Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
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=2.855312585830688
cohesive_energy=4.013297914458148
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=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -1.0020108799634038e-16]
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: 0.015192434741428113
Energy: 1.4234782006811435
Energy: 1.5927561866939388
Energy: 0.015766017827553103
Energy: 0.015789488217994856
Energy: 1.5902650986224818
Energy: 0.015511047905028793
Energy: 0.16850613355378521
Energy: 0.2030091234614454
Energy: 0.37598867781097645
Energy: 0.1683787283263335
Energy: 0.37563317693567094
Energy: 0.3761481915726947
Energy: 0.16846670034039
Energy: 0.16859144226432013
Energy: 0.3754411973101912
Energy: 0.3764543635716971
Energy: 0.16842950604930004
Energy: 0.37557304213895143
Energy: 0.20333312198931616
Energy: 0.16809151740353287
Energy: 0.16905687068349456
Energy: 0.37644619671940605
Energy: 0.20390236269775927
Energy: 0.1691057255228449
Energy: 0.16947718447200158
Energy: 0.20375462367304062
Energy: 0.16824520825189548
Energy: 0.1680244946167588
Energy: 0.20350814305094783
Energy: 0.37758350735939605
Energy: 0.16921141045988003
Energy: 0.37549436505211065
Energy: 0.20300278057630167
Energy: 0.16872971274549226
Energy: 0.015572278316603008
Energy: 0.20306302149157213
Energy: 0.3759496429494536
Energy: 0.015976030846942185
Energy: 0.01621141483646134
Energy: 0.3757408375165685
Energy: 0.1688694710246182

minimum gb energy = 0.015192434741428113 eV
minimum distance =  2.44091819217924 Angstroms
sigma value = 5


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

Energy: 2.365836012438787
Energy: 1.8264849955458546
Energy: 1.7129419944929385
Energy: 1.2522690810093007
Energy: 1.2505078144871227
Energy: 2.1040820299382887
Energy: 1.6226820431913713
Energy: 1.294269532639817
Energy: 1.3091921840246905
Energy: 1.3017408917035593
Energy: 1.2876572762295004
Energy: 1.2649500011020474
Energy: 1.2734660355762337
Energy: 1.3194318910712153
Energy: 1.239481137321682
Energy: 1.266793073624547
Energy: 1.2707652387944872
Energy: 1.2698307030474891
Energy: 1.2979954015305748
Energy: 1.2698023279128876
Energy: 1.2750032985699278
Energy: 1.2011471418023971
Energy: 1.2510393396844575
Energy: 1.279790550140299
Energy: 1.2420599456419692
Energy: 1.2728609475273356
Energy: 1.294871045183703
Energy: 1.2450980414695416
Energy: 1.2935546461218395
Energy: 1.2522854488338189
Energy: 1.259804024219821
Energy: 1.2508842519614458
Energy: 1.265755883596229
Energy: 1.2618243514588252
Energy: 1.2443998559977834
Energy: 1.2676540848410731
Energy: 1.2743338810093041
Energy: 1.2420978906361626
Energy: 1.2615382885063064
Energy: 1.2554797729269274
Energy: 1.237885509009261
Energy: 1.264334820221749
Energy: 1.2641771940782756
Energy: 1.2675876680541482
Energy: 1.2434159828240121
Energy: 1.2733359224452994
Energy: 1.2657732894736218
Energy: 1.2318597911375773
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Energy: 1.2846299483042454
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Energy: 1.2687132228148656
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Energy: 1.3084511557752116
Energy: 1.2863075191838609
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Energy: 1.2555287859435071
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Energy: 1.2945009995270949
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Energy: 1.249129150480554
Energy: 1.2724444626154454
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Energy: 1.228766471353647
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Energy: 1.313749084118354
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Energy: 1.276630005444588
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Energy: 1.2029812957608583
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Energy: 1.2182976510449457
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Energy: 1.2318491950583257
Energy: 1.2290662538067498
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Energy: 1.2242994323824634
Energy: 1.2405878560018788
Energy: 1.2072699281650774
Energy: 1.2898525302808803
Energy: 1.2995820732140204
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Energy: 1.3230135194777881
Energy: 1.249744943491078
Energy: 1.2537045480076565
Energy: 1.3358492684200463
Energy: 1.638235012884307
Energy: 1.3054447604511372
Energy: 1.1824746463160478
Energy: 1.2404841641545878
Energy: 1.2082795916542206
Energy: 1.1785941209613426
Energy: 1.273566064421646
Energy: 1.2716811677833406
Energy: 1.3008779079810417
Energy: 1.2101971032740664
Energy: 1.3302282460870098
Energy: 1.2698423908584444
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Energy: 1.2583580005035684
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Energy: 1.328658324082718
Energy: 1.1996225687620237
Energy: 1.2225486821614986
Energy: 1.306635839839626
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Energy: 1.3021588114787477
Energy: 1.3605304290840912
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Energy: 1.2899549763722085
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Energy: 1.2454508707493057
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Energy: 1.280100245132273
Energy: 1.2748848043265493
Energy: 1.3582451840511176
Energy: 1.2613120528496569
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Energy: 1.3842926216545666
Energy: 1.284665947792544
Energy: 1.2841273071072503
Energy: 1.3136321219836387
Energy: 1.34800547715948
Energy: 1.2905540988353694
Energy: 1.2908287844904103
Energy: 1.2392770114944853
Energy: 1.2946998354809063
Energy: 1.2905465289412232
Energy: 1.331606438107477
Energy: 1.2247789490833378
Energy: 1.2810780064255733
Energy: 1.238887331819631
Energy: 1.261524463317504
Energy: 1.2302640294512364
Energy: 1.2684210753466598
Energy: 1.2756041286623245
Energy: 1.1725727364052068
Energy: 1.2014818316386713
Energy: 1.2327015231322296
Energy: 1.22080766992212
Energy: 1.201343472830905
Energy: 1.2481456589433275
Energy: 1.2187457790765543
Energy: 1.191469718918439
Energy: 1.205570760172269
Energy: 1.2271350410778892
Energy: 1.2035182733812824
Energy: 1.2001636246908403
Energy: 1.2256451534298087
Energy: 1.2188461293442827
Energy: 1.3232194347725508
Energy: 1.281114516665224
Energy: 1.2855333047132778
Energy: 1.2912282435961318
Energy: 1.2758433940890326
Energy: 1.269281038933192
Energy: 1.2767372160394805
Energy: 1.2183196520080255
Energy: 1.2608986892130964
Energy: 1.2727584672186065
Energy: 1.2239691378353972
Energy: 1.2666294646653555
Energy: 1.2643619020555876
Energy: 1.2283639052693447
Energy: 1.2307094732013784
Energy: 1.2696734804719847
Energy: 1.2725556216978595
Energy: 1.26372959484059
Energy: 1.3128559851768817
Energy: 1.2706855536217978
Energy: 1.2696696131812701
Energy: 1.3056735366066365
Energy: 1.2854340872517291
Energy: 1.3284684228166959
Energy: 1.2933722677183193
Energy: 1.293504409842996
Energy: 1.3255588145712218
Energy: 1.2898480347368577
Energy: 1.2611392928437248
Energy: 1.2718183105223468
Energy: 1.243653177967844
Energy: 1.261012632444908
Energy: 1.261229245398369
Energy: 1.2341117906060186
Energy: 1.3076111927338194

minimum gb energy = 1.153147483826692 eV
minimum distance =  2.23187051816244 Angstroms
sigma value = 401


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

Energy: 1.898631213728549
Energy: 2.019265176917562
Energy: 1.9454935829883735
Energy: 1.531823875801711
Energy: 1.53215147981529
Energy: 1.6741061741509518
Energy: 1.5753576598372254
Energy: 1.2178008909496967
Energy: 1.1848885801428026
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Energy: 1.2111231506011326
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Energy: 1.2533702560893987
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Energy: 1.3037451863390743
Energy: 1.29312166691799
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Energy: 1.3069747717572557
Energy: 1.2637018201406995
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Energy: 1.2915700014878693
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Energy: 1.1802823123478223
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Energy: 1.1832518218181116
Energy: 1.172002634641552
Energy: 1.2217426282817851
Energy: 1.2115236289450482
Energy: 1.2743186821215091
Energy: 1.1864365639308738
Energy: 1.305334168601792
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Energy: 1.2246825535836856
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Energy: 1.2558401146363902
Energy: 1.2442090174289195
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Energy: 1.307376786648122
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Energy: 1.3036711158926082
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Energy: 1.3015621057644813
Energy: 1.3090170927005433
Energy: 1.2769401302250327
Energy: 1.3252177232353686
Energy: 1.1964767341050633
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Energy: 1.2927054572501826
Energy: 1.2924609151632296
Energy: 1.3006585372091453
Energy: 1.286852344012292
Energy: 1.2432285243288685
Energy: 1.2365172446481154
Energy: 1.3294050757043303
Energy: 1.2878488830883263
Energy: 1.2148581579180608
Energy: 1.321593225390584
Energy: 1.318710124674207
Energy: 1.2792796301525755
Energy: 1.2557796818744327
Energy: 1.3061090892789606
Energy: 1.3097199493303084
Energy: 1.254390116593956
Energy: 1.3074990228284573
Energy: 1.2319323232258788
Energy: 1.185088494812521
Energy: 1.2578607641990105
Energy: 1.236470414141432
Energy: 1.2196028922442153
Energy: 1.2159760259328263
Energy: 1.2387981592645556
Energy: 1.3176537434914786
Energy: 1.5566498123423382
Energy: 1.5751020976024637
Energy: 1.4091063331329743
Energy: 1.1944577738555007
Energy: 1.5738423572051525
Energy: 1.38049188509495
Energy: 1.2183614969230834
Energy: 1.1854003031729643
Energy: 1.2149234226566217
Energy: 1.2468992020498764
Energy: 1.2097372192703049
Energy: 1.2146751571183105
Energy: 1.2509397022119793
Energy: 1.3213401140887713
Energy: 1.257384679949798
Energy: 1.2580683187074213
Energy: 1.3068740969490678
Energy: 1.3398346117888442
Energy: 1.2538641162560522
Energy: 1.3078561773452941
Energy: 1.3188188715933757
Energy: 1.253019736851611
Energy: 1.2592057669737808
Energy: 1.4039422860713495
Energy: 1.3077051983211965
Energy: 1.258746954015447
Energy: 1.3460981622466122
Energy: 1.3963013131752926
Energy: 1.2759589163971343
Energy: 1.2547121169797164
Energy: 1.30680480748961
Energy: 1.1867176844605516
Energy: 1.25714463046376
Energy: 1.3954287213767014
Energy: 1.1988799536657773
Energy: 1.1853174394376385
Energy: 1.2184989339179981
Energy: 1.2290079236240947
Energy: 1.2089916258929598
Energy: 1.2152006403316806
Energy: 1.2277891237389036
Energy: 1.2162120150662568
Energy: 1.187831332622119
Energy: 1.2304378181065805
Energy: 1.2267488758320784
Energy: 1.2054603374572803
Energy: 1.2081491462785063
Energy: 1.21621525819457
Energy: 1.1888424180705899
Energy: 1.1807279888359645
Energy: 1.2661701585856315
Energy: 1.2131679208507804
Energy: 1.1822696996940325
Energy: 1.236999539927397
Energy: 1.214181299335938
Energy: 1.2452478544043726
Energy: 1.1862973119192395
Energy: 1.303985513711839
Energy: 1.2547561340898103
Energy: 1.175310694557377
Energy: 1.3080229541953772
Energy: 1.2542915944113417
Energy: 1.2498597186466538
Energy: 1.216504336440838
Energy: 1.3347713698305534
Energy: 1.219357217520402
Energy: 1.3075520777916776
Energy: 1.3540348198077432
Energy: 1.2593235462410204
Energy: 1.2656495581325438
Energy: 1.1866105400202869
Energy: 1.3059614805881574
Energy: 1.25546377467158
Energy: 1.251923112730381
Energy: 1.297991462329984
Energy: 1.2579438655744941
Energy: 1.1880308128198844
Energy: 1.1808864961109002
Energy: 1.2385646679860332
Energy: 1.1722084954648964
Energy: 1.1944373538616497
Energy: 1.2325055463954477
Energy: 1.2140757290713713

minimum gb energy = 1.171317542207263 eV
minimum distance =  2.2522851652987 Angstroms
sigma value = 311


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

Energy: 1.5166868671075486
Energy: 1.8388284230312302
Energy: 1.4232611964769775
Energy: 1.4142728974248462
Energy: 1.4532700401130692
Energy: 1.4414448582625576
Energy: 1.3903270954038143
Energy: 1.254400250813289
Energy: 1.2140193978683638
Energy: 1.2284692937656607
Energy: 1.2108123448202435
Energy: 1.2853642941381627
Energy: 1.2979676706866385
Energy: 1.2677290589261998
Energy: 1.2816031093653566
Energy: 1.2135238360832976
Energy: 1.236072975512048
Energy: 1.256793354585401
Energy: 1.2214387270444462
Energy: 1.2298957416868357
Energy: 1.2146307952348814
Energy: 1.2598879405778542
Energy: 1.2621154309896725
Energy: 1.2362388057436542
Energy: 1.2755002930665194
Energy: 1.2809523376917358
Energy: 1.2744814284100558
Energy: 1.2603196706818058
Energy: 1.2360484334861057
Energy: 1.2480904171979943
Energy: 1.266985826332127
Energy: 1.2842150155210739
Energy: 1.3049478560732428
Energy: 1.2938654928571873
Energy: 1.28043804813203
Energy: 1.3212325472667774
Energy: 1.3443178055444016
Energy: 1.3427759171981573
Energy: 1.3101937583125787
Energy: 1.348735962510223
Energy: 1.3368390446484317
Energy: 1.3146716330124597
Energy: 1.299689043463677
Energy: 1.3464347532825893
Energy: 1.3378213310958103
Energy: 1.311575646274871
Energy: 1.3355421691715685
Energy: 1.3364705938847692
Energy: 1.302519689948927
Energy: 1.2476028301978181
Energy: 1.235721357095334
Energy: 1.3161194977562427
Energy: 1.2826707593758007
Energy: 1.304697873512733
Energy: 1.3043981730762297
Energy: 1.2903653123175154
Energy: 1.3007499641791471
Energy: 1.2396450718672691
Energy: 1.3149015276145204
Energy: 1.2763232708809134
Energy: 1.285686925652788
Energy: 1.3202435256054226
Energy: 1.3185826857530483
Energy: 1.3202321660217111
Energy: 1.3479920448181821
Energy: 1.3721348637038175
Energy: 1.343422952021828
Energy: 1.3783699283976136
Energy: 1.3547027644331133
Energy: 1.3544335503976874
Energy: 1.2521990316579052
Energy: 1.2377015419580328
Energy: 1.2505999711934872
Energy: 1.225250320216271
Energy: 1.2277761787703831
Energy: 1.213750499989614
Energy: 1.246316989508952
Energy: 1.3091402747978735
Energy: 1.3350206606271355
Energy: 1.3607270707799215
Energy: 1.3015053257576794
Energy: 1.3412142441895096
Energy: 1.3987880121563447
Energy: 1.3258337346180338
Energy: 1.3055825035272959
Energy: 1.3671061151027322
Energy: 1.405627123245678
Energy: 1.3572094013046585
Energy: 1.3564557728206759
Energy: 1.401852417298043
Energy: 1.3421077017628726
Energy: 1.2150797376040179
Energy: 1.2417492725922774
Energy: 1.2289565334273251
Energy: 1.2184348067875441
Energy: 1.2275016954286915
Energy: 1.2188551242950059
Energy: 1.221611963803708
Energy: 1.2255947832119773
Energy: 1.2549300591092647
Energy: 1.2096512357209197
Energy: 1.2903323031043137
Energy: 1.289916782074756
Energy: 1.257474552780619
Energy: 1.3341024928471632
Energy: 1.2653593806838574
Energy: 1.2307670726900601
Energy: 1.2699120278518072
Energy: 1.270406559012601
Energy: 1.2839236769184317
Energy: 1.2788523751513567
Energy: 1.3187257830305474
Energy: 1.2517326766870043
Energy: 1.2439960622859092
Energy: 1.2329377606730445
Energy: 1.2486403038976082
Energy: 1.2528930840171861
Energy: 1.2255216901461017
Energy: 1.2449780740956569
Energy: 1.3190949214855576
Energy: 1.3366370761784705
Energy: 1.3097168064103726
Energy: 1.3291354019587
Energy: 1.337162600362877
Energy: 1.3154522061003828
Energy: 1.3249142088238484
Energy: 1.3179121142719437
Energy: 1.3128302015346773
Energy: 1.3116245890372507
Energy: 1.3176159843305142
Energy: 1.329332145461346
Energy: 1.3056779593292325
Energy: 1.283791855192673
Energy: 1.2641758568621442
Energy: 1.2514404639727839
Energy: 1.21323091681771
Energy: 1.2350442565534234
Energy: 1.2136709732936743
Energy: 1.2225222410923986
Energy: 1.2578553899217706
Energy: 1.3522968772990316
Energy: 1.351682648578639
Energy: 1.3222706692072232
Energy: 1.3899608277267899
Energy: 1.372505513637259
Energy: 1.332377108746063
Energy: 1.3110831886209056
Energy: 1.3309760076522021
Energy: 1.326376069883169
Energy: 1.2934035308387903
Energy: 1.2652743752382605
Energy: 1.3261405652569946
Energy: 1.2968661291457702
Energy: 1.2623712933318763
Energy: 1.2633524763558668
Energy: 1.250434197929298
Energy: 1.3092299955978155
Energy: 1.2959776492041553
Energy: 1.2876648264392383
Energy: 1.2848883070876838
Energy: 1.2993097745815732
Energy: 1.3695985705417566
Energy: 1.3734505867855848
Energy: 1.307382101731158
Energy: 1.353826789382859
Energy: 1.4059052563107786
Energy: 1.3501870092001882
Energy: 1.326223788104912
Energy: 1.372369961532891
Energy: 1.372378524798426
Energy: 1.3563865384415588
Energy: 1.3570588203621308
Energy: 1.4041212351815309
Energy: 1.3566850458942419
Energy: 1.3358625110576485
Energy: 1.2297482205841883
Energy: 1.2126055506355595
Energy: 1.2123451690331424
Energy: 1.2252218137863577
Energy: 1.2107239405346606
Energy: 1.2134755732883575
Energy: 1.223580620477223
Energy: 1.252931889816869
Energy: 1.2743317528606661
Energy: 1.2946588549525864
Energy: 1.2805386605350653
Energy: 1.2968662488140046
Energy: 1.3010016935628208
Energy: 1.315473251893599
Energy: 1.2454808852597177
Energy: 1.2730679166273404
Energy: 1.295128477139136
Energy: 1.2365196545192847
Energy: 1.2609049825384417
Energy: 1.3004618639907828
Energy: 1.2969298406365162
Energy: 1.2504135847069047
Energy: 1.2312791012685655
Energy: 1.2484770667362652
Energy: 1.3110793542829313
Energy: 1.2820253086890583
Energy: 1.308215796944315
Energy: 1.3103970065814026
Energy: 1.2949359495786623
Energy: 1.3314611015416533
Energy: 1.3568990758938084
Energy: 1.3447361796415271
Energy: 1.300978430199489
Energy: 1.3145033639980137
Energy: 1.3331468090119862
Energy: 1.2988982327562395
Energy: 1.2848303371542529
Energy: 1.3262505245977139
Energy: 1.3241370212693861
Energy: 1.3018475093282085
Energy: 1.3062879309170239
Energy: 1.3008237374451515
Energy: 1.3135216430598506
Energy: 1.2140506417366663
Energy: 1.240386657260395
Energy: 1.2600916775284126
Energy: 1.2251821219586319
Energy: 1.2455757254414133
Energy: 1.2554824520459889
Energy: 1.3558814535965285
Energy: 1.398565166973074
Energy: 1.3984586428284338
Energy: 1.3580034515561998
Energy: 1.3070667676191543
Energy: 1.3028162321013559
Energy: 1.3675498393174503
Energy: 1.3790187177326325
Energy: 1.2199988821124361
Energy: 1.2415903107693906
Energy: 1.2830582697629396
Energy: 1.2200522769702622
Energy: 1.2268413639560083
Energy: 1.3129591194778325
Energy: 1.2322632461175453
Energy: 1.2889571095056063
Energy: 1.3079995290506212
Energy: 1.2905635362178243
Energy: 1.280514795251364
Energy: 1.301225605075125
Energy: 1.3145182991684492
Energy: 1.366064984309975
Energy: 1.3039307530728534
Energy: 1.3457911625265206
Energy: 1.3962306078824216
Energy: 1.345282912951576
Energy: 1.3456948452769335
Energy: 1.4009191573987727

minimum gb energy = 1.2096512357209197 eV
minimum distance =  2.24831657139742 Angstroms
sigma value = 39


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

Energy: 1.4403882122959308
Energy: 1.39280386483426
Energy: 1.5486592630628468
Energy: 1.444400669470079
Energy: 1.4448650599978168
Energy: 1.338241777609093
Energy: 1.441982199884886
Energy: 1.2843864066490929
Energy: 1.198356073203813
Energy: 1.1927188129492314
Energy: 1.2670366075206991
Energy: 1.1978031380515899
Energy: 1.192773712161229
Energy: 1.2683369702961538
Energy: 1.2677273596252292
Energy: 1.1594513717551638
Energy: 1.205782699642356
Energy: 1.267799160113551
Energy: 1.19259225564503
Energy: 1.189613736974846
Energy: 1.2824411863977678
Energy: 1.2876329955033827
Energy: 1.1867925924449945
Energy: 1.2916242659824333
Energy: 1.2646609729721967
Energy: 1.249855682095705
Energy: 1.146043797530854
Energy: 1.3604418304507642
Energy: 1.3783904166547227
Energy: 1.1588775188280167
Energy: 1.2081793819209499
Energy: 1.267702491419076
Energy: 1.2119283796971105
Energy: 1.1975738260140787
Energy: 1.2078100046989737
Energy: 1.22265894880668
Energy: 1.2028337293840499
Energy: 1.183687768624401
Energy: 1.2330488858957802
Energy: 1.2049298383393912
Energy: 1.1834764087855614
Energy: 1.2338800017332399
Energy: 1.1939721155023457
Energy: 1.2060544391247505
Energy: 1.197607627613836
Energy: 1.2318409638257384
Energy: 1.2159064863448534
Energy: 1.2133573176253216
Energy: 1.2333040850962786
Energy: 1.206445809378557
Energy: 1.1955952772565963
Energy: 1.2038334528348988
Energy: 1.233881053259776
Energy: 1.2026918865101357
Energy: 1.2028571708293065
Energy: 1.2348096914353972
Energy: 1.206292173046182
Energy: 1.2820407118766504
Energy: 1.2129385725345467
Energy: 1.2687892075247382
Energy: 1.2095287817153468
Energy: 1.3718118102501382
Energy: 1.2678519359587725
Energy: 1.2884295310995229
Energy: 1.245223781488702
Energy: 1.3361262217399568
Energy: 1.2740446809261354
Energy: 1.2976030627696853
Energy: 1.3573461064799017
Energy: 1.288402276357276
Energy: 1.2041828531117795
Energy: 1.1911335043753204
Energy: 1.1927835913584772
Energy: 1.2673774747075328
Energy: 1.1990465060079432
Energy: 1.19199372696364
Energy: 1.280552216809395
Energy: 1.3590660936033219
Energy: 1.1897143234207388
Energy: 1.204803178722207
Energy: 1.268763632489905
Energy: 1.1920296892705362
Energy: 1.1978800450182596
Energy: 1.2680629349669346
Energy: 1.2898159121099035
Energy: 1.2313789675959463
Energy: 1.4432047905581329
Energy: 1.4731951062408648
Energy: 1.231703722648263
Energy: 1.1521923717333267
Energy: 1.4702616857336719
Energy: 1.2672061087009523
Energy: 1.1931976399090345
Energy: 1.2045327038836995
Energy: 1.2676724348527835
Energy: 1.1919101620955326
Energy: 1.1901890347546518
Energy: 1.268235541721695
Energy: 1.2472227228716468
Energy: 1.1976342003304963
Energy: 1.3365576785159106
Energy: 1.2673056893453276
Energy: 1.2044732141060701
Energy: 1.3347197088064158
Energy: 1.2682617070747648
Energy: 1.442257696386882
Energy: 1.2978742693673457
Energy: 1.1928872886614403
Energy: 1.4446382139879135
Energy: 1.4482063894661894
Energy: 1.4354048486991127
Energy: 1.4442097220740864
Energy: 1.283714446322909
Energy: 1.1983151602783715
Energy: 1.192726063143671
Energy: 1.2671545250620697
Energy: 1.1976951381864664
Energy: 1.1927248736315648
Energy: 1.2682400449609803
Energy: 1.2801128461159503
Energy: 1.1602711241252022
Energy: 1.2057978531547213
Energy: 1.2678619407863083
Energy: 1.1923642271224488
Energy: 1.1897044508956247
Energy: 1.2838228306437978
Energy: 1.2822539324269522
Energy: 1.1869030152192388
Energy: 1.288170266915466
Energy: 1.2648183749762083
Energy: 1.2501435812135886
Energy: 1.145850597296586
Energy: 1.3613834624975432
Energy: 1.3790190296582503
Energy: 1.1588020713580058
Energy: 1.207471037825311
Energy: 1.2681163768640527
Energy: 1.2120628469350418
Energy: 1.1981570089055609
Energy: 1.207338761662687
Energy: 1.2222400958423287
Energy: 1.20459190888578
Energy: 1.183808442528833
Energy: 1.233288362205563
Energy: 1.2048220196860207
Energy: 1.1833509141836218
Energy: 1.2337631970453828
Energy: 1.1951292364928452
Energy: 1.205910108519919
Energy: 1.1978081291891922
Energy: 1.2360154549566036
Energy: 1.2168265398918803
Energy: 1.2133801340289214
Energy: 1.2484980040979312
Energy: 1.2070851220188268
Energy: 1.196572116166942
Energy: 1.2036188180010894
Energy: 1.2350055496268708
Energy: 1.2024218009685537
Energy: 1.2029231353680858
Energy: 1.2344906504230957
Energy: 1.207593411320249
Energy: 1.2466853673879255
Energy: 1.2129063738653658
Energy: 1.2685455042470082
Energy: 1.300207400639503
Energy: 1.3713004042666717
Energy: 1.2684184789011053
Energy: 1.3025487201309998
Energy: 1.2447506881359152
Energy: 1.336226451406571
Energy: 1.2743391809668358
Energy: 1.2973262601192763
Energy: 1.3606021584543475
Energy: 1.2886300382809444
Energy: 1.2057870879108343
Energy: 1.1912316265912086
Energy: 1.1927957655648707
Energy: 1.2668049289605656
Energy: 1.1991213785898929
Energy: 1.191474871821855
Energy: 1.2809208918285278
Energy: 1.3587790214399005
Energy: 1.195023442039833
Energy: 1.2151006219548337
Energy: 1.2684676159868526
Energy: 1.1925073563761375
Energy: 1.1975679637619008
Energy: 1.3824364216441896
Energy: 1.2899795298676344
Energy: 1.2314209676318106
Energy: 1.4487381673181499
Energy: 1.3798757949964964
Energy: 1.2317962458533076
Energy: 1.155258455616057
Energy: 1.470640284410364
Energy: 1.2668955251518723
Energy: 1.1931915109229787
Energy: 1.2045764039702607
Energy: 1.2679474653773366
Energy: 1.1917146315388862
Energy: 1.1906592784511274
Energy: 1.2684695038529714
Energy: 1.247343271101079
Energy: 1.197527176585716
Energy: 1.338032247846582
Energy: 1.2680046298003356
Energy: 1.2110948661948187
Energy: 1.3346712096839093
Energy: 1.2682994153815597

minimum gb energy = 1.145850597296586 eV
minimum distance =  2.24097616064382 Angstroms
sigma value = 21


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

Energy: 1.6677934745012712
Energy: 1.111039582370076
Energy: 1.124510802252344
Energy: 1.2740167659257415
Energy: 1.1960036563330902
Energy: 1.2065252357895875
Energy: 1.1959343493328094
Energy: 1.2700387746289803
Energy: 1.2103537467989696
Energy: 1.1891250590017943
Energy: 1.2612172138129427
Energy: 1.2300752793683205
Energy: 1.189950098011726
Energy: 1.2256146363407414
Energy: 1.2198822250587715
Energy: 1.165615565583699
Energy: 1.1657812779974968
Energy: 1.2063748905760792
Energy: 1.2144024342569288
Energy: 1.1657444414449085
Energy: 1.2300843441584066
Energy: 1.257167644475962
Energy: 1.1965379149010769
Energy: 1.1107758234327316
Energy: 1.2314178944392713
Energy: 1.2186791222717521
Energy: 1.111273639266252
Energy: 1.2501653443330374
Energy: 1.1439290819571293
Energy: 1.1398543598003306
Energy: 1.1662581612435188
Energy: 1.1523501334900297
Energy: 1.1478019058654645
Energy: 1.1103687664550421
Energy: 1.1751632443012836
Energy: 1.1216840689444163
Energy: 1.169883849578894
Energy: 1.1730640713961173
Energy: 1.1369352745257788
Energy: 1.1698710539177604
Energy: 1.13673170585046
Energy: 1.1666371246227416
Energy: 1.1175900052491479
Energy: 1.131854872750757
Energy: 1.098047330754476
Energy: 1.1743075593495744
Energy: 1.1318342963506434
Energy: 1.1751551299126457
Energy: 1.13284494123347
Energy: 1.111545875148569
Energy: 1.132038358986217
Energy: 1.1743997769082066
Energy: 1.1371410431053288
Energy: 1.1316703857384516
Energy: 1.1845199772279351
Energy: 1.1440586323072133
Energy: 1.0676454788915721
Energy: 1.0932907264743754
Energy: 1.1623287855164262
Energy: 1.1086669060904064
Energy: 1.0818410196574253
Energy: 1.1785401769131618
Energy: 1.108082405480742
Energy: 1.0883687764621828
Energy: 1.0818440765865733
Energy: 1.1658085413660122
Energy: 1.1216877809643768
Energy: 1.0785959683166102
Energy: 1.162595254070734
Energy: 1.1097077012316592
Energy: 1.1178340357317855
Energy: 1.1151540931413817
Energy: 1.160945990636924
Energy: 1.1399476856656792
Energy: 1.1161673015292999
Energy: 1.1562934684780788
Energy: 1.1265004609469131
Energy: 1.1309498051808993
Energy: 1.1628867444658608
Energy: 1.1460321663591795
Energy: 1.125466309993768
Energy: 1.1543452576796427
Energy: 1.1373299301083102
Energy: 1.1357209580020518
Energy: 1.1087516331882754
Energy: 1.1680539342268221
Energy: 1.079078784516185
Energy: 1.099435048117953
Energy: 1.1648604722690712
Energy: 1.0851047495145745
Energy: 1.108309699756605
Energy: 1.1311906977881214
Energy: 1.1765591062969833
Energy: 1.068771981925423
Energy: 1.1127347629410966
Energy: 1.1440022347497503
Energy: 1.0682391175026253
Energy: 1.0978602779191526
Energy: 1.1327187626846968
Energy: 1.170861377111579
Energy: 1.10965462703212
Energy: 1.107867027841744
Energy: 1.1590300605909198
Energy: 1.132109577342305
Energy: 1.1371027613020253
Energy: 1.3201467616354186
Energy: 1.1734078568117243
Energy: 1.13208716936942
Energy: 1.1637099792032373
Energy: 1.1553750224187416
Energy: 1.1319993138308868
Energy: 1.1566794867485644
Energy: 1.1635873801787942
Energy: 1.1522549196096954
Energy: 1.1110556487013552
Energy: 1.1544506753019534
Energy: 1.1898743922086061
Energy: 1.1323441640428282
Energy: 1.1706472984285832
Energy: 1.193793444466689
Energy: 1.1649832293834859
Energy: 1.1487193486594933
Energy: 1.1701450351297558
Energy: 1.1661524109746442
Energy: 1.1488524869897523
Energy: 1.1526989792630882
Energy: 1.1651493299608284
Energy: 1.1112327460126055
Energy: 1.2135131121346117
Energy: 1.188802950109592
Energy: 1.1104735036916131
Energy: 1.1346093226559175
Energy: 1.2119231562122872
Energy: 1.1893923744845836
Energy: 1.1651925605584115
Energy: 1.2262202181093838
Energy: 1.2397534772704255
Energy: 1.1647192989163455
Energy: 1.168823937436686
Energy: 1.2404402677694135
Energy: 1.1923091968087325
Energy: 1.1968119861008084
Energy: 1.2083715547834772
Energy: 1.243882489332425
Energy: 1.1906534965238542
Energy: 1.1814082481083874
Energy: 1.2448806094934894
Energy: 1.263248926346447
Energy: 1.171491925171186
Energy: 1.2339808128897567
Energy: 1.241379116940735
Energy: 1.1834570783266682
Energy: 1.1877379814104239
Energy: 1.2616874585042162
Energy: 1.2540244930028643
Energy: 1.21586795920964
Energy: 1.2582082841264615
Energy: 1.2413206915548696
Energy: 1.2104541628638097
Energy: 1.1107382496549523
Energy: 1.2619206775008034
Energy: 1.2579823657705194
Energy: 1.1937668498238923
Energy: 1.209604373025145
Energy: 1.2429045036615227
Energy: 1.2115717391764271
Energy: 1.189679959937066
Energy: 1.2447727643339404
Energy: 1.2693741323357488
Energy: 1.2096834705868533
Energy: 1.2352137258190423
Energy: 1.2382700000859868
Energy: 1.2582706061908178
Energy: 1.1906893849609683
Energy: 1.2255318649324323

minimum gb energy = 1.0676454788915721 eV
minimum distance =  2.23797429784101 Angstroms
sigma value = 113


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

Energy: 1.662990599591768
Energy: 1.0487107239217308
Energy: 1.068639215918892
Energy: 1.1813392763135657
Energy: 1.1813787457315457
Energy: 1.1086944768731823
Energy: 0.9888364639333593
Energy: 1.1132693538116611
Energy: 1.0507701442348854
Energy: 1.0715817190724728
Energy: 1.0676526511041495
Energy: 1.0577750636595304
Energy: 1.0627351424073772
Energy: 1.0595368808726577
Energy: 1.097554384036124
Energy: 1.0235758158773753
Energy: 1.0721929567421447
Energy: 1.0566361110640232
Energy: 1.036345250657528
Energy: 1.0576744532941265
Energy: 1.0761273983081008
Energy: 1.0057941772280383
Energy: 1.0187349607091667
Energy: 1.0171693755639306
Energy: 0.9984647451315452
Energy: 0.9924743099357535
Energy: 1.0171084510867368
Energy: 1.0715755275571544
Energy: 0.9550018589964749
Energy: 1.006758691358131
Energy: 1.0612335441875793
Energy: 1.0270636163628792
Energy: 1.0012749261344565
Energy: 1.019152302756119
Energy: 1.0336332070936096
Energy: 1.015279952313277
Energy: 1.0047684855635663
Energy: 1.036316646194736
Energy: 1.0267827200278035
Energy: 1.000072490749278
Energy: 1.0281386826470271
Energy: 1.038342634023388
Energy: 1.0184912279450709
Energy: 1.1210786870742588
Energy: 1.004304431941393
Energy: 1.0100242343381496
Energy: 1.0009471346400347
Energy: 1.0163902780607752
Energy: 1.0187464871138994
Energy: 1.0190208699313563
Energy: 1.1385918273753022
Energy: 1.0333302138066867
Energy: 0.9954810154497123
Energy: 1.0227985935720565
Energy: 1.0210488111882483
Energy: 1.0028921642352424
Energy: 0.9957703280575676
Energy: 0.9857175166259402
Energy: 1.0048515381180703
Energy: 0.9807518607173292
Energy: 0.9883596352505237
Energy: 1.0028806154064747
Energy: 0.9810489264640577
Energy: 0.9590986361834111
Energy: 0.979786243451986
Energy: 0.9718787395151599
Energy: 0.9764086340448193
Energy: 0.9826274078981454
Energy: 1.0152362775625952
Energy: 0.9790482453919334
Energy: 0.9840381130356524
Energy: 1.0167111058928362
Energy: 1.0211444947627755
Energy: 0.9828267845360736
Energy: 0.9825098491608796
Energy: 1.0254887336228726
Energy: 0.9628835599860179
Energy: 0.9894408921059757
Energy: 0.9801181052497898
Energy: 0.9662042014133417
Energy: 0.9653888240749753
Energy: 0.9872949871733384
Energy: 0.9652912037784396
Energy: 0.9659845894969032
Energy: 0.9770926265030219
Energy: 0.9978861065330613
Energy: 0.9370203989877018
Energy: 0.9595835916180204
Energy: 1.0097251813782326
Energy: 0.9401369523471682
Energy: 0.9584285553529229
Energy: 0.9776269710082562
Energy: 0.9536517582985913
Energy: 0.9372606429516183
Energy: 0.9590326220103965
Energy: 1.0064852027295916
Energy: 0.9275053837321076
Energy: 0.9605764027805396
Energy: 0.991520940036623
Energy: 0.9572209191579374
Energy: 0.9465461188932808
Energy: 0.9586997466130717
Energy: 0.9458268735371772
Energy: 0.9506956049525651
Energy: 0.9601973349611461
Energy: 0.9305701891090004
Energy: 0.9340719351130182
Energy: 0.9507322440093324
Energy: 0.9598210815605773
Energy: 0.9433227419130221
Energy: 0.9777003547492016
Energy: 0.9622828323465049
Energy: 0.934306428149063
Energy: 0.9410177774518168
Energy: 0.9510000709253746
Energy: 0.9573594134021527
Energy: 0.9419346872846853
Energy: 0.9537203029032743
Energy: 0.9519219741786941
Energy: 0.9702511025522015
Energy: 0.9487155925955926
Energy: 0.9759169824939611
Energy: 0.9609889763821331
Energy: 0.944224996177576
Energy: 0.9629564302982938
Energy: 0.9706241746356482
Energy: 0.9998695803860711
Energy: 0.9551384004464333
Energy: 0.9644646428402366
Energy: 0.9539057034391379
Energy: 0.9418270892391933
Energy: 0.9634599736067443
Energy: 0.9545681832491134
Energy: 0.9217168720258897
Energy: 0.9180512063099525
Energy: 0.9740448130758063
Energy: 0.9363754761519112
Energy: 0.9121499744688997
Energy: 0.9714544589056708
Energy: 0.9340045989923554
Energy: 0.949665780319865
Energy: 0.9553678148839723
Energy: 0.9624104384598922
Energy: 0.9435273011938247
Energy: 0.9611794431533708
Energy: 0.9596594408347241
Energy: 0.9454877541130359
Energy: 0.9620705822571194
Energy: 0.9646162257622775
Energy: 0.9641549695931625
Energy: 0.9442206981269919
Energy: 0.9607625118691134
Energy: 0.9628410165809989
Energy: 0.9460970615865836
Energy: 0.950930943337262
Energy: 0.9670720925029582
Energy: 0.9087343056418118
Energy: 0.9370664155250426
Energy: 0.9697877500136345
Energy: 0.9125059166633439
Energy: 0.9329058102253122
Energy: 0.9705905736825966
Energy: 0.9962474608580548
Energy: 0.951371092139033
Energy: 0.9538312411506097
Energy: 0.9619038514628198
Energy: 0.9425359216194397
Energy: 0.956993667649589
Energy: 0.9834676955975384
Energy: 0.95759869605462
Energy: 0.9470225820824651
Energy: 0.9643996317472159
Energy: 0.975721200950351
Energy: 0.946166900037109
Energy: 0.9568452760446606
Energy: 0.9628974394090695
Energy: 0.9428970036136846
Energy: 0.9445581273418814
Energy: 0.9529331710235902
Energy: 0.9502890473067749
Energy: 0.944447025233443
Energy: 0.9512591190621142
Energy: 0.9542561146314555
Energy: 0.9403389346993725
Energy: 0.9322543279975111
Energy: 0.9612752633219955
Energy: 0.9512232599729584
Energy: 0.9278402254824757
Energy: 0.9513144672116158
Energy: 0.9677025700982905
Energy: 0.9494609263291328
Energy: 0.9433072330500157
Energy: 0.9793769987852143
Energy: 0.9454279340975884
Energy: 0.9545350666081415
Energy: 0.9779607349400841
Energy: 0.943950407986269
Energy: 0.9409849461741062
Energy: 1.0063400560025313
Energy: 0.9582815535667895
Energy: 0.941299717985753
Energy: 1.0119384008784065
Energy: 0.9605876885754414
Energy: 0.9515273259303711
Energy: 0.9428821570609951
Energy: 1.0003837213193159
Energy: 0.9581880677920013
Energy: 0.939194854150509
Energy: 0.9978577994658907
Energy: 0.9631497382546503
Energy: 1.0012346181514682
Energy: 0.9602786002561605
Energy: 0.9825136430095986
Energy: 0.965056802237856
Energy: 0.9662513593928437
Energy: 0.9868664994052934
Energy: 0.9669495415762112
Energy: 0.9811908247477276
Energy: 1.0149880264620161
Energy: 0.9830043791525481
Energy: 0.9717698091150695
Energy: 1.0202555032107714
Energy: 0.9969747883737067
Energy: 0.9926002717814065
Energy: 0.9772624364877659
Energy: 1.0151804825169295
Energy: 0.97482983246689
Energy: 0.9943372531324185
Energy: 1.0142097643998735
Energy: 0.9810484367287439
Energy: 0.9976626542018395
Energy: 1.0043545779274041
Energy: 1.0055418321870104
Energy: 0.996188656332212
Energy: 0.9807064742104352
Energy: 1.0030293299216093
Energy: 0.9915875108578368
Energy: 0.9822392885570794
Energy: 1.0221370887693235
Energy: 1.0339505409335774
Energy: 1.0221463553211256
Energy: 1.003851291456119
Energy: 0.9973768339211487
Energy: 1.0222637256823526
Energy: 0.9845384521752455
Energy: 0.9905148644012383
Energy: 1.0171097273590357
Energy: 1.0006289499656322
Energy: 0.967350344147643
Energy: 1.0627607703406545
Energy: 1.0007359012996242
Energy: 1.0158215531910841
Energy: 1.052991668322931
Energy: 1.020380701609969
Energy: 1.0010678305195273
Energy: 1.024999807192036
Energy: 1.031501546518806
Energy: 1.0090837134832595
Energy: 1.0263892064240308
Energy: 1.1043884580105907
Energy: 1.0160097457412631
Energy: 1.023510014098921
Energy: 1.0277167273198569
Energy: 1.0155190790750177
Energy: 1.0118741011605152
Energy: 1.0624443604502667
Energy: 1.09976043648453
Energy: 1.1347136814919145
Energy: 1.1525124563285079
Energy: 1.0353088130433803
Energy: 1.016866661716603
Energy: 1.0096567794142133
Energy: 0.9772282551336944
Energy: 1.1011956664349183
Energy: 1.0587258788518326
Energy: 1.0385080228457684
Energy: 1.0955835284204802
Energy: 1.0697364554928712
Energy: 1.0231483439039677
Energy: 1.0498519112538556
Energy: 1.0551617506556406
Energy: 1.057407268547909
Energy: 1.124883085846089
Energy: 1.0536112564489808
Energy: 1.0403503899712174
Energy: 1.0449542120997966
Energy: 1.1399036351069323
Energy: 0.9936047760897774
Energy: 1.0977630252123558
Energy: 1.077346909601066
Energy: 1.0147484003080283
Energy: 0.992296652335807
Energy: 1.0780252909386172
Energy: 1.1394697188486773
Energy: 1.0986843921072142
Energy: 1.0564909765865829
Energy: 1.0721770385484168
Energy: 1.0666102151827157
Energy: 1.0734265074200742
Energy: 1.0589580543353647
Energy: 1.0548372312195347
Energy: 1.1118228265876948
Energy: 1.0576863899412225
Energy: 1.0734179181402004
Energy: 1.0628181101473901
Energy: 1.0584237452137697
Energy: 1.0549338252761318
Energy: 1.069253112749757
Energy: 1.147839535688606
Energy: 0.992480092528011
Energy: 0.992572448739594
Energy: 1.0723224350875415
Energy: 1.076829145934245
Energy: 1.0093005313558154
Energy: 0.9926236706035657

minimum gb energy = 0.9087343056418118 eV
minimum distance =  2.23582460255619 Angstroms
sigma value = 365


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

Energy: 1.2032197163178588
Energy: 1.2841119125879072
Energy: 1.2228986334573064
Energy: 1.2062267009061072
Energy: 1.2057847945255389
Energy: 1.2073799293959047
Energy: 1.22732347969277
Energy: 0.3819196589096771
Energy: 0.3679757335887128
Energy: 0.36700404292383326
Energy: 0.36683046652850954
Energy: 0.3667763091531512
Energy: 0.3669031905033179
Energy: 0.3674125649115566
Energy: 0.38230092464985277
Energy: 0.36813063424907994
Energy: 0.3674398884630797
Energy: 0.3669640120600255
Energy: 0.36726436146093083
Energy: 0.367002055174239
Energy: 0.36773145973096555
Energy: 1.1507787512586924
Energy: 1.1827127705476495
Energy: 1.1651115933836471
Energy: 1.1525537526501126
Energy: 1.1520761629950755
Energy: 1.1619442522928058
Energy: 1.1909347424090062
Energy: 1.1937552897166406
Energy: 1.1824712324099738
Energy: 1.1826544842187126
Energy: 1.182489589465088
Energy: 1.2242243009558027
Energy: 1.1831826891711774
Energy: 1.1826872948097724
Energy: 0.3831201229748422
Energy: 0.367930189285351
Energy: 0.36744789124128996
Energy: 0.36723328869344996
Energy: 0.3668765241363877
Energy: 0.3670287585287767
Energy: 0.36717340006608457
Energy: 1.1937426420053576
Energy: 1.1824919563941105
Energy: 1.1903001646960047
Energy: 1.1590578427684861
Energy: 1.1597636822617208
Energy: 1.1992427671270152
Energy: 1.1824284628176225
Energy: 1.1497239160235455
Energy: 1.1829636825202219
Energy: 1.2009911333703012
Energy: 1.1638676279294304
Energy: 1.152649101616501
Energy: 1.1607693342258845
Energy: 1.1828648535897175
Energy: 0.3826604934931614
Energy: 0.3675025697121853
Energy: 0.3671941287667611
Energy: 0.36712143467985536
Energy: 0.3672524521886508
Energy: 0.3673934089710926
Energy: 0.3678325758414898
Energy: 1.1933367958182717
Energy: 1.1829127206595385
Energy: 1.182704263954691
Energy: 1.1831553904795353
Energy: 1.1830579891820285
Energy: 1.1826197995714682
Energy: 1.1828798265930691
Energy: 1.1509890246687122
Energy: 1.1834697330531907
Energy: 1.1645688856965948
Energy: 1.1520775394607767
Energy: 1.1523198945717052
Energy: 1.1521048221847776
Energy: 1.1662306406391025
Energy: 0.38208347759614697
Energy: 0.3677399849838952
Energy: 0.3673779708324757
Energy: 0.36691653806448515
Energy: 0.3668619417361577
Energy: 0.36719571677665364
Energy: 0.3675655523533934
Energy: 0.3821139406094713
Energy: 0.36819318882943985
Energy: 0.36720758202531306
Energy: 0.3671348926723251
Energy: 0.36681710971957154
Energy: 0.36708570894046466
Energy: 0.36725078530406363
Energy: 1.1505507162174728
Energy: 1.1837688349627378
Energy: 1.1645966262188185
Energy: 1.1550778694203196
Energy: 1.1528410759176313
Energy: 1.1528942962770488
Energy: 1.165299901894466
Energy: 1.151085188314368
Energy: 1.1830989274482842
Energy: 1.1824827667538282
Energy: 0.3667056781922226
Energy: 0.36630666773230713
Energy: 0.36715183667945156
Energy: 1.1827787995383499
Energy: 0.38264005578694066
Energy: 0.36795215512257784
Energy: 0.3674445893309106
Energy: 0.3674319870062113
Energy: 0.3671498388309487
Energy: 0.36702023546098533
Energy: 0.3674753695545837
Energy: 1.150544929777632
Energy: 1.1826526410914853
Energy: 1.1648747254211027
Energy: 1.1518830752987381
Energy: 1.1520095071535277
Energy: 1.1649342732705328
Energy: 1.192267102243278
Energy: 1.1931182622094267
Energy: 1.1829337418264292
Energy: 1.1829837644594134
Energy: 1.2237344601469882
Energy: 1.2229557040135786
Energy: 1.1827199132252795
Energy: 1.1823931471530469
Energy: 0.38355922199233994
Energy: 0.3674853273318811
Energy: 0.3670532266695958
Energy: 0.36697169302022087
Energy: 0.36693975791488836
Energy: 0.3669226906111292
Energy: 0.36701255702524066
Energy: 1.193891816053822
Energy: 1.1825209310710323
Energy: 1.1829615498599493
Energy: 1.2188140739805633
Energy: 1.162280809991653
Energy: 1.200974308707596
Energy: 1.1826385631926852

minimum gb energy = 0.36630666773230713 eV
minimum distance =  2.29113974227737 Angstroms
sigma value = 23