Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
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=2.814778730273247
cohesive_energy=4.122774919192733
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=[4.6453028673205795e-20, 1.60445172482028e-19, 2.52264313199934e-19, 3.2364769095116995e-19, 3.8144941737598795e-19, 4.2795259417783796e-19, 4.65050994138108e-19, 4.947040792801799e-19, 5.1925743619623e-19, 5.4028600451748e-19, 5.586453465664859e-19, 5.7477285656433e-19, 5.889184740659159e-19, 6.0124401891127795e-19, 6.12153239612184e-19, 6.21977786731872e-19, 6.30943567175736e-19, 6.39081022299822e-19, 6.461273951361539e-19, 6.517910895373439e-19, 6.55905479133456e-19, 6.585763075823339e-19, 6.600390948491761e-19, 6.604893064833299e-19, 6.600455035557119e-19, 6.58683653416812e-19, 6.562916037022501e-19, 6.523967123049959e-19, 6.462956236827239e-19, 6.371455929259499e-19, 6.2397570099447e-19, 6.0583906149759e-19, 5.82360765102954e-19, 5.53500757394712e-19, 5.19166112128092e-19, 4.79223848642472e-19, 4.32826415498466e-19, 3.77695517522526e-19, 3.1111065879011996e-19, 2.29394843926218e-19, 1.255875767620704e-19, -1.4946241187362138e-20, -2.57242276001772e-19, -5.858278753389299e-19, -1.0446335849577058e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014835212059218412
Energy: 0.015211686361307746
Energy: 0.09094413483155775
Energy: 0.09055421490126456
Energy: 0.10643452276977361
Energy: 0.10362053700944177
Energy: 0.10312538394151739
Energy: 0.09190116250814426
Energy: 0.09107423859776645
Energy: 0.01728494494839179
Energy: 0.015196424766511797
Energy: 0.09439201750527278
Energy: 0.10292300211888653
Energy: 0.015569599061826287
Energy: 0.01604284948140075
Energy: 0.09316659459426074
Energy: 0.09324243950574305
Energy: 0.10333173692541289
Energy: 0.10493799899274278
Energy: 0.10710565509111243
Energy: 0.09243814875386255
Energy: 0.21849378090850075
Energy: 0.10323531192969249
Energy: 0.015147208865758554
Energy: 0.09024092933218217
Energy: 0.09116080404761481
Energy: 0.016586176918456166
Energy: 0.015105083916628445
Energy: 0.10696349149177532
Energy: 0.09137850891170199
Energy: 0.01625253957838264
Energy: 0.10492620136167231
Energy: 0.09423647221700343
Energy: 0.09103924509118486
Energy: 0.09210231712286125
Energy: 0.10604576015473746
Energy: 0.01584921398107689
Energy: 0.015423874438595
Energy: 0.09185832606207188
Energy: 0.015076202881299527
Energy: 0.016695757982369715
Energy: 0.09058357395757612
Energy: 0.09096158378196999
Energy: 0.01584248512025229
Energy: 0.015121451617392218
Energy: 0.22610887262031032
Energy: 0.0906758651608524
Energy: 0.09082968004718169
Energy: 0.09165995469100524
Energy: 0.015045622992577605
Energy: 0.09101855439553447
Energy: 0.09129236394174552
Energy: 0.10796572835562782
Energy: 0.015341995795119275
Energy: 0.0151291972948128
Energy: 0.09061563674470229
Energy: 0.015447754618285299
Energy: 0.01666826395469034
Energy: 0.10542828391945434
Energy: 0.09190988445886351
Energy: 0.015132501957622896
Energy: 0.10442994254834173
Energy: 0.23253089606868108
Energy: 0.10349342233674491
Energy: 0.09260527478372825
Energy: 0.2277910860315908
Energy: 0.015282214079289019
Energy: 0.016429252539720832
Energy: 0.10387897748095001
Energy: 0.09192606598169763

minimum gb energy = 0.014835212059218412 eV
minimum distance =  2.43492974404277 Angstroms
sigma value = 3


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

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Energy: 1.314437243471329
Energy: 1.2990491180349504
Energy: 1.2284726182355936
Energy: 1.29219148591332
Energy: 1.3106688512241207
Energy: 1.2810907932759628
Energy: 1.2990702774013843
Energy: 1.3006691543227868
Energy: 1.6498992245459145
Energy: 1.2406507873395303
Energy: 1.2329248214254211
Energy: 1.5278168551658273
Energy: 1.3383877808568478
Energy: 1.5261387374504967
Energy: 1.3345523043483565
Energy: 1.303827178200972
Energy: 1.2917190298047843
Energy: 1.3067032372678342
Energy: 1.2899194544609838
Energy: 1.2721874183950457
Energy: 1.227664645847953
Energy: 1.2344133690891719
Energy: 1.2921320788960877
Energy: 1.241084849704299
Energy: 1.501472950825768
Energy: 1.338866776420036
Energy: 1.2634671883464104
Energy: 1.530366021561706
Energy: 1.2627430151809784
Energy: 1.2600940710054616
Energy: 1.3354557399080305
Energy: 1.262454872563105
Energy: 1.2717349996858225
Energy: 1.1936315711876395
Energy: 1.241924555839651
Energy: 1.2847159228920124
Energy: 1.2654530380290545
Energy: 1.3376750307713876
Energy: 1.3411113155647834
Energy: 1.2194025934589223
Energy: 1.3488655019613456
Energy: 1.2401357460505862
Energy: 1.2639685060356352
Energy: 1.3309750958571729
Energy: 1.325516848455958
Energy: 1.2946183173405448
Energy: 1.2390476911261357
Energy: 1.2338713702335835
Energy: 1.2281403452921948
Energy: 1.2543378328562103
Energy: 1.2101192129208538
Energy: 1.2376907560841364
Energy: 1.3374823213145393
Energy: 1.3565337706112737
Energy: 1.3484231379301868
Energy: 1.3516713296463223
Energy: 1.2318756497149097
Energy: 1.226137242864584
Energy: 1.229637742031444
Energy: 1.2509663613594009
Energy: 1.1955897896808945
Energy: 1.1946604320640724
Energy: 1.1932846603754421
Energy: 1.2249275163302424
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Energy: 1.230412950730685
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Energy: 1.2839351471063678
Energy: 1.3054134796842911
Energy: 1.3135250668437715
Energy: 1.207133908437651
Energy: 1.2227937282789678
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Energy: 1.2209750657948895
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Energy: 1.3339554622604144
Energy: 1.1926606617843332
Energy: 1.233909949200319
Energy: 1.2523723324655471
Energy: 1.199699254001708
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Energy: 1.2066961427182594
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Energy: 1.3338077502111345
Energy: 1.3355563028059878
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Energy: 1.2299802889494618
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Energy: 1.2976026017321765
Energy: 1.2279294434189247
Energy: 1.2266824811399424
Energy: 1.2712742434877076
Energy: 1.3083605579937916
Energy: 1.283524103605271
Energy: 1.2933025240213334
Energy: 1.2997350294566854
Energy: 1.3840630185848217
Energy: 1.3213112471068125
Energy: 1.323724011020882
Energy: 1.2271369769380007
Energy: 1.2283072988664798
Energy: 1.2613509300913095
Energy: 1.3259975319913069
Energy: 1.2987678420506013
Energy: 1.291883799291639
Energy: 1.2950601525636751
Energy: 1.3000601644794354
Energy: 1.3473452976457783
Energy: 1.345214384113413
Energy: 1.5310239458540729
Energy: 1.2612552525711984
Energy: 1.5264999663761587
Energy: 1.5353264221772207
Energy: 1.3255576204047466
Energy: 1.3128453541189056
Energy: 1.3340353662951876
Energy: 1.2617736568891542
Energy: 1.2279560500626092
Energy: 1.2286295205439033
Energy: 1.2341327169951757
Energy: 1.2929997830327506
Energy: 1.3552984186051187
Energy: 1.2398653931997388
Energy: 1.228017627145888
Energy: 1.2665851724758186
Energy: 1.3467816761229328
Energy: 1.3297731718626045
Energy: 1.2636767519314622
Energy: 1.3365861873440839
Energy: 1.262589282464097
Energy: 1.2729509897649365
Energy: 1.194723402736663
Energy: 1.3218810271754018
Energy: 1.2927945367428937
Energy: 1.300822758809265
Energy: 1.2341494386782355
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Energy: 1.3231020281540444
Energy: 1.3428196819112028
Energy: 1.3468120006419577
Energy: 1.261737360520615
Energy: 1.3301921084769273
Energy: 1.344681967841637
Energy: 1.2472822176576952
Energy: 1.2319083086411262
Energy: 1.2278754114513026
Energy: 1.2277186166342855
Energy: 1.2724474018112504
Energy: 1.2128670669131103
Energy: 1.3249574918771863
Energy: 1.2290437095844047
Energy: 1.3608276030559414
Energy: 1.2324693322105802
Energy: 1.2292109533175604
Energy: 1.366630309284111
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Energy: 1.241470274436338
Energy: 1.2737251801315042
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Energy: 1.1944379460300374
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Energy: 1.225333158210312
Energy: 1.221411938961373
Energy: 1.1966358607388625
Energy: 1.255165933927046
Energy: 1.3329195540174594
Energy: 1.1923379872188329
Energy: 1.30172164848326
Energy: 1.193422113795558
Energy: 1.2059872468894475
Energy: 1.222729058869149
Energy: 1.2221766602737774
Energy: 1.2110272105263653
Energy: 1.2255339939230128
Energy: 1.2526157361147228
Energy: 1.25204462966293
Energy: 1.1934564235646163
Energy: 1.255056863867832
Energy: 1.2529060082025498
Energy: 1.2012989082692334
Energy: 1.217334354514369
Energy: 1.2202852655866447
Energy: 1.2189438269659278
Energy: 1.1967375972808416
Energy: 1.1948015448909424
Energy: 1.2443630918514448
Energy: 1.289328367590975
Energy: 1.23663663720106
Energy: 1.2466514981113799
Energy: 1.2224231043352694
Energy: 1.2203994315614468
Energy: 1.2245094772698666
Energy: 1.2226409186314424
Energy: 1.1943358689685537
Energy: 1.2054053532968243
Energy: 1.2767837114928995
Energy: 1.231098838948069
Energy: 1.2294012447340554
Energy: 1.2281922343137912
Energy: 1.3675899710439452
Energy: 1.231220756531585
Energy: 1.2185938574061672
Energy: 1.2402214810804253
Energy: 1.327620589590408
Energy: 1.3324297373749223
Energy: 1.26615443076686
Energy: 1.226926715356971
Energy: 1.2289243228581261
Energy: 1.2265433557747738
Energy: 1.297538008837793
Energy: 1.3406089900914424
Energy: 1.3283572912021082
Energy: 1.2659202293516514
Energy: 1.3203716817932662
Energy: 1.5300629907956156
Energy: 1.2385800874028214
Energy: 1.3351408729239038
Energy: 1.3415661992011048
Energy: 1.2458874912668692
Energy: 1.2819482200644632
Energy: 1.2428683770002602
Energy: 1.2384040933948712
Energy: 1.230106272941642
Energy: 1.290979484510929
Energy: 1.2306671959420439
Energy: 1.2259863066657568
Energy: 1.2653271698975457
Energy: 1.4943238664358174
Energy: 1.3617252314359947
Energy: 1.3390852503427357
Energy: 1.3350666405775382
Energy: 1.2303435462529586
Energy: 1.1793963698989267
Energy: 1.3264544421333724
Energy: 1.228269978895688
Energy: 1.2296522978449864
Energy: 1.2629939750664385
Energy: 1.307745023576247
Energy: 1.2833332825173058
Energy: 1.3455462094257316
Energy: 1.3338754605345153
Energy: 1.4305003925978435

minimum gb energy = 1.1793963698989267 eV
minimum distance =  2.23809911437153 Angstroms
sigma value = 75


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

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Energy: 1.234364510457395
Energy: 1.277684701396404
Energy: 1.1956053897920267
Energy: 1.2447480451188195
Energy: 1.2346019947010387
Energy: 1.2438253358447962
Energy: 1.273889102430629
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Energy: 1.3009017807226637
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Energy: 1.231296875537019
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Energy: 1.2827956580886355
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Energy: 1.3569126629803943
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Energy: 1.2317978916912284
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Energy: 1.3344333533894497
Energy: 1.2295198716969884
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Energy: 1.2300743035180377
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Energy: 1.2869807825996231
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Energy: 1.4155488540156813
Energy: 1.2310482914084013
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Energy: 1.276060842794649
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Energy: 1.1864945212544982
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Energy: 1.2248240483484116
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Energy: 1.2791671299537766
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Energy: 1.2117158269154975
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Energy: 1.2307336979139423
Energy: 1.20021713978777
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Energy: 1.2171541941870865
Energy: 1.2184696270534283
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Energy: 1.2018786675983368
Energy: 1.2011970765234845
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Energy: 1.2807867685133394
Energy: 1.3349719685565442
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Energy: 1.3173903930071094
Energy: 1.253944189510582
Energy: 1.2588056033399602
Energy: 1.3283786835057851
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Energy: 1.2697467797479522
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Energy: 1.3067989606973482
Energy: 1.319829767204627
Energy: 1.2392717361979835
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minimum gb energy = 1.1540642360048994 eV
minimum distance =  2.23494606645979 Angstroms
sigma value = 105


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

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Energy: 1.5149884063805097
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Energy: 1.2504297858485078
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Energy: 1.2830905951961353
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Energy: 1.3483393516202646
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Energy: 1.3357942922970365
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Energy: 1.3439000258909382
Energy: 1.3840422641436028
Energy: 1.2582141537096971
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Energy: 1.2811557376174842
Energy: 1.2704157568235264
Energy: 1.3031126343234156
Energy: 1.3007522658093855
Energy: 1.3810079233580237
Energy: 1.2775065794960403
Energy: 1.3802362611028502
Energy: 1.4372703082809846
Energy: 1.4359906180781055
Energy: 1.4369730303256143
Energy: 1.437270065839556
Energy: 1.4356266264439221
Energy: 1.2523074368967095
Energy: 1.2735056606754462
Energy: 1.2734767355943546
Energy: 1.2864049356224847
Energy: 1.272850906369664
Energy: 1.2754742271548247
Energy: 1.28063408666569
Energy: 1.2580920284539032
Energy: 1.293338409158691
Energy: 1.2805135884112984
Energy: 1.2819938240072517
Energy: 1.2702096758336177
Energy: 1.2700571133616987
Energy: 1.2709301801765118
Energy: 1.302450928957149
Energy: 1.28069818325513
Energy: 1.2783333159514307
Energy: 1.2763989269877238
Energy: 1.3220855802851548
Energy: 1.2772796622829758
Energy: 1.2810571686562842
Energy: 1.3053701014174544
Energy: 1.260548330575947
Energy: 1.2590539093950373
Energy: 1.2806954242589457
Energy: 1.281196343471448
Energy: 1.3201094618511806
Energy: 1.4338893985174557
Energy: 1.3764346609469629
Energy: 1.352456487168522
Energy: 1.306039025904096
Energy: 1.3021146326282815
Energy: 1.2980587978885783
Energy: 1.259930056066578
Energy: 1.2619442311196147
Energy: 1.3017229391982124
Energy: 1.434265350329565
Energy: 1.3337925277823512
Energy: 1.2964660250408273
Energy: 1.3119048782595197
Energy: 1.41653718461528
Energy: 1.3186411944524985
Energy: 1.2621975255271705
Energy: 1.2958089585441868
Energy: 1.2701129858261333
Energy: 1.2626948380110998
Energy: 1.332668380602063
Energy: 1.3012981420229692
Energy: 1.2504551130176382
Energy: 1.4486764859279306
Energy: 1.29567613447218
Energy: 1.2745612847054415
Energy: 1.2835534338072074
Energy: 1.5091157149485155
Energy: 1.2982905283537276

minimum gb energy = 1.2256768657585657 eV
minimum distance =  2.23379569211039 Angstroms
sigma value = 165


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

Energy: 1.370923172325136
Energy: 1.2594569685164216
Energy: 1.3182998298792583
Energy: 1.2770307946935635
Energy: 1.3912379591457547
Energy: 1.288912733069859
Energy: 1.3138953585215691
Energy: 1.2623444385558578
Energy: 1.2770311041414666
Energy: 1.2583937970776256
Energy: 1.2592764721784162
Energy: 1.3439129137563643
Energy: 1.2964245933716656
Energy: 1.268511341889272
Energy: 1.2702757428392444
Energy: 1.2765142198247015
Energy: 1.3015147196479462
Energy: 1.3039555454198108
Energy: 1.2902835248665727
Energy: 1.3388983078838814
Energy: 1.3267410344591513
Energy: 1.291750721823309
Energy: 1.3201322398237691
Energy: 1.3784245558838986
Energy: 1.339036087965656
Energy: 1.3641568269614712
Energy: 1.275403059556467
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Energy: 1.2772172598535037
Energy: 1.3658477429781437
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Energy: 1.3042366302691253
Energy: 1.3070894115410578
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Energy: 1.3556669958347038
Energy: 1.304484857689721
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Energy: 1.3117154174628216
Energy: 1.2746156265192774
Energy: 1.275097822585416
Energy: 1.2759842250563014
Energy: 1.2996275205514352
Energy: 1.2999062785217643
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Energy: 1.2869763101046414
Energy: 1.2680631162332496
Energy: 1.3530184642531549
Energy: 1.2957733526231527
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Energy: 1.3548883165513474
Energy: 1.2959711578316169
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Energy: 1.2928219212357521
Energy: 1.3042148570839878
Energy: 1.276065155726713
Energy: 1.2886109786407813
Energy: 1.3041618257564258
Energy: 1.3042884734478204
Energy: 1.329803235065259
Energy: 1.2778805280659071
Energy: 1.275542845363266
Energy: 1.3017433948290376
Energy: 1.275506190099945
Energy: 1.299681398567413
Energy: 1.274478088200936
Energy: 1.2892044275816243
Energy: 1.2760652270252069
Energy: 1.298399556831784
Energy: 1.274054696098327
Energy: 1.2944375426785797
Energy: 1.288920791305305
Energy: 1.3590087093675987
Energy: 1.3009691246144943
Energy: 1.278490452185563
Energy: 1.2595483265597915
Energy: 1.2881917458761847
Energy: 1.2784273187180306
Energy: 1.2796741859454535
Energy: 1.2546717412985438
Energy: 1.2772243572516349
Energy: 1.365074867091219
Energy: 1.3092079388192521
Energy: 1.3150828233495087
Energy: 1.2813411911074142
Energy: 1.2758519811048763
Energy: 1.2641885624295026
Energy: 1.3485386814989695
Energy: 1.2924117825812003
Energy: 1.299850811794822
Energy: 1.274044068265071
Energy: 1.277831768416062
Energy: 1.2550314463658623
Energy: 1.2562843763645364
Energy: 1.2999553060201872
Energy: 1.3433235661397218

minimum gb energy = 1.2545297888588096 eV
minimum distance =  2.22787037677697 Angstroms
sigma value = 41


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

Energy: 2.549241422721007
Energy: 1.1335517778196318
Energy: 1.2461752327044928
Energy: 1.2049422293846004
Energy: 1.2209805127351914
Energy: 1.1507551128806401
Energy: 1.206079505443891
Energy: 1.2485085133550002
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Energy: 1.1346376491266839
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Energy: 1.2630398505655953
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Energy: 1.1659501837485822
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Energy: 1.2558983262952614
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Energy: 1.2690788775063162
Energy: 1.1593512544063553
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Energy: 1.2788427541395613
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Energy: 1.2973705460915985
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Energy: 1.1588039551625815
Energy: 1.1629825657861121
Energy: 1.1999465444518056
Energy: 1.1606932748814667
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Energy: 1.2024183285958208
Energy: 1.16363664047745
Energy: 1.2194700050695506
Energy: 1.207596084298356
Energy: 1.2075623091568677
Energy: 1.2559529184445937
Energy: 1.2576306460241977
Energy: 1.1830986061681341
Energy: 1.1637037579054517
Energy: 1.1671318276544693
Energy: 1.1628839669203415
Energy: 1.1839833213070101
Energy: 1.1612191710944146
Energy: 1.2011254685392447
Energy: 1.1973566288753028
Energy: 1.2370724719824047
Energy: 1.3042224138741894
Energy: 1.3037271681101612
Energy: 1.2309421665141778
Energy: 1.1660160955434098
Energy: 1.182603496188108
Energy: 1.1666102483669651
Energy: 1.1634638934694574
Energy: 1.1738180856709186
Energy: 1.1958170541663606
Energy: 1.1680004881012116
Energy: 1.183604609663083
Energy: 1.1816985971096496
Energy: 1.1665391486258225
Energy: 1.2239257138101256
Energy: 1.2084578639848491
Energy: 1.1635609353194265
Energy: 1.2107181188019025
Energy: 1.1599986397355941
Energy: 1.1560469239007802
Energy: 1.2090193380969303
Energy: 1.145362186838737
Energy: 1.1339630401281382
Energy: 1.132633807506346
Energy: 1.162791462769266
Energy: 1.1851141622360053
Energy: 1.108462069173193
Energy: 1.2464188494761392
Energy: 1.2244433808888384
Energy: 1.2523266299147209
Energy: 1.231609559287076
Energy: 1.249242097655397
Energy: 1.2514707767012827
Energy: 1.2805083993002062
Energy: 1.2522707045706511
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Energy: 1.159456159784903
Energy: 1.1677383062697106
Energy: 1.2137223412661526
Energy: 1.2062447798936555
Energy: 1.1353947305904386
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Energy: 1.1594751973465112
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Energy: 1.2205184790745014
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Energy: 1.1579410546401692
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Energy: 1.249302661093547
Energy: 1.2486344371408904
Energy: 1.157210304934878
Energy: 1.1563142610407542
Energy: 1.1618555278609193
Energy: 1.1564209781818626
Energy: 1.2037386210623604
Energy: 1.1453242334180787
Energy: 1.1463885068316861
Energy: 1.1458352800015201
Energy: 1.2680519912110781
Energy: 1.283511923821482
Energy: 1.1999746751009177
Energy: 1.1891374470598537
Energy: 1.146430248455719
Energy: 1.1585552318416399
Energy: 1.21929911523184
Energy: 1.1741076188834405
Energy: 1.1598410978641711
Energy: 1.1806121945994514
Energy: 1.144007452821699
Energy: 1.1934501496966203
Energy: 1.1511542470435976
Energy: 1.2661999440607454
Energy: 1.1799986476259654
Energy: 1.2065933468274956
Energy: 1.2208177705135872
Energy: 1.254461893638799
Energy: 1.1598440829705585
Energy: 1.1622504389726225
Energy: 1.185112021121221
Energy: 1.2310881068899173
Energy: 1.2697358119558773
Energy: 1.1448969801509021
Energy: 1.1092484383816412
Energy: 1.1093466214666432
Energy: 1.230299722754202
Energy: 1.1999892772661955
Energy: 1.2003596352889156
Energy: 1.248588135699852
Energy: 1.2705960380521075
Energy: 1.2045607957144318
Energy: 1.1939926672675505
Energy: 1.2375587528488106
Energy: 1.1082483662374099
Energy: 1.2646187912807347
Energy: 1.2134545354689594
Energy: 1.2051876549149108
Energy: 1.2066170824393438
Energy: 1.1729192305316385
Energy: 1.148905278413219
Energy: 1.18518890470209
Energy: 1.144418620308829
Energy: 1.1871834719263745
Energy: 1.150163134834835
Energy: 1.1875226428420311
Energy: 1.1618135684219415
Energy: 1.1605802746198863
Energy: 1.1982644877410804
Energy: 1.1840078226897945
Energy: 1.235316421344895
Energy: 1.2443678736389063
Energy: 1.265022765473171
Energy: 1.1640471143404538
Energy: 1.1591067097831897
Energy: 1.1616127670216403
Energy: 1.1621155690082325
Energy: 1.1598508136355632
Energy: 1.1631479670029334
Energy: 1.1932722363828796
Energy: 1.1615262813472982
Energy: 1.2374892375363462
Energy: 1.3091528259107712
Energy: 1.2303268790590385
Energy: 1.2378372867999323
Energy: 1.2015219413956395
Energy: 1.1607159199761452
Energy: 1.1585561083374796
Energy: 1.15902074288512
Energy: 1.1639568699113017
Energy: 1.1637480954482862
Energy: 1.183903092927408
Energy: 1.1321232131398797
Energy: 1.132166291640577
Energy: 1.2302336840784498
Energy: 1.1874571798364981
Energy: 1.1889552293908412
Energy: 1.2911253110378083
Energy: 1.1596372665892911
Energy: 1.185563354367397
Energy: 1.1470331104653542
Energy: 1.1464300645426093
Energy: 1.1312802033211509
Energy: 1.1350563853027644
Energy: 1.1602591906978643
Energy: 1.2549606273424472

minimum gb energy = 1.105128624418493 eV
minimum distance =  2.252098291407 Angstroms
sigma value = 185


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

Energy: 2.28233948238866
Energy: 1.1653157339913573
Energy: 1.3894121368265717
Energy: 1.2363560478173883
Energy: 1.2321805141701612
Energy: 1.414215040945741
Energy: 1.3751088214416858
Energy: 1.3648167014623402
Energy: 1.2131480314245786
Energy: 1.1663774654762222
Energy: 1.1778102132554877
Energy: 1.382240487536095
Energy: 1.20188089640857
Energy: 1.1971406141115786
Energy: 1.1419886305748943
Energy: 1.2199622309542753
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Energy: 1.5030104359014806
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Energy: 1.3756577072691911
Energy: 1.2110551927617015
Energy: 1.1925289704781137
Energy: 1.3386668692592885
Energy: 1.3085845248024022
Energy: 1.3259090532198192
Energy: 1.217199730489084
Energy: 1.1862981855905794
Energy: 1.18682818440374
Energy: 1.222332171284182
Energy: 1.1862471414078037
Energy: 1.2155458163053878
Energy: 1.1833621098896767
Energy: 1.1884088989635284
Energy: 1.3003168333046644
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Energy: 1.4792346076954213
Energy: 1.5102574349264177
Energy: 1.4099581675831012
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Energy: 1.187951146095589
Energy: 1.1873667818680167
Energy: 1.1832760497959525
Energy: 1.1834949079444823
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Energy: 1.169280143352855
Energy: 1.14014523432224
Energy: 1.35464846976276
Energy: 1.3334997778372442
Energy: 1.365976421885935
Energy: 1.3632286631932484
Energy: 1.5119926299636641
Energy: 1.3805984979634596
Energy: 1.3004009498341877
Energy: 1.334216478601951
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Energy: 1.1448278086378896
Energy: 1.2114583351715114
Energy: 1.1395450130668523
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Energy: 1.4825184435207401
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Energy: 1.1694822813805035
Energy: 1.3549643556489677
Energy: 1.4000469193628644
Energy: 1.139233824483725
Energy: 1.2119647778797096
Energy: 1.1603881117093866
Energy: 1.192643808987214
Energy: 1.3430177366382576
Energy: 1.3767909098961162
Energy: 1.362267188745487
Energy: 1.500080471361237
Energy: 1.308995248181343
Energy: 1.309655915021826
Energy: 1.3241185638398087
Energy: 1.4792209894060502
Energy: 1.5022078493045006
Energy: 1.3906714593224032
Energy: 1.1689355366448733
Energy: 1.1591365647014227
Energy: 1.1597489023075245
Energy: 1.1580060775239116
Energy: 1.1594419715413633
Energy: 1.169600982154317
Energy: 1.1977266144899403
Energy: 1.3789010979533658
Energy: 1.3913469039730397
Energy: 1.4769822814158902
Energy: 1.1905807657153633
Energy: 1.1602177069894737
Energy: 1.1930758748679904
Energy: 1.1673275061748556
Energy: 1.2067393954266328
Energy: 1.2140783302001859
Energy: 1.2047137364783884
Energy: 1.1704942681367065
Energy: 1.16313689786568
Energy: 1.2344621445704649
Energy: 1.1417368009374824
Energy: 1.472104244949836
Energy: 1.4744606811858403
Energy: 1.1951329256752792
Energy: 1.207895365265811
Energy: 1.370419134366345
Energy: 1.3844180660943253
Energy: 1.3723739053074322
Energy: 1.3835123787330654
Energy: 1.2631619036963408
Energy: 1.144099648190672
Energy: 1.1423951577012432
Energy: 1.238489741431697
Energy: 1.4253335858444467
Energy: 1.2067304169534419
Energy: 1.159682115774336
Energy: 1.1937289641201398
Energy: 1.3870149234310576
Energy: 1.4377234172229272
Energy: 1.215329686696277
Energy: 1.3394386100117093
Energy: 1.50934628662368
Energy: 1.2566360839483115
Energy: 1.2400718259176065
Energy: 1.2620199261173717
Energy: 1.3278679732881211
Energy: 1.345015888984547
Energy: 1.5829375182989052
Energy: 1.1847206406381732
Energy: 1.157253755266221
Energy: 1.1560312383271414
Energy: 1.160408591971397
Energy: 1.2056544737304697
Energy: 1.2913405044773925
Energy: 1.3087940388411952
Energy: 1.3707691954334174
Energy: 1.4938816068941223
Energy: 1.5102469310728384
Energy: 1.3156196505718774
Energy: 1.1577628960063067
Energy: 1.157611883828148
Energy: 1.1574765011742112
Energy: 1.1579002573099622
Energy: 1.1533407058216636
Energy: 1.1895983249316264
Energy: 1.1630388481928025
Energy: 1.1693024743615463
Energy: 1.2265512521021233
Energy: 1.4915206120995925
Energy: 1.3687732783554505
Energy: 1.191035639558223
Energy: 1.191367704555109
Energy: 1.3324734397496218
Energy: 1.1544913365703318
Energy: 1.32439438757753
Energy: 1.3649183465767831
Energy: 1.3135264027073574
Energy: 1.2455223244274787
Energy: 1.1466610171411402
Energy: 1.1770980760652798
Energy: 1.4302112227362271
Energy: 1.3022954811072283
Energy: 1.157823303337197
Energy: 1.205819528082171
Energy: 1.2572232230470524
Energy: 1.4899835837381616
Energy: 1.4908130180314956
Energy: 1.4915485050973685
Energy: 1.4957110378097895
Energy: 1.143034447498
Energy: 1.204862415385784
Energy: 1.18225262599781
Energy: 1.2025411436156472
Energy: 1.38370654701682
Energy: 1.1717032416391322
Energy: 1.153418383934436
Energy: 1.1579086737854853
Energy: 1.158677376676607
Energy: 1.1322388819601874
Energy: 1.1324472076539482
Energy: 1.2779031968578711
Energy: 1.3290931443469465
Energy: 1.370426226925868
Energy: 1.2336178690145148
Energy: 1.496249846169704
Energy: 1.4808187870140992
Energy: 1.3865798362645443
Energy: 1.2139768655820746
Energy: 1.183701423046195
Energy: 1.2208908557686977
Energy: 1.1597974006253222
Energy: 1.1674756246241484
Energy: 1.3129387525785392
Energy: 1.3249827638843066
Energy: 1.167897908431588
Energy: 1.3988486963441138
Energy: 1.4885351227720307
Energy: 1.369982875242422
Energy: 1.1564208133825924
Energy: 1.1586870437200432
Energy: 1.188501168851919
Energy: 1.1569865280288174
Energy: 1.1582377981024823
Energy: 1.2206578461497999
Energy: 1.1412090055293738
Energy: 1.175990775333102
Energy: 1.1967886465885234
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Energy: 1.1432976135579815
Energy: 1.4807613061151375
Energy: 1.351675528204279
Energy: 1.3232145630541814
Energy: 1.2882375205368688
Energy: 1.279270930744041
Energy: 1.491829785381532
Energy: 1.50887704746988
Energy: 1.211604566864756
Energy: 1.1436776444187984
Energy: 1.1438722107306991
Energy: 1.191692791752408
Energy: 1.3958003892331932
Energy: 1.3491642415877483
Energy: 1.3954004642847055
Energy: 1.4845779733393216
Energy: 1.478591578284046
Energy: 1.3873801951079427
Energy: 1.3850509813932947
Energy: 1.3400965103045952
Energy: 1.4794401129439387
Energy: 1.277898187097957
Energy: 1.3963043723551236
Energy: 1.1421413143170889
Energy: 1.1531149809610022
Energy: 1.1603536407022415
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Energy: 1.1598558323184804
Energy: 1.1597015594711133
Energy: 1.159787048461107
Energy: 1.209645308088399
Energy: 1.219208708681103
Energy: 1.3232220808808326
Energy: 1.3266388206348407
Energy: 1.4722986592574445
Energy: 1.4721816667834249
Energy: 1.4937862087182392
Energy: 1.200829606440078
Energy: 1.18891939708941
Energy: 1.1589393212820214
Energy: 1.1647346595017927
Energy: 1.1651571768305147
Energy: 1.170072248332527
Energy: 1.3138699389128403
Energy: 1.3824481406208904
Energy: 1.4776394971357365
Energy: 1.2481299302493987
Energy: 1.4944406882949695
Energy: 1.3483457233474827
Energy: 1.2004885246524866
Energy: 1.3235197848778002
Energy: 1.2191555463673123
Energy: 1.1836412305294042
Energy: 1.1706933851903114
Energy: 1.1708555956520346
Energy: 1.2136603213826445
Energy: 1.2348216866017523
Energy: 1.1424241724439261
Energy: 1.14293170602263
Energy: 1.2272400778495234
Energy: 1.2056356149586251
Energy: 1.2192477905272663
Energy: 1.3307019497878239
Energy: 1.3757478387403534
Energy: 1.3857100086665166
Energy: 1.2059290224751305
Energy: 1.5103084680870844
Energy: 1.3623443725434865
Energy: 1.1428679956738468
Energy: 1.2452450623318454
Energy: 1.168835786707186
Energy: 1.173866999156673
Energy: 1.1703539116489048
Energy: 1.1997921805175265
Energy: 1.4779334273288776
Energy: 1.4870732382886858
Energy: 1.229484514018914
Energy: 1.1823332516980454
Energy: 1.1825928265819676
Energy: 1.326878147147342
Energy: 1.3256109540187058
Energy: 1.1332477739734628
Energy: 1.3884622675046219
Energy: 1.1714147479053891
Energy: 1.220746275348192
Energy: 1.1867595640697217
Energy: 1.1864034384464772
Energy: 1.1881081213699256
Energy: 1.1850101542925011
Energy: 1.1870556981542388
Energy: 1.1928416390123342
Energy: 1.1950128410266465
Energy: 1.3680518048283348
Energy: 1.4843503597729697
Energy: 1.5039323424727837
Energy: 1.2173376711265569
Energy: 1.3878952217248395
Energy: 1.184302069992697
Energy: 1.1829094186399132
Energy: 1.1889513633883415
Energy: 1.1858811228505703
Energy: 1.2185877749263025
Energy: 1.1379398673525405
Energy: 1.1662935433988455
Energy: 1.234653327285612
Energy: 1.492594649332019
Energy: 1.138344081113838
Energy: 1.3609638661093346
Energy: 1.3687648995231771
Energy: 1.2204388017197831
Energy: 1.3065088978563548
Energy: 1.261128309673035
Energy: 1.1655283882502945
Energy: 1.163557080289618
Energy: 1.220311874356299
Energy: 1.1711999630994663

minimum gb energy = 1.1322388819601874 eV
minimum distance =  2.26725730292493 Angstroms
sigma value = 33


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

Energy: 1.3962878871319884
Energy: 1.2075044295544737
Energy: 1.206573188283801
Energy: 1.3111348956833866
Energy: 1.2148494981501174
Energy: 1.4078895010961998
Energy: 1.4287423242496806
Energy: 1.2448378012858319
Energy: 1.2364919195882398
Energy: 1.1984535070148619
Energy: 1.198077652751048
Energy: 1.2041613807749862
Energy: 1.259693412157697
Energy: 1.200400392821139
Energy: 1.2413356316993815
Energy: 1.2146443194413774
Energy: 1.210226220591504
Energy: 1.212644430158766
Energy: 1.216252840077491
Energy: 1.210260363555697
Energy: 1.2444238801355698
Energy: 1.2134550581931192
Energy: 1.2153705788488607
Energy: 1.1988808056664761
Energy: 1.1976502844535886
Energy: 1.2426824335045306
Energy: 1.2138444900439804
Energy: 1.2136629203859406
Energy: 1.2423069709609629
Energy: 1.2098828875698726
Energy: 1.2581317620854802
Energy: 1.2097929773518417
Energy: 1.237702394774235
Energy: 1.2427381980522063
Energy: 1.2030433723442464
Energy: 1.1997523086413469
Energy: 1.2051026395546673
Energy: 1.2098182339138432
Energy: 1.2552027530213503
Energy: 1.2142354783249316
Energy: 1.2394241306286888
Energy: 1.2270877741691013
Energy: 1.2086643405917796
Energy: 1.2084896044722235
Energy: 1.2084756997017818
Energy: 1.19959719052521
Energy: 1.4849658127623349
Energy: 1.4174316066400066
Energy: 1.2418342155354585
Energy: 1.2138528300338889
Energy: 1.3457097021961437
Energy: 1.3501644282448693
Energy: 1.3235518549218845
Energy: 1.367687978423899
Energy: 1.2599448144451026
Energy: 1.1933570786264043
Energy: 1.2347733580620113
Energy: 1.2088903425187991
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Energy: 1.2241302838209231
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Energy: 1.413878032901485
Energy: 1.2042373723803903
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Energy: 1.1969995138278886
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Energy: 1.2157136284656949
Energy: 1.2008098212354374
Energy: 1.208885951138124
Energy: 1.42914569975381
Energy: 1.4041571021561157
Energy: 1.2047284531294498
Energy: 1.2457516550368548
Energy: 1.1975188711012004
Energy: 1.197264643658404
Energy: 1.1972871660723032
Energy: 1.2070417729783849
Energy: 1.2159771478513732
Energy: 1.3343918472871767
Energy: 1.3523050054741523
Energy: 1.3739848284794527
Energy: 1.3666640600954563
Energy: 1.1982616920540277
Energy: 1.198319932638345
Energy: 1.1983595706210126
Energy: 1.1968661692960765
Energy: 1.1967171465281057
Energy: 1.1971224926640591
Energy: 1.1984084520311793
Energy: 1.1930851078411946
Energy: 1.2249310073598414
Energy: 1.1984001315378985
Energy: 1.232293137740893
Energy: 1.1993512485581952
Energy: 1.202844782137697
Energy: 1.206877674132612
Energy: 1.1969150170940586
Energy: 1.1979646243381308
Energy: 1.266164296308878
Energy: 1.248955501488611
Energy: 1.1982328790585306
Energy: 1.211411798518265
Energy: 1.231754744889608
Energy: 1.2433240189537187
Energy: 1.2067463326102488
Energy: 1.345843971115639
Energy: 1.209868243834282
Energy: 1.3786567117697506
Energy: 1.3584596491836671
Energy: 1.2086636631011207
Energy: 1.3709608067475645
Energy: 1.2333877212622546
Energy: 1.1977976791377305
Energy: 1.210166348368111
Energy: 1.2071598595449655
Energy: 1.204854238983477
Energy: 1.2192286667399361
Energy: 1.2469923846009916
Energy: 1.2086515158985223
Energy: 1.2136973974612921
Energy: 1.2139581268618482
Energy: 1.2099665484857223
Energy: 1.1994422790804136
Energy: 1.2032473615220163
Energy: 1.3251467278649711
Energy: 1.243423799059869
Energy: 1.1954446332403965
Energy: 1.251295429620426
Energy: 1.214008736291408
Energy: 1.4000237926652621
Energy: 1.2098926780486623
Energy: 1.2158236241490912
Energy: 1.2075588610150898
Energy: 1.2464173385373563
Energy: 1.2553780536300925
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Energy: 1.2049476792553357
Energy: 1.199533723601571
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Energy: 1.2132229761909803
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Energy: 1.2088462465455896
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Energy: 1.2337703368189148
Energy: 1.4296523117360147
Energy: 1.2386148781712711
Energy: 1.2448074762530654
Energy: 1.198963188637594

minimum gb energy = 1.1895178559407236 eV
minimum distance =  2.24188936711163 Angstroms
sigma value = 219


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

Energy: 2.0231529447886936
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Energy: 1.022624004883848
Energy: 1.0571782375873198
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Energy: 1.0578142480108998
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Energy: 1.0090164251315856
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Energy: 1.0539639323162682
Energy: 1.0044600125946967
Energy: 1.005468226151898
Energy: 1.0565467241390163
Energy: 1.0235067187470368

minimum gb energy = 1.003128802502287 eV
minimum distance =  2.28354040106017 Angstroms
sigma value = 15


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

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Energy: 1.3874204548811149
Energy: 1.2729533800224107
Energy: 1.2535388529879603
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Energy: 1.2682456737205923
Energy: 1.253169177024526
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minimum gb energy = 1.2211946999644565 eV
minimum distance =  2.22275527477696 Angstroms
sigma value = 293


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

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Energy: 1.3169573359566575
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Energy: 1.3168877818918834
Energy: 1.2954909185096086
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Energy: 1.2772139761171184
Energy: 1.3159064622571754
Energy: 1.2341836408486715
Energy: 1.3076539237303193
Energy: 1.2632925949792235
Energy: 1.2242344654836297
Energy: 1.252827573228925
Energy: 1.397711722413791
Energy: 1.4724761910795223
Energy: 1.4648800881417834
Energy: 1.3460343932621952
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Energy: 1.3170571256436236
Energy: 1.3021133687863307
Energy: 1.2271940886799746
Energy: 1.2263009282977348
Energy: 1.2997118800890344
Energy: 1.4091834581058358
Energy: 1.4718581948074196
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Energy: 1.2656751459463407
Energy: 1.2618969287732744
Energy: 1.3001967292173895
Energy: 1.3002118975492958
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Energy: 1.2644353499304126
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Energy: 1.2550966147423621
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Energy: 1.3968388714678277
Energy: 1.2563925808975047
Energy: 1.3927381218845645
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Energy: 1.3244598007149957
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Energy: 1.2553933115238807
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Energy: 1.3765014997581264
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Energy: 1.3170795428224356
Energy: 1.231717726331803
Energy: 1.4156549662554339
Energy: 1.2256729814683727
Energy: 1.253646743275942
Energy: 1.493401334950021
Energy: 1.3721179088147737
Energy: 1.4033370404240324
Energy: 1.363585481271121
Energy: 1.3682057204518863
Energy: 1.3848117689058124
Energy: 1.3759075046308862
Energy: 1.4092741954814647
Energy: 1.254533022178848
Energy: 1.2580852509036677
Energy: 1.2671281352617796
Energy: 1.37509498763415
Energy: 1.262623987369734
Energy: 1.3742906261257803
Energy: 1.2633561468259582
Energy: 1.3653319849541914
Energy: 1.3782978389933853
Energy: 1.311260079273253
Energy: 1.2558013794065017
Energy: 1.2569991943968832
Energy: 1.2564524573579636
Energy: 1.3758327598033981
Energy: 1.365358420059215
Energy: 1.3454387550814653
Energy: 1.3645349482020377
Energy: 1.364516390515619
Energy: 1.3456725360812953
Energy: 1.2259995021998538
Energy: 1.2093036941268647
Energy: 1.3214857564642457
Energy: 1.3306103152850455
Energy: 1.3013498781497859
Energy: 1.3545732231182577
Energy: 1.2257327867917311
Energy: 1.2787343125375825
Energy: 1.3888858492936806
Energy: 1.4730232513434776
Energy: 1.254917199669509
Energy: 1.2345629924320476
Energy: 1.2264728756242975
Energy: 1.3089865715228424
Energy: 1.3039339592779473
Energy: 1.3291466676956976
Energy: 1.4854572708243527
Energy: 1.461863185128703
Energy: 1.2788766568062004
Energy: 1.2269759112646614
Energy: 1.254636127551971
Energy: 1.2546577094040534
Energy: 1.2562084250479542
Energy: 1.2758591543700948
Energy: 1.4115741527089727
Energy: 1.330346235847057
Energy: 1.4721454144657622
Energy: 1.3884971244187543
Energy: 1.2258436746203876
Energy: 1.2253473682827432
Energy: 1.2277410137337494
Energy: 1.2541635651358154
Energy: 1.2551544374940875
Energy: 1.3746010150009276
Energy: 1.3754859127161927
Energy: 1.4088811289728704
Energy: 1.2706504387531798
Energy: 1.2959019310005664
Energy: 1.2258643332485086
Energy: 1.2264639998789328
Energy: 1.3222428630753746
Energy: 1.4070033654243799
Energy: 1.323860025783476
Energy: 1.3071911896343698
Energy: 1.2550634693496991
Energy: 1.4661948401921026

minimum gb energy = 1.2093036941268647 eV
minimum distance =  2.21302960380611 Angstroms
sigma value = 293


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

Energy: 1.4265549189138707
Energy: 1.4039170672332193
Energy: 1.1639089139486283
Energy: 1.5684440107251267
Energy: 1.1678132464084554
Energy: 1.1664499101711807
Energy: 1.2075698186357506
Energy: 1.221086425436463
Energy: 1.1022437695908505
Energy: 1.4233950286034254
Energy: 1.2755739154364907
Energy: 1.2102245756002505
Energy: 1.1665927616416611
Energy: 1.197388074398659
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Energy: 1.219771627025392
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Energy: 1.1686193110372078
Energy: 1.164503738226831
Energy: 1.2052971339599403
Energy: 1.1644728333926815
Energy: 1.1645177955225376
Energy: 1.1667955100838205
Energy: 1.1633158707529223
Energy: 1.2190967681481337
Energy: 1.2187569090234767
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Energy: 1.166973292297137
Energy: 1.1656065010230177
Energy: 1.2871802568479542
Energy: 1.424618600224751
Energy: 1.1645259215743815
Energy: 1.2075465003076231
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Energy: 0.9792313495073197
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Energy: 1.1637619358954658
Energy: 1.4224057505988255
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Energy: 1.2185216217056434
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Energy: 1.165703128947048
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Energy: 1.0874918071403832
Energy: 0.9795150998591253
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Energy: 1.1013689143715792
Energy: 1.4243011622177866
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Energy: 1.1649720090122295
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Energy: 1.166999416556988
Energy: 1.2617363546594083
Energy: 1.1640422771583385
Energy: 1.1659605187324038
Energy: 1.092548044427338
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Energy: 1.2211728774812007
Energy: 1.1040511872815453
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Energy: 1.1643674449117467
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Energy: 1.164007738646801
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Energy: 1.2204349956320997
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Energy: 1.2766003045026109
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Energy: 1.1646693953012288
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Energy: 1.1032641258324385
Energy: 1.4235467445816266
Energy: 1.4248361011799102
Energy: 1.167738333970451
Energy: 1.1643334471865041
Energy: 1.4635911062553164
Energy: 1.1637200710141566
Energy: 1.1014118609128354
Energy: 1.2195986390089577
Energy: 1.220293632692782
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Energy: 1.262931849566618
Energy: 1.1629918218607287
Energy: 1.2203877722537353
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Energy: 1.1668946765481207
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Energy: 1.1644803202955738
Energy: 1.1664884029922702
Energy: 1.1646769845504725
Energy: 1.0914185461480004
Energy: 1.2057656813279993
Energy: 0.979832971990013
Energy: 1.2215130590882102
Energy: 1.1019060722147618
Energy: 1.426857229406759
Energy: 1.4240256301851446
Energy: 1.1645048137688223
Energy: 1.2051193607999582
Energy: 1.1977952134011127
Energy: 1.164143445122947
Energy: 1.168282776263673
Energy: 1.0937309529403871
Energy: 1.1033379644640031
Energy: 1.162865442923057
Energy: 1.4224512122486204
Energy: 1.423682513351886
Energy: 1.2606955248634077
Energy: 1.2627487494473613
Energy: 1.4626742974362799
Energy: 1.1642356459245649
Energy: 1.1673738532280513
Energy: 1.218441266178973
Energy: 1.2210324839408115
Energy: 1.103062827939413
Energy: 1.1015888268590088
Energy: 1.1663357655586868
Energy: 1.1650054484799264
Energy: 1.164544622807266
Energy: 1.2096269910865154
Energy: 1.1663407318116255
Energy: 1.1646335427729466
Energy: 1.221042946158449
Energy: 1.0910867884300581
Energy: 1.2184659555485882
Energy: 1.1668478432411598
Energy: 1.1642088456618993
Energy: 1.2088709713211936
Energy: 1.168162718793499
Energy: 1.2534903683437457
Energy: 1.2064687722849081
Energy: 1.103040178279798
Energy: 1.1636256747655411
Energy: 1.2043488251929815
Energy: 1.2188570580789129
Energy: 1.1040066954413819
Energy: 1.1022290657071585
Energy: 1.429725377285112
Energy: 1.4026257645526081
Energy: 1.1654135618597186
Energy: 1.1647496776160409
Energy: 1.1986849863419933
Energy: 1.1669089682663438
Energy: 1.0924377668762002
Energy: 1.2188441932504646
Energy: 1.2066203803557751
Energy: 1.1644853474046837
Energy: 1.4239643664895414
Energy: 1.1038394081953402
Energy: 1.1643449580695169
Energy: 1.2553678333411833
Energy: 1.2916535318656321
Energy: 1.1632610417844242
Energy: 1.1673400911574707
Energy: 1.2171054451991052
Energy: 1.0922104957306151
Energy: 1.1594230184326604
Energy: 1.1637930695526972
Energy: 1.2045610704601297
Energy: 1.2761365675012084
Energy: 1.1667682934941594
Energy: 1.208911395775342
Energy: 1.1660633834478777
Energy: 1.167009125893573
Energy: 1.1043272683534515
Energy: 1.2189586738533267
Energy: 1.2077133844256975
Energy: 1.166364449007459
Energy: 1.104196855436548

minimum gb energy = 0.9792313495073197 eV
minimum distance =  2.3335452099557 Angstroms
sigma value = 15


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

Energy: 1.504648960034215
Energy: 1.142938384475021
Energy: 1.202994483099741
Energy: 1.2024420033511418
Energy: 1.1338405172538093
Energy: 1.3928263658826552
Energy: 1.134125455575736
Energy: 1.1330946994945776
Energy: 1.1488868801041223
Energy: 1.1765285983060287
Energy: 1.3458661305550912
Energy: 1.3144471468641499
Energy: 1.4973231166677332
Energy: 1.1859211965894685
Energy: 1.1347668362131875
Energy: 1.1501314138242231
Energy: 1.1326109636497446
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Energy: 1.134216174868517
Energy: 1.2399159422592723
Energy: 1.3752289437168146
Energy: 1.3368206749917926
Energy: 1.3416055519039725
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Energy: 1.1477587777340044
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Energy: 1.132607764007471
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Energy: 1.2905961077278854
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Energy: 1.296282360274672
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Energy: 1.253281525608099
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Energy: 1.39536082433779
Energy: 1.3570836808227147
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Energy: 1.2551921224648144
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Energy: 1.2613658347140984
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Energy: 1.4130156987674687
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Energy: 1.166011771165258
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Energy: 1.3374947704467295
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Energy: 1.3147781799167197
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Energy: 1.1827651517465612
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Energy: 1.2807416317113696
Energy: 1.3196026355125687
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Energy: 1.2166869966190736
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Energy: 1.1810735041910072
Energy: 1.1659250246605157
Energy: 1.1669306893059568
Energy: 1.443596315032326
Energy: 1.3118582385017132
Energy: 1.3556227773585705
Energy: 1.1955922633505605
Energy: 1.1823365084870903
Energy: 1.1824427935216946
Energy: 1.1817297229140677
Energy: 1.3756684101158139
Energy: 1.4029955966551724
Energy: 1.1654884987261018
Energy: 1.1370761434585472
Energy: 1.122854502097545
Energy: 1.1944523254480734
Energy: 1.138625648662177
Energy: 1.2396997081368832
Energy: 1.1963435046223732
Energy: 1.2411592004963268
Energy: 1.1522802177234912
Energy: 1.1517351781479828
Energy: 1.1510889184328412
Energy: 1.138552260173531
Energy: 1.1994668657169318
Energy: 1.1216250687628073
Energy: 1.281159193121258
Energy: 1.4484244025604074
Energy: 1.4830428675891585
Energy: 1.1367940578115614
Energy: 1.1509511325196138
Energy: 1.1521574023531123
Energy: 1.1515942254953995
Energy: 1.2278396304991979
Energy: 1.196202939035971
Energy: 1.3303371160510242
Energy: 1.1248103129650346
Energy: 1.4207241613178592
Energy: 1.2082149474673813
Energy: 1.1518684514614301
Energy: 1.1513051419192941
Energy: 1.1527113512510294
Energy: 1.2553305023724646
Energy: 1.4815593965973555
Energy: 1.4031320504440739
Energy: 1.40254483808675
Energy: 1.2828428701360097
Energy: 1.3074090887090264
Energy: 1.2258974728956515
Energy: 1.150881355452045
Energy: 1.3599515765653523
Energy: 1.361141149103095
Energy: 1.4020142627957162
Energy: 1.196132817148409
Energy: 1.2481382084435837
Energy: 1.1517112908180085
Energy: 1.3165928628821761
Energy: 1.2466094573610722
Energy: 1.1656624926514156
Energy: 1.332967051177959
Energy: 1.3594861253599735
Energy: 1.2296703256807504
Energy: 1.2504455158818137
Energy: 1.2331066900606524
Energy: 1.2329458249247063
Energy: 1.2422202323371199
Energy: 1.3458820391516695
Energy: 1.2697832227590877
Energy: 1.4006654614124332
Energy: 1.4185149947501825
Energy: 1.2445905731059366
Energy: 1.2181163407708566
Energy: 1.221073729877665
Energy: 1.2350814176072977
Energy: 1.2332568530035053
Energy: 1.1787121459238363
Energy: 1.2713321580181955
Energy: 1.2417740129514823
Energy: 1.1674438302177375
Energy: 1.3757027777074453
Energy: 1.2203031062176235
Energy: 1.218038307179363
Energy: 1.2595432982158137
Energy: 1.2779447945188345
Energy: 1.2436694809558086
Energy: 1.217728629877749
Energy: 1.2419162474777703
Energy: 1.2425154242161116
Energy: 1.1682469122610861
Energy: 1.2498695223147094
Energy: 1.2442635587764372
Energy: 1.2124183144146614
Energy: 1.2116539134653894
Energy: 1.1651281420767512
Energy: 1.3082494616401317
Energy: 1.2088050574356854
Energy: 1.2327240689430727
Energy: 1.2530587564527433
Energy: 1.2595720670745878
Energy: 1.241246579101636
Energy: 1.2408213172983227
Energy: 1.2436097028757296
Energy: 1.2516387734617174
Energy: 1.3266682072351448
Energy: 1.4156703688476082
Energy: 1.3989288362246446
Energy: 1.2331148012445767
Energy: 1.374805212011267
Energy: 1.1783254712550792
Energy: 1.2427512365387556
Energy: 1.242630913746808
Energy: 1.2421058283221715
Energy: 1.3089769948965542
Energy: 1.3462431977058693
Energy: 1.3299586545216322
Energy: 1.1868008210446719
Energy: 1.2170557501777142
Energy: 1.3916564594241698
Energy: 1.1873138202252602
Energy: 1.1680066153017648
Energy: 1.1857564739216389
Energy: 1.4151310645339787
Energy: 1.1489265360625174
Energy: 1.1477906057917724
Energy: 1.1481831426728988
Energy: 1.1853435943056603
Energy: 1.3647656192450512
Energy: 1.299017082928612
Energy: 1.4103498886007755
Energy: 1.345021426167165
Energy: 1.1719569843270194
Energy: 1.1337341456258787
Energy: 1.1334483014263197
Energy: 1.151315237226659
Energy: 1.1482930352775502
Energy: 1.1767730281305626
Energy: 1.3761411332391815
Energy: 1.2820870533745923
Energy: 1.398170200680938
Energy: 1.149628145308269
Energy: 1.135357957707573
Energy: 1.1325267979127933
Energy: 1.133079696634667
Energy: 1.1503121604249473
Energy: 1.163447934432206
Energy: 1.1558534762941275
Energy: 1.4988298738899122
Energy: 1.3568350948383163
Energy: 1.2093004568498638
Energy: 1.2715029423806554
Energy: 1.1890744330902505
Energy: 1.2254287124446535
Energy: 1.1353578035856127
Energy: 1.4516805240467419
Energy: 1.1353037007840598
Energy: 1.1646904386223338
Energy: 1.1614240187585996
Energy: 1.1496046228942864
Energy: 1.234248803240876
Energy: 1.1433097070589593
Energy: 1.495790647891872
Energy: 1.1622034747144172
Energy: 1.1611102208332815
Energy: 1.1781414304139493
Energy: 1.1644596833173038
Energy: 1.1617248536732199
Energy: 1.1567017480271085
Energy: 1.2410316818992237
Energy: 1.3188570871164462
Energy: 1.3574958911328252
Energy: 1.288152261209663
Energy: 1.158783922852218
Energy: 1.1601532112116892
Energy: 1.1769488082585098
Energy: 1.2170275713401963
Energy: 1.1607110065379502
Energy: 1.1634773810231192
Energy: 1.2409577607546554
Energy: 1.3006110499077794
Energy: 1.3157728833361346
Energy: 1.2166695238805803
Energy: 1.1891272231672907
Energy: 1.178921985996379
Energy: 1.1770737728546057
Energy: 1.1777211294713053
Energy: 1.2868124709601887
Energy: 1.366386601359545
Energy: 1.3669924327938494
Energy: 1.3172286544350853
Energy: 1.3141296790156625
Energy: 1.162471620286695
Energy: 1.1641005580621449
Energy: 1.2994840037938504
Energy: 1.2604182785660438
Energy: 1.2761390011124554
Energy: 1.3871332740750548
Energy: 1.2771965137724341
Energy: 1.162795328862902
Energy: 1.161436473780295
Energy: 1.2169534826792148
Energy: 1.185980383703888
Energy: 1.314301142159059
Energy: 1.3135335973639697
Energy: 1.2607369730752738
Energy: 1.3024235270622886
Energy: 1.312583786927542
Energy: 1.3145726904965882
Energy: 1.3141753518295554
Energy: 1.2358679655867855
Energy: 1.2411699136228829
Energy: 1.1890802330309949
Energy: 1.224008265429479
Energy: 1.2397627781285494
Energy: 1.2993102027853072
Energy: 1.2547119806417795
Energy: 1.2591992704992934
Energy: 1.3139350545522326
Energy: 1.313415054871515
Energy: 1.2323551889182296
Energy: 1.2479348935006083
Energy: 1.1622089080795672
Energy: 1.297807389085145
Energy: 1.2728770205534348
Energy: 1.3140994459432225
Energy: 1.261644488541677
Energy: 1.1812899274638335
Energy: 1.1780967318644755
Energy: 1.1864406918076875
Energy: 1.2582154568999553
Energy: 1.1789760597141667
Energy: 1.3126787940788536
Energy: 1.4024081521090017
Energy: 1.162446025465614
Energy: 1.161810498223556
Energy: 1.1788093663277261
Energy: 1.1753611687887349
Energy: 1.149025124166694
Energy: 1.1853166909728752
Energy: 1.1878204719679875
Energy: 1.315682540742447
Energy: 1.1647049324116652
Energy: 1.2391036861317135
Energy: 1.133182019967435
Energy: 1.1640411147615477
Energy: 1.162180121576247
Energy: 1.1774667533670091
Energy: 1.1346808724912159
Energy: 1.1345761097733376
Energy: 1.5008839596965464
Energy: 1.3361637902229433
Energy: 1.2192447687942731
Energy: 1.179976234854772
Energy: 1.2023870285300586
Energy: 1.163935740466841
Energy: 1.16318025617215
Energy: 1.3561946850156468
Energy: 1.1344655736454603
Energy: 1.1344762504252406
Energy: 1.148448148273661
Energy: 1.2571584363690924

minimum gb energy = 1.1216250687628073 eV
minimum distance =  2.23394303457443 Angstroms
sigma value = 437


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

Energy: 1.506249697665752
Energy: 1.1530839230095178
Energy: 1.3627170983344312
Energy: 1.252603278812981
Energy: 1.3615464477139567
Energy: 1.2391852157843828
Energy: 1.2490503018118742
Energy: 1.240038306948886
Energy: 1.2470811441848215
Energy: 1.1451029100103622
Energy: 1.1438610542947105
Energy: 1.1465505187573704
Energy: 1.3650642092953984
Energy: 1.2669265582809863
Energy: 1.2623070118612316
Energy: 1.2928907600292119
Energy: 1.2103830263108906
Energy: 1.2117746966783633
Energy: 1.1606012755590227
Energy: 1.1499575808780182
Energy: 1.2784460150537855
Energy: 1.265198985379134
Energy: 1.1424872756137416
Energy: 1.4371015054932554
Energy: 1.2507891527956625
Energy: 1.2429959173204794
Energy: 1.207885858131782
Energy: 1.2055985067651172
Energy: 1.1478627135186972
Energy: 1.2512330870171444
Energy: 1.217842583108093
Energy: 1.1495706259179985
Energy: 1.1759405871158664
Energy: 1.243334984337985
Energy: 1.2468317837913017
Energy: 1.2390224250031876
Energy: 1.2185259484858009
Energy: 1.1895578111880176
Energy: 1.235003078569108
Energy: 1.2348158019041267
Energy: 1.249756779479109
Energy: 1.2796673871579693
Energy: 1.147191646451703
Energy: 1.2190348711963048
Energy: 1.2095109036653433
Energy: 1.2080608747407116
Energy: 1.2102413471386662
Energy: 1.2940864816278017
Energy: 1.1431139267198573
Energy: 1.1481572677409988
Energy: 1.1543088742729333
Energy: 1.1447323986174298
Energy: 1.1481548643324073
Energy: 1.279645346659518
Energy: 1.2119397245693726
Energy: 1.2073498370205036
Energy: 1.2375637624580798
Energy: 1.2529409382070174
Energy: 1.1438530207286517
Energy: 1.1447371568962197
Energy: 1.1448219252735203
Energy: 1.3539196972474499
Energy: 1.1568907374604553
Energy: 1.3947055601589795
Energy: 1.1503475026181882
Energy: 1.2524233468139376
Energy: 1.0983584962124822
Energy: 1.0978440080433518
Energy: 1.1488794449498014
Energy: 1.1426495560771674
Energy: 1.1504984769593596
Energy: 1.100275129114789
Energy: 1.0980676754404668
Energy: 1.1854895829581733
Energy: 1.25367299706181
Energy: 1.256438429890038
Energy: 1.101890256874885
Energy: 1.2840693528094755
Energy: 1.139777555815837
Energy: 1.3537943547019704
Energy: 1.14471263597518
Energy: 1.1423177623978151
Energy: 1.2590762752557987
Energy: 1.2796844223727162
Energy: 1.185158151890503
Energy: 1.1924471760857263
Energy: 1.2183524603970304
Energy: 1.2188793445707906
Energy: 1.1469132388480545
Energy: 1.1421069893191684
Energy: 1.2638264755450335
Energy: 1.1514991676463249
Energy: 1.1419684319051195
Energy: 1.1910148447484732
Energy: 1.1893507547753441
Energy: 1.1840627557655836
Energy: 1.193226868782082
Energy: 1.1948715572933697
Energy: 1.1517864825829445
Energy: 1.1493288427192012
Energy: 1.1955529364886117
Energy: 1.1753531856398094
Energy: 1.2589662971716626
Energy: 1.1982654453712978
Energy: 1.1908086180909785
Energy: 1.1892235115359562
Energy: 1.264054708476228
Energy: 1.4446674959865549
Energy: 1.2816035646090658
Energy: 1.1946760637075753
Energy: 1.2636460239138778
Energy: 1.2558882358345345
Energy: 1.1503967184221229
Energy: 1.216560137786554
Energy: 1.2607441334003187
Energy: 1.265327026513898
Energy: 1.2349061905439827
Energy: 1.2364401794239512
Energy: 1.1430459903720325
Energy: 1.2640267578432403
Energy: 1.244538828579648
Energy: 1.144900703911858
Energy: 1.145770387707007
Energy: 1.2613044855802433
Energy: 1.2651765051964825
Energy: 1.1927073697316641
Energy: 1.2391433727752212
Energy: 1.235266934868029
Energy: 1.146327477516781
Energy: 1.1997782171111533
Energy: 1.3338476936179382
Energy: 1.2709783442732558
Energy: 1.2579606743000828
Energy: 1.2493612102865432
Energy: 1.2637191463118258
Energy: 1.4151249978184475
Energy: 1.2409292247033812
Energy: 1.2421502373568643
Energy: 1.1909381542158182
Energy: 1.1556931351791873

minimum gb energy = 1.0978440080433518 eV
minimum distance =  2.24203610085326 Angstroms
sigma value = 33