1.2709286223429348
Energy: 1.333295261305399
Energy: 1.337901846124081
Energy: 1.3568193181093051
Energy: 1.285435666418804
Energy: 1.362515681135842
Energy: 1.327083428792674
Energy: 1.1633140104575272
Energy: 1.2637462057223983
Energy: 1.3747142742007792
Energy: 1.336433915633873
Energy: 1.3156306950670442
Energy: 1.3071172364354064
Energy: 1.2764177318284435
Energy: 1.2734217631303937
Energy: 1.3485160137726835
Energy: 1.2633906141321718
Energy: 1.3471478135014394
Energy: 1.4338141635290786
Energy: 1.4356564072175881
Energy: 1.4121999799889617
Energy: 1.409263478269897
Energy: 1.4520078861326295
Energy: 1.4733204496886834
Energy: 1.478966628420287
Energy: 1.4285540416345746
Energy: 1.437613106798823
Energy: 1.238921112087527
Energy: 1.3705068511227567
Energy: 1.2623613374809195
Energy: 1.2753988156598857
Energy: 1.27328993438908
Energy: 1.2711106566658557
Energy: 1.2826686282620177
Energy: 1.2694233593713928
Energy: 1.2521631147617172
Energy: 1.2656131402014963
Energy: 1.2810928173582137
Energy: 1.3552297439676297
Energy: 1.3372669239496282
Energy: 1.235606992363391
Energy: 1.3064860598809842
Energy: 1.3371405822585347
Energy: 1.3505244178780806
Energy: 1.2312227222005656
Energy: 1.2911718357743707
Energy: 1.2671358208850756
Energy: 1.2882333953312175
Energy: 1.2524939813928615
Energy: 1.2532085729591738
Energy: 1.3099330331521393
Energy: 1.2856968914960025
Energy: 1.2570433838899342
Energy: 1.298882515824365
Energy: 1.3015959833488444
Energy: 1.2938815431476198
Energy: 1.275976874566976
Energy: 1.283539871271645
Energy: 1.2859118576114608
Energy: 1.2778221072804514
Energy: 1.4238402372183712
Energy: 1.4054183858365923
Energy: 1.4016607385257231
Energy: 1.4080476972196045
Energy: 1.4279425228710165
Energy: 1.3101388546780237
Energy: 1.2413412185800137

minimum gb energy = 1.158411313561283 eV
minimum distance =  2.30301498972408 Angstroms
sigma value = 39


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

Energy: 1.5575869382394618
Energy: 1.232813308821714
Energy: 1.2848490111409414
Energy: 1.5631401744818356
Energy: 1.5623195899586013
Energy: 1.284613576117883
Energy: 1.2783330401095219
Energy: 1.2850335636959116
Energy: 1.174938367900043
Energy: 1.1726727645230905
Energy: 1.2850299288161884
Energy: 1.2311142832363782
Energy: 1.1736015578900245
Energy: 1.2868971721303062
Energy: 1.292576553596163
Energy: 1.1795816948943991
Energy: 1.2330174821786772
Energy: 1.2934500317543494
Energy: 1.1726683805869464
Energy: 1.1740345568298436
Energy: 1.2267407487117237
Energy: 1.2777428824154382
Energy: 1.1523321589977091
Energy: 1.2250568844453285
Energy: 1.2771846258618695
Energy: 1.2278641132626056
Energy: 1.1511564269573122
Energy: 1.2268148745873801
Energy: 1.236342021499156
Energy: 1.1821958313876582
Energy: 1.2338621672370897
Energy: 1.2315875409749855
Energy: 1.1811109991074278
Energy: 1.1740370493825036
Energy: 1.2326320507751882
Energy: 1.2291059204969965
Energy: 1.1792161249166044
Energy: 1.174826821827645
Energy: 1.2319383664064405
Energy: 1.174442071832382
Energy: 1.174749983905177
Energy: 1.2326802595028372
Energy: 1.2259039846042932
Energy: 1.1737764848690115
Energy: 1.1740436531294458
Energy: 1.2779247688021935
Energy: 1.2032945706869698
Energy: 1.173932813359454
Energy: 1.2259261822596663
Energy: 1.2334436395903452
Energy: 1.1810667487322521
Energy: 1.1736822755191285
Energy: 1.233202767677576
Energy: 1.173445825118457
Energy: 1.174205287217824
Energy: 1.2861533118741362
Energy: 1.2338358203443063
Energy: 1.2279708580233568
Energy: 1.1829122785575445
Energy: 1.3033053659059102
Energy: 1.226610096900572
Energy: 1.1796248297209233
Energy: 1.2846012674111575
Energy: 1.2342612181465111
Energy: 1.2257741677599474
Energy: 1.295167908208485
Energy: 1.277388334123088
Energy: 1.2269820161938314
Energy: 1.3114355985099082
Energy: 1.3559562090407473
Energy: 1.225939725741116
Energy: 1.1748875656664213
Energy: 1.1744781765640446
Energy: 1.2941232742817237
Energy: 1.2270338925579776
Energy: 1.1748212957389528
Energy: 1.295196201949101
Energy: 1.2361728955252889
Energy: 1.1518171069271874
Energy: 1.233093751832371
Energy: 1.2841888200606086
Energy: 1.202227879598818
Energy: 1.1727547689733409
Energy: 1.286569002787194
Energy: 1.3559709485294282
Energy: 1.1518318597114543
Energy: 1.2808840270928519
Energy: 1.2987603350191705
Energy: 1.228420035064437
Energy: 1.1523879666748957
Energy: 1.3002647676452819
Energy: 1.2926686660876083
Energy: 1.1795326970333904
Energy: 1.2304695998960467
Energy: 1.2938164503984664
Energy: 1.174296927537721
Energy: 1.173012425345519
Energy: 1.285197950981471
Energy: 1.2765821934115638
Energy: 1.1722781074643116
Energy: 1.1725048904879785
Energy: 1.2852094707984805
Energy: 1.2325149045919574
Energy: 1.2024423661838535
Energy: 1.2939383576068628
Energy: 1.2758029931036796
Energy: 1.22847879849492
Energy: 1.2826276350712376
Energy: 1.3007688988166823
Energy: 1.332902541984117
Energy: 1.1747056974982788
Energy: 1.301203783144316
Energy: 1.2844288703374573
Energy: 1.174504257163445
Energy: 1.1729411654754565
Energy: 1.2848146922277934
Energy: 1.2298136136769033
Energy: 1.1751067245702989
Energy: 1.2868891630499064
Energy: 1.2930740912713576
Energy: 1.1795924798735344
Energy: 1.2279783536479596
Energy: 1.2936376872822768
Energy: 1.173149415144276
Energy: 1.17494041215766
Energy: 1.22744188403601
Energy: 1.277118716546884
Energy: 1.152267940244949
Energy: 1.2272187747776366
Energy: 1.2766061035676999
Energy: 1.228169633038027
Energy: 1.1512093348205592
Energy: 1.2251482056393492
Energy: 1.2361798995389786
Energy: 1.1815272854475214
Energy: 1.2328449075788028
Energy: 1.2309282810436846
Energy: 1.181541960484763
Energy: 1.1729278456259349
Energy: 1.2331861663977186
Energy: 1.2295179151033895
Energy: 1.1791954601826835
Energy: 1.1743409894725412
Energy: 1.2319846103692316
Energy: 1.1742315528847698
Energy: 1.1746205196768758
Energy: 1.2333363908042567
Energy: 1.2261876087237786
Energy: 1.173992575333327
Energy: 1.1732262485566778
Energy: 1.2782220400815756
Energy: 1.2031768978335935
Energy: 1.1739150992824505
Energy: 1.2262892128126437
Energy: 1.2342676229082987
Energy: 1.1802076500896628
Energy: 1.1737831881604202
Energy: 1.2334086239951922
Energy: 1.1733699547175303
Energy: 1.1741920003537039
Energy: 1.2865863517875515
Energy: 1.2339916654233847
Energy: 1.229385507523389
Energy: 1.180308747707514
Energy: 1.3034470501323554
Energy: 1.2265169635217978
Energy: 1.1798788820151842
Energy: 1.285192856644309
Energy: 1.2337609446187012
Energy: 1.2259305248145216
Energy: 1.294924484391382
Energy: 1.3576046109965458
Energy: 1.2272303977368564
Energy: 1.3109564500850759
Energy: 1.3552604452731596
Energy: 1.2263582512644664
Energy: 1.1752754487279196
Energy: 1.1739381935978592
Energy: 1.2938075641960092
Energy: 1.2276853724399368
Energy: 1.174788046658369
Energy: 1.295189199803087
Energy: 1.2363932701353118
Energy: 1.1516093083650831
Energy: 1.2329784924608171
Energy: 1.2845824816610387
Energy: 1.2027233903383858
Energy: 1.2266985800964745
Energy: 1.2784193917428048
Energy: 1.3559851013089008
Energy: 1.15195142993793
Energy: 1.2848470774498901
Energy: 1.2988771163664918
Energy: 1.2279910501964735
Energy: 1.1536791967495599
Energy: 1.2996696987894838
Energy: 1.2926476402177274
Energy: 1.1797421066777187
Energy: 1.2312060432893042
Energy: 1.293535395560957
Energy: 1.1741048564775287
Energy: 1.173098792183418
Energy: 1.284869297659085
Energy: 1.2765026746345083
Energy: 1.2348273565661778
Energy: 1.1726835421541484
Energy: 1.2855899332685559
Energy: 1.235349807863207
Energy: 1.2034810493521475
Energy: 1.2837264935643153

minimum gb energy = 1.1511564269573122 eV
minimum distance =  2.34251294894544 Angstroms
sigma value = 21


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

Energy: 1.7029771689478654
Energy: 1.3523739997549882
Energy: 1.2356446110264163
Energy: 1.701902405360915
Energy: 1.5515856200866518
Energy: 1.1882834969174405
Energy: 1.129145593348273
Energy: 1.3348559459747174
Energy: 1.1956423293656067
Energy: 1.1985198698971227
Energy: 1.3298831139056235
Energy: 1.239726530887657
Energy: 1.198527928059326
Energy: 1.2779082436905167
Energy: 1.3323828354048919
Energy: 1.1907245474368622
Energy: 1.1969641910807705
Energy: 1.32588554212157
Energy: 1.1683753553675837
Energy: 1.198028076923745
Energy: 1.2063689755621287
Energy: 1.3097947029547343
Energy: 1.1088002215433563
Energy: 1.121211734479784
Energy: 1.304010648788544
Energy: 1.2290593603502518
Energy: 1.121237638727474
Energy: 1.2300976510093973
Energy: 1.175627756608898
Energy: 1.1160812921596694
Energy: 1.1991064795474182
Energy: 1.2000899151983055
Energy: 1.2055366754538013
Energy: 1.1214030702551987
Energy: 1.19965543523153
Energy: 1.1309860999343788
Energy: 1.2118381878937057
Energy: 1.198475951674231
Energy: 1.1430495596771562
Energy: 1.2049126924353954
Energy: 1.1960855616301442
Energy: 1.1968077397384713
Energy: 1.1308990717012974
Energy: 1.2053598834169221
Energy: 1.1089210106986143
Energy: 1.144721708164973
Energy: 1.19246415856273
Energy: 1.2007695003892367
Energy: 1.1507536215175913
Energy: 1.1364804853394797
Energy: 1.1961729434821338
Energy: 1.1110678935921725
Energy: 1.1464053311067108
Energy: 1.158705840347589
Energy: 1.2542421705099163
Energy: 1.0894388245276518
Energy: 1.153729670857023
Energy: 1.1679834779616072
Energy: 1.1922090205775007
Energy: 1.1434664122611056
Energy: 1.1622259539864044
Energy: 1.2200127986176048
Energy: 1.1458601171544893
Energy: 1.1305358825124285
Energy: 1.1574352431438206
Energy: 1.1303969115388652
Energy: 1.1312134696136864
Energy: 1.1406274085939085
Energy: 1.1367925889525923
Energy: 1.1321660154347548
Energy: 1.1301976001156884
Energy: 1.1548442360386597
Energy: 1.1716784625724408
Energy: 1.1489954417586012
Energy: 1.1525319630280064
Energy: 1.1623512476505955
Energy: 1.1477000257886996
Energy: 1.1298181258918183
Energy: 1.152787537879809
Energy: 1.1805136705399806
Energy: 1.146192800876096
Energy: 1.1510119803592411
Energy: 1.2135706261186145
Energy: 1.1468543281911283
Energy: 1.1309517588433349
Energy: 1.1671059189599509
Energy: 1.1604774477782593
Energy: 1.1579299900390154
Energy: 1.182469095153846
Energy: 1.1651264553856633
Energy: 1.193984902825136
Energy: 1.1287622347596618
Energy: 1.2327967155182549
Energy: 1.1709358907002974
Energy: 1.1576208295876014
Energy: 1.2772269838997423
Energy: 1.19763133524192
Energy: 1.1760945326868344
Energy: 1.1993359303586053
Energy: 1.1674076287794968
Energy: 1.1770624308070452
Energy: 1.1834647995828695
Energy: 1.1955333772864734
Energy: 1.1771540745271303
Energy: 1.1655522381127494
Energy: 1.287685538492859
Energy: 1.167840914271765
Energy: 1.1654955107208582
Energy: 1.2595771778854092
Energy: 1.2101635615926207
Energy: 1.1748619558152433
Energy: 1.1830265544482126
Energy: 1.2872770024631872
Energy: 1.168770475806456
Energy: 1.2106134778093245
Energy: 1.3123236617128173
Energy: 1.2096999199947598
Energy: 1.1755623726264035
Energy: 1.1913194174036776
Energy: 1.295530686618797
Energy: 1.1952455226709837
Energy: 1.1842242006310828
Energy: 1.310209515548963
Energy: 1.2414784767340061
Energy: 1.1838120015844884
Energy: 1.2063224787236975
Energy: 1.1752247741675408
Energy: 1.211555978274043
Energy: 1.225973788255554
Energy: 1.3340770222295828
Energy: 1.2192980485737666
Energy: 1.1936234110313295
Energy: 1.1880383612656105
Energy: 1.3357087808472106
Energy: 1.2127477001477536
Energy: 1.175312061467476
Energy: 1.332064075367237
Energy: 1.2971776095655936
Energy: 1.1976573650619646
Energy: 1.3061062106736132
Energy: 1.3336560723462354
Energy: 1.2530033457710918
Energy: 1.183758559144725
Energy: 1.3288105533713825
Energy: 1.2555078510771174
Energy: 1.1751733634912542
Energy: 1.1831585838710104
Energy: 1.330856924902588
Energy: 1.246752230967103
Energy: 1.3235428208796607
Energy: 1.3247000706845742
Energy: 1.2357672712169943
Energy: 1.282065134428883
Energy: 1.3302005816973075
Energy: 1.330565887830202
Energy: 1.2477203604274798
Energy: 1.2733748525685193
Energy: 1.3296443841785301
Energy: 1.2790253198590738
Energy: 1.2432141546911197
Energy: 1.3307639033449004
Energy: 1.333798230131339
Energy: 1.1684507298814903
Energy: 1.1757128216990174
Energy: 1.331394070611814
Energy: 1.2410689931906158
Energy: 1.1976805716167391
Energy: 1.3070115122268335
Energy: 1.286528419652785
Energy: 1.1988600181819573
Energy: 1.1755147458486992
Energy: 1.2813417851789566
Energy: 1.2809063134371121
Energy: 1.197054858637275
Energy: 1.30522364893881

minimum gb energy = 1.0894388245276518 eV
minimum distance =  2.31532923380151 Angstroms
sigma value = 113


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

Energy: 1.662527745237305
Energy: 1.0464756580232124
Energy: 1.0893051350594063
Energy: 1.1208090776648596
Energy: 1.12069008085962
Energy: 1.0334020820274696
Energy: 1.0081202901345536
Energy: 1.0967417366827554
Energy: 1.058485264943806
Energy: 1.0681287324887632
Energy: 1.0971992741329069
Energy: 1.0607943098404908
Energy: 1.0567358779588543
Energy: 1.101311125562858
Energy: 1.0326069071182469
Energy: 1.0565997493396115
Energy: 1.1005140306062948
Energy: 1.0700043383479776
Energy: 1.0566621537404193
Energy: 1.0557838166221771
Energy: 1.0995914259974229
Energy: 1.009658786353479
Energy: 1.047628269047843
Energy: 1.0350309321698759
Energy: 0.9859738156961367
Energy: 1.0145153168030745
Energy: 1.0435424951958876
Energy: 1.0930985317386739
Energy: 0.981297728250674
Energy: 1.0588642880532988
Energy: 1.0567497153189853
Energy: 1.0705345720628137
Energy: 1.064193940566745
Energy: 1.0387496458088816
Energy: 1.069590145659292
Energy: 1.0346944872137838
Energy: 1.0561075022982715
Energy: 1.053568294834417
Energy: 1.0255137889064276
Energy: 1.018619051557249
Energy: 1.0502412597992088
Energy: 1.0101113662760814
Energy: 1.012242569791193
Energy: 0.9946174918563471
Energy: 1.03307565683826
Energy: 0.9938456196386736
Energy: 1.0198439410087596
Energy: 1.0519921244736876
Energy: 1.05310287580119
Energy: 1.0165975319994305
Energy: 0.992987973843923
Energy: 1.0317125828223717
Energy: 0.9941094274281714
Energy: 1.0192830489291187
Energy: 1.0525219782823565
Energy: 0.9853735437465884
Energy: 1.0339164574309612
Energy: 1.0246162654411972
Energy: 1.0196240803270176
Energy: 0.9881720570580625
Energy: 1.019103611136012
Energy: 1.0445653565542485
Energy: 0.9903003201108762
Energy: 0.9767417783669758
Energy: 1.0051579549250214
Energy: 0.9829246879286891
Energy: 0.9902907883182362
Energy: 1.0037251644755172
Energy: 0.995411108959908
Energy: 0.9898027157053007
Energy: 0.9778444455686599
Energy: 1.0290026969689192
Energy: 0.9807979582146441
Energy: 0.9910528973514622
Energy: 0.9908613004105737
Energy: 0.9922448138945703
Energy: 0.9939206995048606
Energy: 1.0027624686339398
Energy: 1.0050845797839987
Energy: 0.9827383585702157
Energy: 1.0085358476895976
Energy: 1.0296358275541937
Energy: 0.9941297630986756
Energy: 0.985882786396011
Energy: 0.9853764328140799
Energy: 0.9957108077635133
Energy: 0.9605182489294116
Energy: 0.9805036656411602
Energy: 1.0002886331393153
Energy: 0.9595708062226092
Energy: 0.9762087355164084
Energy: 0.9848366352328782
Energy: 0.9636717213269088
Energy: 0.9578800738655656
Energy: 0.9768822602122131
Energy: 0.9721737682291353
Energy: 0.9431990330684212
Energy: 0.9767535431161576
Energy: 0.9874350258117705
Energy: 0.97405003815078
Energy: 0.9629646830624716
Energy: 0.9973824801586286
Energy: 0.9964651052280187
Energy: 0.9765072600072089
Energy: 0.9944256794032992
Energy: 0.9504070949835514
Energy: 0.9529348284431327
Energy: 0.9576417485604557
Energy: 0.9616374675914724
Energy: 0.9488421295674657
Energy: 0.9622585520739115
Energy: 0.96759965332527
Energy: 0.9484410591646064
Energy: 0.9482104568255528
Energy: 0.9720846443685088
Energy: 0.968476631176858
Energy: 0.9490142533311566
Energy: 0.9541639681039158
Energy: 0.967230913495422
Energy: 0.9577066810400188
Energy: 0.9574130397062882
Energy: 0.986591612972195
Energy: 0.9756623353862685
Energy: 0.9571266376688624
Energy: 0.9716071347109118
Energy: 0.9724329539509867
Energy: 0.9573689682137407
Energy: 0.9500613913908809
Energy: 0.967045019908481
Energy: 0.9699939453049405
Energy: 0.9551528187399135
Energy: 0.9712134933857886
Energy: 0.9678918811888579
Energy: 0.948451102510157
Energy: 0.9410976192588155
Energy: 0.9766663688550458
Energy: 0.9651705542030278
Energy: 0.934959515000116
Energy: 0.9548619451620298
Energy: 0.9442206373595846
Energy: 0.9703004415812513
Energy: 0.9719218097202651
Energy: 0.9576104701083048
Energy: 0.959459184580555
Energy: 0.9695873046900381
Energy: 0.9665119877975434
Energy: 0.9580784918373412
Energy: 0.9603304966908621
Energy: 0.9884795504251173
Energy: 0.9613917976737939
Energy: 0.9588779713133415
Energy: 0.967521987619627
Energy: 0.9715896911315456
Energy: 0.9629462576739268
Energy: 0.9517335329939508
Energy: 0.9306306811391603
Energy: 0.9359085873225284
Energy: 0.965740480458694
Energy: 0.9714551693952931
Energy: 0.9354472438488625
Energy: 0.9545382910506136
Energy: 0.9649068672565434
Energy: 0.9747535338730406
Energy: 0.9559627416027802
Energy: 0.9684043347165084
Energy: 0.9748462872669658
Energy: 0.9570293424131108
Energy: 0.9685858111785249
Energy: 0.9943515668202085
Energy: 0.9722525360446911
Energy: 0.9563805302119858
Energy: 0.9752496419038189
Energy: 0.9953578928963724
Energy: 0.9576167198306426
Energy: 0.9693774746767506
Energy: 0.9676292934923435
Energy: 0.9505125505851895
Energy: 0.9451997726347786
Energy: 0.9698453459060836
Energy: 0.9705106623074484
Energy: 0.9499996191342317
Energy: 0.9574064885560039
Energy: 0.9653935087342458
Energy: 0.9553834018178146
Energy: 0.9638990012115765
Energy: 0.9911931627602553
Energy: 0.9710252074197002
Energy: 0.9503335485829428
Energy: 0.9555466178017104
Energy: 0.9669026869792101
Energy: 0.9812948894378128
Energy: 0.9866475220987899
Energy: 0.9963260882015211
Energy: 0.9755196941743182
Energy: 0.9734669171994489
Energy: 1.0005549402956957
Energy: 0.9555056706902989
Energy: 0.9579444563183008
Energy: 0.9833963513594437
Energy: 0.9762745630737655
Energy: 0.9572168992564348
Energy: 0.9813027884578052
Energy: 0.9915966096373076
Energy: 0.972664964374146
Energy: 0.963725167189759
Energy: 0.9706807954385209
Energy: 0.976510696476248
Energy: 0.956517482429772
Energy: 0.9737344990590568
Energy: 0.9799545994827545
Energy: 1.0008188910289557
Energy: 0.9983405104328733
Energy: 1.019058331745922
Energy: 1.0002318899870293
Energy: 0.9938474790861347
Energy: 1.0115937968992808
Energy: 1.0132469836955782
Energy: 0.9996581887913818
Energy: 0.9915512830132674
Energy: 0.9908086110495592
Energy: 0.9900420536701738
Energy: 0.9829392548615372
Energy: 0.9926732294778553
Energy: 0.9791608686003622
Energy: 0.9954471334660374
Energy: 1.0762160157566645
Energy: 1.0063072473796995
Energy: 0.9901057032306557
Energy: 0.9801340136810174
Energy: 1.0056203822799101
Energy: 1.0299918969116626
Energy: 1.011069160371074
Energy: 1.049363274692712
Energy: 1.0215246159382831
Energy: 0.9876847058696595
Energy: 1.0498183341107252
Energy: 1.022405993716065
Energy: 1.0262229605381668
Energy: 1.0086134789245484
Energy: 1.067490903046474
Energy: 1.0159750364322744
Energy: 0.9968651578767033
Energy: 1.0181301028486065
Energy: 1.021020546382472
Energy: 1.025176214774251
Energy: 1.0092360517198093
Energy: 1.0439439656898877
Energy: 1.0142925514958525
Energy: 0.9877610629761989
Energy: 1.0531626072862303
Energy: 1.019870874712639
Energy: 1.0428381401289692
Energy: 1.0266353371495327
Energy: 1.0502165323067567
Energy: 1.0194164550610036
Energy: 1.0290166468017767
Energy: 1.0508906128893412
Energy: 1.0210400392239627
Energy: 1.0251825736022715
Energy: 1.0968909261596018
Energy: 1.0404852438729955
Energy: 1.0298171565895606
Energy: 1.0958899284117771
Energy: 1.0395138100664754
Energy: 1.0643026068547277
Energy: 1.0366022855049868
Energy: 1.0955157723935234
Energy: 1.0165880711954869
Energy: 1.0093012409774913
Energy: 1.0631614499417172
Energy: 1.0385241686038553
Energy: 1.0269958571110354
Energy: 0.9884992435863769
Energy: 1.0990217612015987
Energy: 1.05381377991092
Energy: 1.0560024104696253
Energy: 1.1007614605830693
Energy: 1.1000695087605066
Energy: 1.0540428029822013
Energy: 1.0494214071566046
Energy: 1.0973990026716107
Energy: 1.0591318242748795
Energy: 1.099638140887676
Energy: 1.1026374182470822
Energy: 1.0590475410376816
Energy: 1.0747110885943665
Energy: 1.0925260291612922
Energy: 1.0082869076562302
Energy: 1.0125859617146702
Energy: 1.093673597020586
Energy: 1.0094273490557821
Energy: 1.015582130113088
Energy: 1.092821735852687
Energy: 1.0651026131606616
Energy: 1.104347049090018
Energy: 1.0517473103603256
Energy: 1.0546868301223749
Energy: 1.1312402756245854
Energy: 1.0655208227768997
Energy: 1.0219830863765464
Energy: 1.1019650695188217
Energy: 1.098233988797924
Energy: 1.05587089253851
Energy: 1.0554546513521281
Energy: 1.0964797985666668
Energy: 1.1015556077940618
Energy: 1.0627424958510703
Energy: 1.1097701761711756
Energy: 1.1514533814987218
Energy: 1.045798681874871
Energy: 1.0156478575078722
Energy: 1.0835132377547207
Energy: 1.053647434444432
Energy: 1.0272921523602305
Energy: 1.0088320461042846

minimum gb energy = 0.9306306811391603 eV
minimum distance =  2.32745189975919 Angstroms
sigma value = 365


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

Energy: 28.876047142013984
Energy: 28.943088472013716
Energy: 26.374312233333654
Energy: 26.618171492631276
Energy: 26.694480435520966
Energy: 26.48341705495073
Energy: 26.302676007977784
Energy: 0.41399085981854006
Energy: 0.388178729414016
Energy: 0.3862378595374317
Energy: 0.38484662398725794
Energy: 0.3843321054836725
Energy: 0.3854337917520827
Energy: 0.38674306296651173
Energy: 0.41515784904038017
Energy: 0.38801774376555187
Energy: 0.38640182489913155
Energy: 0.3852471787277544
Energy: 0.3850021450665651
Energy: 0.38563963833567894
Energy: 0.38722582385518706
Energy: 1.1708191935074677
Energy: 1.1382457729412643
Energy: 1.1933014999808857
Energy: 1.192645350832621
Energy: 1.1907428713815393
Energy: 1.1926134195947191
Energy: 1.1938898935876203
Energy: 1.157307657953122
Energy: 1.1392026041392738
Energy: 1.1364765575887665
Energy: 1.1356733445201652
Energy: 1.189558325363916
Energy: 1.1359671249723708
Energy: 1.1383506860197194
Energy: 0.4154700993087631
Energy: 0.3873784070359598
Energy: 0.38604675572107044
Energy: 0.38531631003884653
Energy: 0.38507162517706733
Energy: 0.3856614637389937
Energy: 0.3867908078626226
Energy: 2.257510038379489
Energy: 1.1384428169157446
Energy: 1.189664270993099
Energy: 1.1898996427532056
Energy: 1.1902916396452976
Energy: 1.1910943146780433
Energy: 1.137965123630599
Energy: 1.15712263181821
Energy: 1.1390261353759386
Energy: 1.1909199215166733
Energy: 1.1939924637960535
Energy: 1.1922575065439343
Energy: 1.1949108167017313
Energy: 1.1370871196291865
Energy: 0.4152608392365207
Energy: 0.38822054777311366
Energy: 0.38628662094916344
Energy: 0.3849943868265741
Energy: 0.3850695136879645
Energy: 0.38568684354717797
Energy: 0.38691747388418823
Energy: 1.1573460356491287
Energy: 1.1379776419149286
Energy: 1.1365851702579008
Energy: 1.1357487747228612
Energy: 1.1354494787202667
Energy: 1.1362424130677449
Energy: 1.138060150305974
Energy: 1.1726392612711178
Energy: 1.1380684782211858
Energy: 1.194707924310306
Energy: 1.1915731209893885
Energy: 1.192267855050432
Energy: 1.1910335345271126
Energy: 1.192772033814212
Energy: 0.41468744491293363
Energy: 0.38789229255343466
Energy: 0.3864748084585338
Energy: 0.38520172096827165
Energy: 0.3850393355239583
Energy: 0.38555091560507837
Energy: 0.3868676311441936
Energy: 0.4136670651750901
Energy: 0.38769929912913825
Energy: 0.38611169596102185
Energy: 0.3849425163268585
Energy: 0.3846016929273864
Energy: 0.3855650277898844
Energy: 0.3870118941894816
Energy: 1.17512089143084
Energy: 1.1382226135796403
Energy: 1.22197772798096
Energy: 1.1901845294376232
Energy: 1.1902093470090729
Energy: 1.1929057672743084
Energy: 1.1948213820526299
Energy: 1.1574125407376603
Energy: 1.1389877112923101
Energy: 1.1362631370150464
Energy: 0.3845130596457531
Energy: 0.38415188152377877
Energy: 0.38511660194053216
Energy: 1.1381418790314193
Energy: 0.4144145345210832
Energy: 0.38777896818084856
Energy: 0.3861285100675334
Energy: 0.38542940544568993
Energy: 0.38484188987534323
Energy: 0.38568376679023675
Energy: 0.3870942917835768
Energy: 1.1685035563255586
Energy: 1.1384423270898125
Energy: 1.1916403870945058
Energy: 1.192642304541941
Energy: 1.1889170715945636
Energy: 1.1929822933547147
Energy: 1.1942527698371812
Energy: 1.1579774816433341
Energy: 1.1386870164291567
Energy: 1.1372890187039872
Energy: 1.1904485767209825
Energy: 1.1894274671015546
Energy: 1.1352069247112977
Energy: 1.1382193655045594
Energy: 0.4152301553183256
Energy: 0.38811202343499224
Energy: 0.3859582802571147
Energy: 0.3852431173944429
Energy: 0.38493541835999395
Energy: 0.3855984156014423
Energy: 0.38674615097193965
Energy: 1.1551934594189401
Energy: 1.138032922541407
Energy: 1.136778297393202
Energy: 1.1902686032253187
Energy: 1.189719960525369
Energy: 1.1996777204173552
Energy: 1.1377220005519535

minimum gb energy = 0.38415188152377877 eV
minimum distance =  2.3988265474805 Angstroms
sigma value = 23