Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657325506211
cohesive_energy=4.29033744093271
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=[1.8556409774987998e-19, 2.4558483881278797e-19, 3.6251489391537603e-19, 4.0814328227506194e-19, 4.466163497873039e-19, 4.7975577128496e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.8531503342715995e-19, 6.825224395540979e-19, 6.78207777878736e-19, 6.72084258783588e-19, 6.638154251755139e-19, 6.52978302423138e-19, 6.390537852970439e-19, 6.21410616203436e-19, 5.99265330768288e-19, 5.716470099513959e-19, 5.37333192981018e-19, 4.94780983758612e-19, 4.42026113730894e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014917206584739868
Energy: 0.1090289451776589
Energy: 0.0972948994305986
Energy: 0.09703965795404726
Energy: 0.11072794626166052
Energy: 0.10927616730494986
Energy: 0.11034284534932637
Energy: 0.09621046827929892
Energy: 0.09653678080144597
Energy: 0.01760970412023074
Energy: 0.09617106101392658
Energy: 0.09562081430125076
Energy: 0.1098638060857066
Energy: 0.01564064576988553
Energy: 0.01641710589060472
Energy: 0.09601862465494233
Energy: 0.0957942869968109
Energy: 0.10917687118231195
Energy: 0.09561567169514612
Energy: 0.11007493990521469
Energy: 0.09635401257263698
Energy: 0.09595619583821718
Energy: 0.10903853440258898
Energy: 0.015217651218246982
Energy: 0.09699134143613106
Energy: 0.10907658211900519
Energy: 0.015350885109167467
Energy: 0.015279098475860479
Energy: 0.10930022729749493
Energy: 0.09722390491952848
Energy: 0.016560830352287434
Energy: 0.10942376795212122
Energy: 0.0954267495364741
Energy: 0.09621473971793923
Energy: 0.09601772810638998
Energy: 0.11069913206870559
Energy: 0.01608105176244971
Energy: 0.015514330373864248
Energy: 0.09604682470773587
Energy: 0.015164427857548245
Energy: 0.01679399157730906
Energy: 0.09782564635246928
Energy: 0.09607300821605956
Energy: 0.01577956593046491
Energy: 0.015178785966230176
Energy: 0.09571314831998678
Energy: 0.09623332758835323
Energy: 0.09753870318264038
Energy: 0.09572589353833592
Energy: 0.015110777447511778
Energy: 0.09606913221799532
Energy: 0.09584604548129196
Energy: 0.1105821072930575
Energy: 0.015361232484297422
Energy: 0.015138360612779433
Energy: 0.09655690231621698
Energy: 0.015450445602480802
Energy: 0.016921544245470467
Energy: 0.11002245531050246
Energy: 0.09621385846756472
Energy: 0.015133207535277778
Energy: 0.10932297108028435
Energy: 0.09553522554450569
Energy: 0.10915910467522347
Energy: 0.09637162136833377
Energy: 0.10917574297492755
Energy: 0.015193454079454511
Energy: 0.016640595341103348
Energy: 0.10908426673265235
Energy: 0.096085954184703

minimum gb energy = 0.014917206584739868 eV
minimum distance =  2.47917388763017 Angstroms
sigma value = 3


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

Energy: 1.3415414592799741
Energy: 1.2825884362104456
Energy: 1.2129036910490723
Energy: 1.2434095641424132
Energy: 1.2692812849608153
Energy: 1.258980926545369
Energy: 1.2546940766172743
Energy: 1.2694934304418153
Energy: 1.2214229948376343
Energy: 1.2856089732004843
Energy: 1.2482104033167822
Energy: 1.2534821271032996
Energy: 1.2793106421766198
Energy: 1.2234921194880106
Energy: 1.2771658208639491
Energy: 1.213294052945095
Energy: 1.2604896981871219
Energy: 1.2698505402030127
Energy: 1.2594362620750097
Energy: 1.2983737728571225
Energy: 1.2976869780441427
Energy: 1.223473034927148
Energy: 1.3003001962345462
Energy: 1.2694800177759207
Energy: 1.2533018563365705
Energy: 1.3282075895093572
Energy: 1.2245436238956606
Energy: 1.2473707563355605
Energy: 1.3000573172671028
Energy: 1.3751232993003755
Energy: 1.425152664500212
Energy: 1.2458486445816719
Energy: 1.2777522615705965
Energy: 1.2420244502437165
Energy: 1.212221803296452
Energy: 1.2511201111399715
Energy: 1.2932336512726252
Energy: 1.314363004065075
Energy: 1.248039070341575
Energy: 1.3290355638759426
Energy: 1.4278118510505275
Energy: 1.2560147883355115
Energy: 1.3575691440278375
Energy: 1.2762589902891472
Energy: 1.2140675176168563
Energy: 1.2871396115702125
Energy: 1.2719319044639177
Energy: 1.2545090380753623
Energy: 1.2417909463652184
Energy: 1.2456220586614353
Energy: 1.2583539746251609
Energy: 1.2460423764117994
Energy: 1.2134380121891675
Energy: 1.2159478092105835
Energy: 1.3248339576491486
Energy: 1.382300121967821
Energy: 1.254917671177539
Energy: 1.2161258612874295
Energy: 1.2220544343222457
Energy: 1.247129110053355
Energy: 1.2553124497883947
Energy: 1.2141872894902026
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Energy: 1.2127978562482937
Energy: 1.2499737013124912
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Energy: 1.2750442908566302
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Energy: 1.2129042371368919
Energy: 1.2510009563923716
Energy: 1.226465314634508
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Energy: 1.2111271430774204
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Energy: 1.2043898079409325
Energy: 1.2014728352627306
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Energy: 1.24581966435142
Energy: 1.2418362080920213
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Energy: 1.2624313129772853
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Energy: 1.2831825711630038
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Energy: 1.26326253154194
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Energy: 1.2769273896044542
Energy: 1.3229181111319925
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Energy: 1.2963360500677488
Energy: 1.3268120066576354
Energy: 1.2823813635869785
Energy: 1.2310861292435389
Energy: 1.2695647484035064
Energy: 1.3109873582776608
Energy: 1.2443430174273475
Energy: 1.230002887797297
Energy: 1.256253151143191
Energy: 1.2840188095844853
Energy: 1.24833314940619
Energy: 1.2579307717277788
Energy: 1.2221124274298347
Energy: 1.3150840024075168
Energy: 1.31243417245768
Energy: 1.3000018635033488
Energy: 1.260807576672689
Energy: 1.2352478578593828
Energy: 1.2848448630353733
Energy: 1.2652951264412629
Energy: 1.298079942243819
Energy: 1.257105873196959
Energy: 1.2939520905392616
Energy: 1.3109996639027022
Energy: 1.2685651493188979
Energy: 1.2460412794195697
Energy: 1.299026107010499
Energy: 1.3144105119106635
Energy: 1.2786320683183126
Energy: 1.21499519941375
Energy: 1.224705766681107
Energy: 1.2600291361490739
Energy: 1.3058234147991148
Energy: 1.3186655383158485
Energy: 1.2620439367628296
Energy: 1.2206577568535293
Energy: 1.2829223702104502
Energy: 1.2697083155677524
Energy: 1.2175002583749184
Energy: 1.2399711337320813
Energy: 1.2476595890327387
Energy: 1.3319756318096572
Energy: 1.2830047671301832
Energy: 1.216466919236848
Energy: 1.311406091264427
Energy: 1.2146114944372897
Energy: 1.2829003830563752
Energy: 1.279765671126392
Energy: 1.2580750394467781
Energy: 1.2844309483282033
Energy: 1.2590434953794496
Energy: 1.2930699123532805
Energy: 1.2685626538740085
Energy: 1.2141798092945724
Energy: 1.2805631527497814
Energy: 1.3125245769542873
Energy: 1.4338493841946467
Energy: 1.451370388663321
Energy: 1.2142191598870904
Energy: 1.241281168333882
Energy: 1.2810410711605302
Energy: 1.21386679658859
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Energy: 1.2843373887997234
Energy: 1.2548928415999558
Energy: 1.2822596668594708
Energy: 1.251536092857331
Energy: 1.3426492140894155
Energy: 1.2144757947418092
Energy: 1.2194004992024323
Energy: 1.3298983100268262
Energy: 1.2421523608512999
Energy: 1.2633820300950225
Energy: 1.2161189821887466
Energy: 1.235383431314938
Energy: 1.2137253837185982
Energy: 1.2130185609571837
Energy: 1.278761666278732
Energy: 1.2074382442273897
Energy: 1.2011804387496476
Energy: 1.2963762391763636
Energy: 1.2515886098776248
Energy: 1.2127214275863718
Energy: 1.2637204122009258
Energy: 1.2159114283914807
Energy: 1.2527107961340587
Energy: 1.2368602813431016
Energy: 1.2368661907222105
Energy: 1.2477384034940588
Energy: 1.2515516716297934
Energy: 1.3023669267505793
Energy: 1.2567732879015001
Energy: 1.2158535569837086
Energy: 1.248963985357423
Energy: 1.2566915400479532
Energy: 1.2053475043484783
Energy: 1.2162179027119164
Energy: 1.2025071647046708
Energy: 1.2473645808213965
Energy: 1.215380154673478
Energy: 1.2147172965154243
Energy: 1.2139564260558255
Energy: 1.2771674854244262
Energy: 1.2140568863874226
Energy: 1.2543902511022187
Energy: 1.2102900292409802
Energy: 1.2128163395931522
Energy: 1.2633692703321102
Energy: 1.2264342689998193
Energy: 1.214940853199751
Energy: 1.2580752774262791
Energy: 1.2420527728180017
Energy: 1.246650966022485
Energy: 1.2396295647434277
Energy: 1.2335625146953866
Energy: 1.333611186973934
Energy: 1.2375828874294466
Energy: 1.27971558291898
Energy: 1.325719645607339
Energy: 1.2605707493373308
Energy: 1.252542399665942
Energy: 1.2416307368476165
Energy: 1.2448302309081036
Energy: 1.2383411915341602
Energy: 1.2137474045687509
Energy: 1.2538076288841042
Energy: 1.2532249100721102
Energy: 1.2629651256217833
Energy: 1.29428797481791
Energy: 1.322501231693237
Energy: 1.235556018579535
Energy: 1.2780875049737612
Energy: 1.2973745889283121
Energy: 1.276867415420747
Energy: 1.2696659993442858
Energy: 1.254442309781186
Energy: 1.2525147956606506
Energy: 1.2150397074264883
Energy: 1.2473488865141624
Energy: 1.2988612345911899
Energy: 1.238516412839155
Energy: 1.2429923390474353
Energy: 1.3524396598277137
Energy: 1.2408369411150726
Energy: 1.3690787157768154
Energy: 1.293163917117256
Energy: 1.3008594995388725
Energy: 1.2474647197534623
Energy: 1.4100360184828282
Energy: 1.2802596834814555
Energy: 1.2213139406689084
Energy: 1.2462256453149874
Energy: 1.2647939802634394
Energy: 1.2947677780581164
Energy: 1.2559575972812715
Energy: 1.265780317016932
Energy: 1.3895061489976612
Energy: 1.2273258325872838

minimum gb energy = 1.2011804387496476 eV
minimum distance =  2.25200852885887 Angstroms
sigma value = 75


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

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Energy: 1.2997102245120797
Energy: 1.2723612405939606
Energy: 1.1863739533494295
Energy: 1.2784285849839958
Energy: 1.248913252502447
Energy: 1.2393231905807354
Energy: 1.2430058467903269
Energy: 1.2479339538214655
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Energy: 1.1902250305876227
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Energy: 1.2786441086933031
Energy: 1.2204873389629927
Energy: 1.3137915311578383
Energy: 1.2438100198259374
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Energy: 1.201945663557961
Energy: 1.2413711124878335
Energy: 1.2687427299721215
Energy: 1.26280588245362
Energy: 1.2669435684037493
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Energy: 1.22496640845024
Energy: 1.230676222983491
Energy: 1.2990748854990988
Energy: 1.2630519636126238
Energy: 1.1812477331986768
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Energy: 1.242809344394095
Energy: 1.2698785170035447
Energy: 1.2696915396107364
Energy: 1.410691721661881
Energy: 1.3196992529422455
Energy: 1.261814432831107
Energy: 1.27172530714309
Energy: 1.2386694154212503
Energy: 1.233669858840521
Energy: 1.242152892233916
Energy: 1.3072722523721665
Energy: 1.2486727471192567
Energy: 1.2433459219035052
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Energy: 1.2411226200085055
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Energy: 1.2956911432058051
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Energy: 1.189989445733891
Energy: 1.3122690274356763
Energy: 1.2392188420194032
Energy: 1.2459954836312934
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Energy: 1.2491435771809185
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Energy: 1.2533100804341948
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Energy: 1.186008315655637
Energy: 1.253132160101198
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Energy: 1.2004347821395378
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Energy: 1.2591910327232168
Energy: 1.425763731464027
Energy: 1.4288268787624188
Energy: 1.4240167936878967
Energy: 1.302625545908861
Energy: 1.2797393280063754
Energy: 1.2711515787582124
Energy: 1.2525187952456058
Energy: 1.223488603207957
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Energy: 1.2381477196021045
Energy: 1.1982287705870445
Energy: 1.316174307737639
Energy: 1.252119842366081
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Energy: 1.2487074536116596
Energy: 1.252531909579604
Energy: 1.242446859435101
Energy: 1.2362713718412097
Energy: 1.198174086985237
Energy: 1.1979774865744466
Energy: 1.3193153021980306
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Energy: 1.2428596883642908
Energy: 1.2924697127202438
Energy: 1.197623643941427
Energy: 1.255117288196172
Energy: 1.196743261354584
Energy: 1.2385645191843517
Energy: 1.2488290226110712
Energy: 1.2604032574025026
Energy: 1.2589726529490441
Energy: 1.25672060448378
Energy: 1.2494304346345098
Energy: 1.294398496447298
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Energy: 1.1975287863163895
Energy: 1.2396050969046164
Energy: 1.2067389179224566
Energy: 1.2605860212767999
Energy: 1.2597644104525925
Energy: 1.2208240493025648
Energy: 1.3204896624812001
Energy: 1.3545266328184926
Energy: 1.375439822803153
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Energy: 1.3051536484528077
Energy: 1.2160967531778757
Energy: 1.2342692547033143
Energy: 1.2504098582878929
Energy: 1.229391334634694
Energy: 1.186153911296881
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Energy: 1.3189079434468747
Energy: 1.3130887123987691
Energy: 1.2653876374830606
Energy: 1.2082177955713027
Energy: 1.2374569165311526
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minimum gb energy = 1.1809246132615274 eV
minimum distance =  2.24957968680464 Angstroms
sigma value = 105


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

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Energy: 1.1626791628287947
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Energy: 1.4044751130386894
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Energy: 1.1857968409504247
Energy: 1.1854841805236047
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Energy: 1.1735047029525054
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Energy: 1.1872595600497216
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Energy: 1.2782468607392832
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Energy: 1.2598557253010316
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Energy: 1.2381036781441528
Energy: 1.2399359085936292
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Energy: 1.1556889108074142
Energy: 1.331127931498716
Energy: 1.3013670533300659
Energy: 1.2491299029859873
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Energy: 1.084393980490946
Energy: 1.1961783737424658
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Energy: 1.3974694947698065
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Energy: 1.20235375308155
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Energy: 1.2813054581639913
Energy: 1.2432109425037747
Energy: 1.129564636372093
Energy: 1.0812573330641302
Energy: 1.253995338006057
Energy: 1.1359624887074335
Energy: 1.2586226427139653
Energy: 1.2068809632785016
Energy: 1.200249722803632
Energy: 1.236735743493627
Energy: 1.2943531299052733
Energy: 1.2528464266528099
Energy: 1.2740210384724588
Energy: 1.1340671721723763
Energy: 1.4105596979666277
Energy: 1.2760868152547042
Energy: 1.1341548969722226
Energy: 1.3962638012482942
Energy: 1.4650742483311725
Energy: 1.3019649130562254
Energy: 1.196338514860534
Energy: 1.4109769751924668
Energy: 1.410432160769574
Energy: 1.408400874320576
Energy: 1.1786968019590462
Energy: 1.2516039877495437
Energy: 1.2871811782582219
Energy: 1.236949956448621
Energy: 1.1779399477270733
Energy: 1.1815138969230081
Energy: 1.230453696618285
Energy: 1.2733434408248379
Energy: 1.1892589474590112
Energy: 1.2258401142082103
Energy: 1.2358170570331442
Energy: 1.235833753799481
Energy: 1.2319236660369433
Energy: 1.2376871092436281
Energy: 1.1825638586017437
Energy: 1.279147369064102
Energy: 1.164643071890461
Energy: 1.2361056008984532
Energy: 1.1280567426129948
Energy: 1.1684480230975478
Energy: 1.1929788435540236
Energy: 1.2248544242315667
Energy: 1.1785296713557893
Energy: 1.230004324011196
Energy: 1.2389548276194324
Energy: 1.235643770707269
Energy: 1.2823242866247995
Energy: 1.2787409412294968
Energy: 1.3664923572600038
Energy: 1.1672859208187563
Energy: 1.3193922372128692
Energy: 1.241593358246036
Energy: 1.1783331454623127
Energy: 1.2184670859273548
Energy: 1.1761418213998707
Energy: 1.2235272642868797
Energy: 1.244535553302094
Energy: 1.3649672925651928
Energy: 1.284573122992626
Energy: 1.2607568649145204
Energy: 1.128861717215312
Energy: 1.3897247810552695
Energy: 1.3777635623149203
Energy: 1.1304179246410253
Energy: 1.1682693837682576
Energy: 1.2112754653456659
Energy: 1.219207125499898
Energy: 1.1444370076654924
Energy: 1.1400925802378579
Energy: 1.2445034708504368
Energy: 1.1812756730568452
Energy: 1.1766132181994748
Energy: 1.2159489997310373
Energy: 1.2204911732389967
Energy: 1.2344088394495432
Energy: 1.1719932430086795

minimum gb energy = 1.0812573330641302 eV
minimum distance =  2.28153919223739 Angstroms
sigma value = 165


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

Energy: 1.3610884192704813
Energy: 1.1995569425645256
Energy: 1.2052150252912477
Energy: 1.2288481596412675
Energy: 1.2166353292410361
Energy: 1.2035520975226117
Energy: 1.2057862991201553
Energy: 1.2038301501095494
Energy: 1.204962979785017
Energy: 1.190894694125998
Energy: 1.2218314053291333
Energy: 1.2052902521496567
Energy: 1.2769417761720494
Energy: 1.1927532634236566
Energy: 1.2755782934811604
Energy: 1.2060160773352462
Energy: 1.2034501202665504
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Energy: 1.2033751280259921
Energy: 1.216242125505795
Energy: 1.2198168278427473
Energy: 1.2320759731031288
Energy: 1.2114448479340392
Energy: 1.2686169411437929
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Energy: 1.1962975974053072
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Energy: 1.273899374250975
Energy: 1.2115021647182669
Energy: 1.26233623381494
Energy: 1.2125451559853835
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Energy: 1.2050929670757504
Energy: 1.2147453896931875
Energy: 1.2048314301268783
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Energy: 1.2197993501990918
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Energy: 1.20560713238597
Energy: 1.2043065376442583
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Energy: 1.2050359103759003
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Energy: 1.2195455276913931
Energy: 1.233274678303599
Energy: 1.2042596099985556
Energy: 1.2569131200014467
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Energy: 1.1987562991828522
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Energy: 1.204237765501547
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Energy: 1.205031523903251
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Energy: 1.2871357349347163
Energy: 1.1974618148206015
Energy: 1.1979565701832198
Energy: 1.1984636806653024
Energy: 1.2077178081542397
Energy: 1.2032894280787776
Energy: 1.2057119662292983
Energy: 1.2345297212609958
Energy: 1.2051405414928957
Energy: 1.2083290209234252
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Energy: 1.2205674897803809
Energy: 1.2164906171059813
Energy: 1.229127864822709
Energy: 1.1989161135577127
Energy: 1.1985154461960035
Energy: 1.2100144368269024
Energy: 1.206178638864085
Energy: 1.1983340389984014
Energy: 1.214905281110969
Energy: 1.218086126848701
Energy: 1.2304808505409437
Energy: 1.2334553602953222
Energy: 1.2150447122622843
Energy: 1.2687656336241822
Energy: 1.2156324789412103
Energy: 1.204837419043227
Energy: 1.2057257608733196
Energy: 1.1975665394097375
Energy: 1.221960660315319
Energy: 1.2332766748048014
Energy: 1.2191581318108349
Energy: 1.218873311119098
Energy: 1.2103020823784585
Energy: 1.2153532389164587
Energy: 1.2052722265502815
Energy: 1.2044027892659392
Energy: 1.203886149578959
Energy: 1.2128740926252242
Energy: 1.2121522759992893
Energy: 1.232667209069568
Energy: 1.219772384964871
Energy: 1.2115040107468926
Energy: 1.2040111908309068
Energy: 1.2020666050947788
Energy: 1.2027353880900493
Energy: 1.218532701463952
Energy: 1.2108082720428963
Energy: 1.2118977982635537
Energy: 1.1967217564882378
Energy: 1.2152639483870513
Energy: 1.2758932058112233
Energy: 1.2149795917136947
Energy: 1.2053598514966317
Energy: 1.2035749345353426
Energy: 1.2065748280404034
Energy: 1.1895810378111173
Energy: 1.2155438584265201
Energy: 1.2380232784747116
Energy: 1.228944177670522
Energy: 1.21185533900811
Energy: 1.2730807905062036
Energy: 1.1882871225128697
Energy: 1.188641220455492
Energy: 1.2743302556829816
Energy: 1.2311617415092517

minimum gb energy = 1.1882871225128697 eV
minimum distance =  2.27894718714981 Angstroms
sigma value = 41


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

Energy: 2.7469795335626968
Energy: 1.1696641420947467
Energy: 1.3311109950073194
Energy: 1.1260971744797155
Energy: 1.1354935010336589
Energy: 1.3097758814831115
Energy: 1.304615878717679
Energy: 1.1625101764757062
Energy: 1.2398335914072618
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Energy: 1.1803720088102978
Energy: 1.1692325477159582
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Energy: 1.379366929401366
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Energy: 1.2937687988883497
Energy: 1.1496967942345877
Energy: 1.1442862994638594
Energy: 1.3051530603023602
Energy: 1.136243662208764
Energy: 1.1353751494953352
Energy: 1.2280359164543135
Energy: 1.1656148038253082
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Energy: 1.1651478061757254
Energy: 1.1697493186167045
Energy: 1.1892068300895808
Energy: 1.142411523547442
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Energy: 1.1245594999179984
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Energy: 1.379696468189081
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Energy: 1.1231243499765982
Energy: 1.1178196844480932
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Energy: 1.1196044035123651
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Energy: 1.2177261076241976
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Energy: 1.13692080423813
Energy: 1.1218061120916718
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Energy: 1.077365508570367
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Energy: 1.1487988381377972
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Energy: 1.2748524711341664
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Energy: 1.130165533646486
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Energy: 1.1245046440782018
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Energy: 1.150884137743981
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Energy: 1.4292078379550155
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Energy: 1.2676582857898446
Energy: 1.1308079723310411
Energy: 1.1362842632711456
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Energy: 1.3171818090906078
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Energy: 1.3572630486914798
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Energy: 1.2157198425714975
Energy: 1.372131075810669
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Energy: 1.1474211168904762
Energy: 1.1574769902433963
Energy: 1.3316780736558975
Energy: 1.149646365001905
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Energy: 1.1766642546830326
Energy: 1.2428067119970077
Energy: 1.2162462481215464
Energy: 1.1567160278066277
Energy: 1.1538958670919188
Energy: 1.1538084778788533
Energy: 1.157844827030976
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Energy: 1.135537588895424
Energy: 1.2667949580854232
Energy: 1.1532766405707289
Energy: 1.3049001225443666
Energy: 1.3288258747252568
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Energy: 1.1535238662416787
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Energy: 1.1300594860462294
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Energy: 1.150900017828036
Energy: 1.135749611886851
Energy: 1.1063503237112227
Energy: 1.3182776979484685
Energy: 1.1641612059080502
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Energy: 1.2389369603542375
Energy: 1.1842938628817143
Energy: 1.1323643394805536
Energy: 1.1496668541943504
Energy: 1.3181046842783144
Energy: 1.1357201288656709
Energy: 1.2586672974235955
Energy: 1.4296887486503478
Energy: 1.078702544489432
Energy: 1.1897033137312123
Energy: 1.2703947951594488
Energy: 1.1370860652762844
Energy: 1.1619112840834909
Energy: 1.2326673356981597
Energy: 1.3180434145840998
Energy: 1.2663823509212007
Energy: 1.2585016130181592
Energy: 1.1307762626649471
Energy: 1.1267766343533125
Energy: 1.3695979083091645
Energy: 1.1540471153712735
Energy: 1.357273600138839
Energy: 1.2017591038667739
Energy: 1.3791189504390422
Energy: 1.374181388947551
Energy: 1.2260183906665076
Energy: 1.1312291209991756
Energy: 1.1309367740008531
Energy: 1.1545924855232796
Energy: 1.3221241506596593
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Energy: 1.2854651347877188
Energy: 1.2790683400440848
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Energy: 1.1415631442749037
Energy: 1.2654820188242317
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Energy: 1.1523717163074962
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Energy: 1.1315318095363918
Energy: 1.173294001407559
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Energy: 1.1356652951021402
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Energy: 1.1487471801576825
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Energy: 1.1307418938949074
Energy: 1.1323148548125719
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Energy: 1.1483664938591518
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Energy: 1.1200079232759559
Energy: 1.0765621239115055
Energy: 1.2815821642457783
Energy: 1.2663193523050496
Energy: 1.2196755745002785
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Energy: 1.126128708032946
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Energy: 1.1360542962352413
Energy: 1.2503833061105352
Energy: 1.1329252267846968
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Energy: 1.1414952591572842
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Energy: 1.3299104686226215
Energy: 1.431056515769215
Energy: 1.1204379599563459
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Energy: 1.3582611077456566
Energy: 1.2065495591513604
Energy: 1.3195631062113535
Energy: 1.224997563747841
Energy: 1.2177620355458365
Energy: 1.29418933285171
Energy: 1.1190458776540873
Energy: 1.1211974293771865
Energy: 1.2526102598497322
Energy: 1.3578845765291794
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Energy: 1.244267891791293
Energy: 1.215995823632345
Energy: 1.3622586265467262
Energy: 1.1527185817310142
Energy: 1.142542852956335
Energy: 1.1193503384700598
Energy: 1.1370440220543676
Energy: 1.3047129787312843
Energy: 1.1438053065095728
Energy: 1.142901017852505
Energy: 1.1510360513575164
Energy: 1.1242465733475087
Energy: 1.289901890856517
Energy: 1.254751516291819
Energy: 1.3919429505547565
Energy: 1.1420941907137876
Energy: 1.1424377627976883
Energy: 1.1446203414797333
Energy: 1.144257458682033
Energy: 1.1220211557217654
Energy: 1.147285297291237
Energy: 1.150437626659181
Energy: 1.2907439426797112
Energy: 1.274861689250373
Energy: 1.2345081396821098
Energy: 1.314948970739466
Energy: 1.3050005450636124
Energy: 1.1410561982203415
Energy: 1.1443054506892916
Energy: 1.1494815266106568
Energy: 1.147364900763903
Energy: 1.2907230574102013
Energy: 1.150506859272723
Energy: 1.1602031781194566
Energy: 1.134662921344736
Energy: 1.4318936755480758
Energy: 1.311477860094142
Energy: 1.1435157977676063
Energy: 1.1330494768137356
Energy: 1.3081386511274509
Energy: 1.281360058542414
Energy: 1.1555729766715859
Energy: 1.13462504933707
Energy: 1.136965312783737
Energy: 1.4230683058469653
Energy: 1.1351451460698667
Energy: 1.2343529530455626
Energy: 1.3037670039357208

minimum gb energy = 1.0765621239115055 eV
minimum distance =  2.23244885691146 Angstroms
sigma value = 185


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

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Energy: 1.2375784530250133
Energy: 1.3747328054922108
Energy: 1.2731777416950578
Energy: 1.2969716250812724
Energy: 1.4007912888979352
Energy: 1.4179456907017207
Energy: 1.342864682259333
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Energy: 1.2785679378593633
Energy: 1.3210726412762674
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Energy: 1.3445570675558538
Energy: 1.3264600725588995
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Energy: 1.3177535036268615
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Energy: 1.425958403506944
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Energy: 1.42237339649467
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Energy: 1.1711163532207356
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Energy: 1.4286591623030636
Energy: 1.2744857771874656
Energy: 1.4062885569469399
Energy: 1.3240640358671323
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Energy: 1.2488295689816793
Energy: 1.259457127594405
Energy: 1.1989130003612696
Energy: 1.2051010129278725
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Energy: 1.1764698794758461
Energy: 1.258259903281579
Energy: 1.1299782718610256
Energy: 1.3818459868317248
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Energy: 1.2753469604030265
Energy: 1.4259235875688645
Energy: 1.4239809729768746
Energy: 1.1735953432584678
Energy: 1.3952154994584436
Energy: 1.3111359409744288
Energy: 1.376512698513361
Energy: 1.2756602425577106
Energy: 1.1979137832455085
Energy: 1.2036030928319779
Energy: 1.200791035954231
Energy: 1.4118802577075804
Energy: 1.4234787860220055
Energy: 1.4185069926519611
Energy: 1.1636400040242325
Energy: 1.1653279579891727
Energy: 1.3093871282801166
Energy: 1.4053786326239555
Energy: 1.2791374732072676
Energy: 1.2834146377518951
Energy: 1.3768245459065191
Energy: 1.1704720438372955
Energy: 1.2012241075812766
Energy: 1.1763843441455994
Energy: 1.1641459990105985
Energy: 1.1911621454885493
Energy: 1.1924091481211134
Energy: 1.2764920769299815
Energy: 1.2661452686262364
Energy: 1.284926904953626
Energy: 1.4089323676095857
Energy: 1.3945265705221472
Energy: 1.4088402558454451
Energy: 1.3213041319314944
Energy: 1.321930469811936
Energy: 1.322985513101579
Energy: 1.1913585952038654
Energy: 1.299499890236006
Energy: 1.1932915147084375
Energy: 1.1965430818283738
Energy: 1.1707381597213335
Energy: 1.2427947669120194
Energy: 1.3941569425845644
Energy: 1.4104030995583885
Energy: 1.3849809012673875
Energy: 1.4552835795883732
Energy: 1.4124292123975444
Energy: 1.2730882706722817
Energy: 1.2900634568597225
Energy: 1.2765189396722882
Energy: 1.208996326338201
Energy: 1.1711879082020265
Energy: 1.1951217826534364
Energy: 1.149077850629017

minimum gb energy = 1.1299782718610256 eV
minimum distance =  2.27298545110736 Angstroms
sigma value = 33


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

Energy: 2.4937164282633133
Energy: 1.2086859931638807
Energy: 1.26786359060977
Energy: 1.1875410841357668
Energy: 1.2455139895462632
Energy: 1.3608782248578468
Energy: 1.358523078155286
Energy: 1.2073508110615576
Energy: 1.296238553948082
Energy: 1.1798025455664798
Energy: 1.1914201657038153
Energy: 1.3532838738702246
Energy: 1.3034317197199405
Energy: 1.2172689458269852
Energy: 1.2215371668622654
Energy: 1.3042018881180526
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Energy: 1.320299759891268
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Energy: 1.2322024377590588
Energy: 1.159713027575945
Energy: 1.2949790406616342
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Energy: 1.1705906265497168
Energy: 1.207001974238756
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Energy: 1.188295984765867
Energy: 1.1805502288679945
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Energy: 1.1773281262828383
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Energy: 1.293582190980752
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Energy: 1.199097896220938
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Energy: 1.2210807357743294
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Energy: 1.3650274188076128
Energy: 1.3214969979888946
Energy: 1.22268144368542
Energy: 1.1926857002091915
Energy: 1.1889467247787224
Energy: 1.3250334465053752
Energy: 1.3202207610216985
Energy: 1.217038876513826
Energy: 1.2082642316828478
Energy: 1.3030411085853706
Energy: 1.1620969804698806
Energy: 1.1923962756448019
Energy: 1.195905162503867
Energy: 1.1891138964924406
Energy: 1.1999703022086063
Energy: 1.1834383748169623
Energy: 1.2558854759379672
Energy: 1.2204209208827124
Energy: 1.2628915125908542
Energy: 1.2793189609180988
Energy: 1.178154332155843
Energy: 1.314032598745249
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Energy: 1.192510934004456
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Energy: 1.1800681616878907
Energy: 1.1858240886450695
Energy: 1.2195474036319283
Energy: 1.1918469401405891
Energy: 1.2071054994096628
Energy: 1.3587777935262295
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Energy: 1.1786629570745808
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Energy: 1.1804547581888352
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Energy: 1.1906634144753094
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Energy: 1.2819116334398308
Energy: 1.3606260759984634
Energy: 1.2626576514208858
Energy: 1.2928445143439449
Energy: 1.1791215063960694

minimum gb energy = 1.1228389099414686 eV
minimum distance =  2.27453933138852 Angstroms
sigma value = 219


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

Energy: 2.1799729975646294
Energy: 1.1341232715673395
Energy: 1.1372812961812797
Energy: 1.1332072276845897
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Energy: 1.1322350916898418
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Energy: 1.1370433853580637
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Energy: 1.1463837513428914
Energy: 1.1787718905666795
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Energy: 1.1175933343373363
Energy: 1.1343534048717119
Energy: 1.1795643816340973
Energy: 1.1327356296369413
Energy: 1.1310339588530562
Energy: 1.230873571054761
Energy: 1.095497889168366
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Energy: 1.1788113401631222
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Energy: 1.1307367468687024
Energy: 1.0955506851221168
Energy: 1.0956984556936635
Energy: 1.1341181010036845
Energy: 1.1456622483904002

minimum gb energy = 1.095497889168366 eV
minimum distance =  2.31573310485331 Angstroms
sigma value = 15


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

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Energy: 1.3462721500856698
Energy: 1.3544476709385698
Energy: 1.31894991291496
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Energy: 1.3651017996879964
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Energy: 1.5105143956477503
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minimum gb energy = 1.2944371433273694 eV
minimum distance =  2.249916396061 Angstroms
sigma value = 293


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

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Energy: 1.3673396139736145
Energy: 1.3332152495269765
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Energy: 1.341773245853671
Energy: 1.3592177128163725
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Energy: 1.3436635599767648
Energy: 1.3595069747638189
Energy: 1.351342941470039
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Energy: 1.3220822834636288
Energy: 1.3794072741773178
Energy: 1.4340138899324584
Energy: 1.4616467516393175
Energy: 1.3969772115683767
Energy: 1.3500613657441665
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Energy: 1.3799838982149986
Energy: 1.364822313863318
Energy: 1.3012480403279894
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Energy: 1.3269008250758112
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Energy: 1.3336579689596435
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Energy: 1.343491045146503
Energy: 1.339096490782534
Energy: 1.401232255455136
Energy: 1.3319579220293263
Energy: 1.3635707783833744
Energy: 1.3581148912757064
Energy: 1.3181390116738536
Energy: 1.349802121563705
Energy: 1.3472427149965773
Energy: 1.3471912966553492
Energy: 1.3582595581500274
Energy: 1.3343648702130402
Energy: 1.4521732382376042
Energy: 1.5002634902408774
Energy: 1.3319743132366675
Energy: 1.3500822199102207
Energy: 1.3670137375245097
Energy: 1.3627325030628377
Energy: 1.3676007404216783
Energy: 1.3702508598046514
Energy: 1.3658878151582616
Energy: 1.393066362982198
Energy: 1.4525195467496204
Energy: 1.4537678380486418
Energy: 1.3075752136699692
Energy: 1.3545731992519168
Energy: 1.3590180760923216
Energy: 1.4522904105776102
Energy: 1.3356365206839773
Energy: 1.3349233418992605
Energy: 1.350727683769967
Energy: 1.369228656420421
Energy: 1.3699508150384683
Energy: 1.3643668132678233
Energy: 1.3469651164704666
Energy: 1.3653454115933674
Energy: 1.4373759312518342
Energy: 1.3633102610513692
Energy: 1.3325378049024499
Energy: 1.3628797836566335
Energy: 1.3455606198827033
Energy: 1.4001626899366177
Energy: 1.4256761225293597
Energy: 1.2906468953278107
Energy: 1.3067258555738304
Energy: 1.3617968831225915
Energy: 1.3636003100235823
Energy: 1.3581557960755528
Energy: 1.3388735133413476
Energy: 1.3416951563382764
Energy: 1.3333305639643847
Energy: 1.3348294145922206
Energy: 1.3136778832330966
Energy: 1.291226742075388
Energy: 1.3328203607000337
Energy: 1.3149104130112963
Energy: 1.3290186689803756
Energy: 1.4373319884034772
Energy: 1.437016203325671
Energy: 1.5008742831945536
Energy: 1.402540313953948
Energy: 1.3472549692428601
Energy: 1.3117073827397867
Energy: 1.314445110531236
Energy: 1.3324823328289574
Energy: 1.3547305867451305
Energy: 1.3449354501586583
Energy: 1.4517932570910712
Energy: 1.3803561151505526
Energy: 1.2938930673701212
Energy: 1.335090655558307
Energy: 1.3391868263710525
Energy: 1.3157471245921335
Energy: 1.2963045080329643
Energy: 1.3071168004997038
Energy: 1.3581744912152096
Energy: 1.3347707625960066
Energy: 1.3668097487446857
Energy: 1.3322855879306714

minimum gb energy = 1.2876243764964066 eV
minimum distance =  2.26384794732545 Angstroms
sigma value = 293


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

Energy: 1.7115793650870281
Energy: 1.2096663743284928
Energy: 1.2094101952149388
Energy: 1.2098751936853642
Energy: 1.2089225632353864
Energy: 1.3746467811261502
Energy: 1.2096562171476541
Energy: 1.2096692826145532
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Energy: 1.2085516332429183
Energy: 1.2095557514072863
Energy: 1.3286149280707207
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Energy: 1.3377898866473037
Energy: 1.3752146486462953
Energy: 1.2090415235878733
Energy: 1.3362992834088978
Energy: 1.4215418425756767
Energy: 1.2093001005855641
Energy: 1.2098945244290382
Energy: 1.3950872409460282
Energy: 1.3251680932020407
Energy: 1.3368624121318318
Energy: 1.2095655552606535
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Energy: 1.2090007994843903
Energy: 1.2082026112032815
Energy: 1.1198462889410057
Energy: 1.1179185873467896
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Energy: 1.3389493290986954
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Energy: 1.392781657137053
Energy: 1.3951352836406952
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Energy: 1.2081019654855054
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Energy: 1.2093777730971433
Energy: 1.2089781022676886
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Energy: 1.3362862950586278
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Energy: 1.3299329930500279
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Energy: 1.2097961603473855
Energy: 1.210315758213471
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Energy: 1.210323873607484
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Energy: 1.2100032041246602
Energy: 1.1211389718179012
Energy: 1.11828477672468
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Energy: 1.209323039907984
Energy: 1.2095767561272368
Energy: 1.2033892626143152
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Energy: 1.3264380111558034
Energy: 1.1894780105609446
Energy: 1.2107259343350176
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Energy: 1.2101484148386468
Energy: 1.2091930597599474
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Energy: 1.3923412594416593
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Energy: 1.3929705694782353
Energy: 1.2069890055008639
Energy: 1.2090622710812426
Energy: 1.1182903130761421
Energy: 1.209224667846863
Energy: 1.207595520842957
Energy: 1.1173502969636866
Energy: 1.1180336252775394
Energy: 1.3282030213127807
Energy: 1.4234872372624454
Energy: 1.189804473883256
Energy: 1.3757852625906852
Energy: 1.2091743121515834
Energy: 1.2076826813508654
Energy: 1.2112463736835715
Energy: 1.3389534190499677
Energy: 1.5064229778345926
Energy: 1.1173243545532956
Energy: 1.205936655286208
Energy: 1.2106897434935695
Energy: 1.393272342080832
Energy: 1.2102365949752245
Energy: 1.2090817426607754
Energy: 1.2085947099028815
Energy: 1.3373040928380209
Energy: 1.2098032643710592
Energy: 1.2077099847311588
Energy: 1.394326306697013
Energy: 1.3732451879478504
Energy: 1.210309216916606
Energy: 1.3917954290923273
Energy: 1.395908388752703
Energy: 1.3275046783132756
Energy: 1.2089807888127926
Energy: 1.2065196372982885
Energy: 1.2087988552659608
Energy: 1.3251654655232437
Energy: 1.3403982062269557
Energy: 1.2084533275943474
Energy: 1.2082292062713569
Energy: 1.2113898331881348
Energy: 1.3302116374726076
Energy: 1.2107804756936704
Energy: 1.3404034389064836
Energy: 1.3694955050957593
Energy: 1.2101604724425619
Energy: 1.2098720660306224
Energy: 1.2094733077568998
Energy: 1.117872942341103
Energy: 1.5042964154863643
Energy: 1.2088063679950298
Energy: 1.2101072498555818
Energy: 1.3171409640890004
Energy: 1.2082228672884587
Energy: 1.2029240824953993
Energy: 1.2089942387205046
Energy: 1.3746880162541106
Energy: 1.3390870341288859
Energy: 1.1191897093147058
Energy: 1.2086598903274912
Energy: 1.3746024707338593
Energy: 1.208908943728863
Energy: 1.2091182665523141
Energy: 1.3913245677624666
Energy: 1.3290032108382694
Energy: 1.2094530172775384
Energy: 1.2104589601630578
Energy: 1.211183499461111
Energy: 1.2074199557023424
Energy: 1.420273668053548
Energy: 1.1193149903954311
Energy: 1.2103592332045705
Energy: 1.4243908016785947
Energy: 1.393843312775616
Energy: 1.20811162395948
Energy: 1.2052830063487494
Energy: 1.2089239779987493
Energy: 1.332027588663451
Energy: 1.209543997871413
Energy: 1.2092299644109117

minimum gb energy = 1.1137890992007162 eV
minimum distance =  2.36332910270874 Angstroms
sigma value = 15


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

Energy: 1.5143485700239558
Energy: 1.2887661791144085
Energy: 1.2868537743656014
Energy: 1.3050295235749978
Energy: 1.2739498246510443
Energy: 1.2953641654152679
Energy: 1.2692714486071148
Energy: 1.2718099995285503
Energy: 1.2871847898468616
Energy: 1.2678885458484672
Energy: 1.3419642901935804
Energy: 1.4000010635452234
Energy: 1.299519283069356
Energy: 1.2729482833078265
Energy: 1.232051900097709
Energy: 1.290821342897046
Energy: 1.2634396480496715
Energy: 1.2684557146521926
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Energy: 1.3899693109124964
Energy: 1.3405620061430923
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Energy: 1.291021093770181
Energy: 1.3197039077381296
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Energy: 1.3282995310110106
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Energy: 1.2635666696258092
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Energy: 1.3215553059112328
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Energy: 1.4093514507955585
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Energy: 1.2909586588737205
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Energy: 1.2947587367963511
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Energy: 1.2812159131519623
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Energy: 1.2614312286554874
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Energy: 1.2906177329328423
Energy: 1.3089920038069303
Energy: 1.3917230378728087
Energy: 1.3987831486206652
Energy: 1.3952935538847715
Energy: 1.2738563638620788
Energy: 1.2929012670351852
Energy: 1.3600118950841245
Energy: 1.302858439664814
Energy: 1.268189629767624
Energy: 1.2689450918460856
Energy: 1.3026567780767833
Energy: 1.392905625732604
Energy: 1.3275426160068324
Energy: 1.391984252742801
Energy: 1.2911520748406935
Energy: 1.2720013021621366
Energy: 1.275313371210461
Energy: 1.2904573363700123
Energy: 1.2627253220420176
Energy: 1.271786813843133
Energy: 1.290005939810026
Energy: 1.270193741525151
Energy: 1.3239222876570196
Energy: 1.2872876269535705
Energy: 1.288520202750758
Energy: 1.3021893047638706
Energy: 1.273997187190557
Energy: 1.2907013404155756
Energy: 1.2624272583834277
Energy: 1.2697301299496084
Energy: 1.2698438369283418
Energy: 1.3899151393448792
Energy: 1.2787423277527696
Energy: 1.333781919427647
Energy: 1.298956061329362
Energy: 1.2614277763091337
Energy: 1.234622772069166
Energy: 1.286657827367597
Energy: 1.2683064078015458
Energy: 1.2617700789560147
Energy: 1.3278531488332632
Energy: 1.3955594941481715
Energy: 1.435342988507101
Energy: 1.372890906288083
Energy: 1.3652673361139627
Energy: 1.2750536873847715
Energy: 1.290672681981816
Energy: 1.2863294628998956
Energy: 1.3425761677710242
Energy: 1.2777867777228578
Energy: 1.2812725802007365
Energy: 1.3883766679967773
Energy: 1.263356230789547
Energy: 1.3963379180719717
Energy: 1.3987177678029692
Energy: 1.3207826075517908
Energy: 1.3198733267079379
Energy: 1.2900778152738417
Energy: 1.3213769090622491
Energy: 1.329078353968103
Energy: 1.348922650195729
Energy: 1.2627484526569959
Energy: 1.2670553570219198
Energy: 1.2895128437391727
Energy: 1.2633770558132826
Energy: 1.2783827680108792
Energy: 1.302335921704605
Energy: 1.2894291490736514
Energy: 1.3087965039461713
Energy: 1.3108993376085631
Energy: 1.3476789692473616
Energy: 1.3504325777047488
Energy: 1.3213210545237661
Energy: 1.3893208385041307
Energy: 1.3522664495815906
Energy: 1.3877785302089827
Energy: 1.4058360504928462
Energy: 1.2874034520719346
Energy: 1.2877432310820334
Energy: 1.3976317230459332
Energy: 1.285716348465024
Energy: 1.3476987287901951
Energy: 1.3333517012828737
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Energy: 1.349519483667969
Energy: 1.3457853762773757
Energy: 1.3862224734094277
Energy: 1.2866357122741017
Energy: 1.3093889290675178
Energy: 1.308301778855416
Energy: 1.285426783047758
Energy: 1.2910823009751775
Energy: 1.2397044702799087
Energy: 1.2742554485331954
Energy: 1.288721415867076
Energy: 1.2603831743253764
Energy: 1.2940811357883157
Energy: 1.2943885849583503
Energy: 1.2874371953254449
Energy: 1.39799315397583
Energy: 1.326022044990173
Energy: 1.3846679974232485
Energy: 1.3427146969368593
Energy: 1.349348059020671
Energy: 1.3586952505871046
Energy: 1.3459143124755728
Energy: 1.284395398022463
Energy: 1.34631097240647
Energy: 1.309138767585421
Energy: 1.3103820801065516
Energy: 1.2881198001602046
Energy: 1.318728011753005
Energy: 1.3410512349317594
Energy: 1.3526032280934568
Energy: 1.3449248137422354
Energy: 1.343592332869497
Energy: 1.3517053714216594
Energy: 1.3508888955993437
Energy: 1.3343630372225745
Energy: 1.2790576030892413
Energy: 1.2889318183368146
Energy: 1.3028793549314421
Energy: 1.2782426358166212
Energy: 1.2657603143156149
Energy: 1.3277343236458083
Energy: 1.2626826261975406
Energy: 1.2959783489333683
Energy: 1.298952041670457
Energy: 1.2627449704352935
Energy: 1.2987032727119512
Energy: 1.2878952732499935
Energy: 1.3201180164278872
Energy: 1.2701744781878566
Energy: 1.3956350260549975
Energy: 1.413036325720455
Energy: 1.2785616445963845
Energy: 1.264055641041399
Energy: 1.3281298420481251
Energy: 1.2636153726077342
Energy: 1.2654024813221736
Energy: 1.3179261779211537
Energy: 1.2916437050848584
Energy: 1.2743642791440815
Energy: 1.3858836285558265
Energy: 1.3515355608797788
Energy: 1.4288591860965265
Energy: 1.3755359153045519
Energy: 1.2993320929221504
Energy: 1.2684124630877245
Energy: 1.2631136688247477
Energy: 1.2911221713766703
Energy: 1.2863140799849755
Energy: 1.263515512969093
Energy: 1.2969630291596577
Energy: 1.3619582462713198
Energy: 1.3423473480607435
Energy: 1.390287068040421
Energy: 1.288610707827391
Energy: 1.2688327609544965
Energy: 1.2684500817664788
Energy: 1.333735139184543
Energy: 1.259907304691725
Energy: 1.305159254611242
Energy: 1.245101285093711
Energy: 1.2908730675552358
Energy: 1.2614419547050126
Energy: 1.2652142992296853
Energy: 1.3465463184736326
Energy: 1.2952394055972254
Energy: 1.2795614349792537
Energy: 1.3023000663966708
Energy: 1.2757766055009117
Energy: 1.2737477009088907
Energy: 1.2918053610132623
Energy: 1.3906454062383724
Energy: 1.3452597073937704
Energy: 1.4283439831106872
Energy: 1.3120078512801048
Energy: 1.3154821881142973
Energy: 1.2622818209137028
Energy: 1.3039782318522388
Energy: 1.3613711277879148
Energy: 1.2817620834213292
Energy: 1.2740117063052614
Energy: 1.3970165472524982
Energy: 1.340382720890254
Energy: 1.372129051173426
Energy: 1.356469781017996
Energy: 1.3014627649187924
Energy: 1.3629515873204023
Energy: 1.3023321196923259
Energy: 1.3052269310550364
Energy: 1.2912621605347008
Energy: 1.24135646913504
Energy: 1.4811055528628148
Energy: 1.293309215891531
Energy: 1.3887678152504965
Energy: 1.328377458143979
Energy: 1.2740285297166656
Energy: 1.2721109307109186
Energy: 1.3077512373548412
Energy: 1.3060621983323155
Energy: 1.36932394371227
Energy: 1.3946507071454595
Energy: 1.2741592910872952
Energy: 1.283080739996989
Energy: 1.3233260129065192
Energy: 1.2902220527926034
Energy: 1.3925576086185016
Energy: 1.3910012782529615
Energy: 1.3025882387658945
Energy: 1.2712464796374532
Energy: 1.3025633955823122
Energy: 1.3927019742321998
Energy: 1.391183238169464
Energy: 1.3263097857984516
Energy: 1.4003758509209765
Energy: 1.2807170903160756
Energy: 1.3165298617172883
Energy: 1.3891344877564256
Energy: 1.3291450423513547
Energy: 1.2648476820916188
Energy: 1.3045328333269812
Energy: 1.293619273127279
Energy: 1.2937170622814376
Energy: 1.332863656511681
Energy: 1.3560780752233978
Energy: 1.2723540840172363
Energy: 1.2570288583422857
Energy: 1.3639658595454365
Energy: 1.2943697091708746
Energy: 1.326884493923696
Energy: 1.302573379731484
Energy: 1.2691236327231044
Energy: 1.2706080885885689
Energy: 1.4122686017530286
Energy: 1.273004228780736
Energy: 1.3993608587980146
Energy: 1.3758489321594654
Energy: 1.2739212820018009
Energy: 1.2696065570004564
Energy: 1.3598775152692582
Energy: 1.3607787707385413
Energy: 1.3624812337290793
Energy: 1.2912257174082356
Energy: 1.3112707255418854
Energy: 1.3916030102942265
Energy: 1.3407734868108718
Energy: 1.391953780577366
Energy: 1.2909608150925742
Energy: 1.2717053964198504
Energy: 1.2751254119785218
Energy: 1.3019401254098735
Energy: 1.2692083594865613
Energy: 1.2693741339281668
Energy: 1.288763296180692
Energy: 1.3523821933211317
Energy: 1.300989200408907
Energy: 1.3103569545692515
Energy: 1.32505949269225
Energy: 1.2921445763859913
Energy: 1.273451026932742
Energy: 1.2947563726645734
Energy: 1.2631504949412087
Energy: 1.279608565129541
Energy: 1.2904414260093888
Energy: 1.2702405220481467

minimum gb energy = 1.2315999883799558 eV
minimum distance =  2.28938847271394 Angstroms
sigma value = 437


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

Energy: 1.461819710002465
Energy: 1.2363481257982452
Energy: 1.237196258096444
Energy: 1.3064019345320375
Energy: 1.3265213236411197
Energy: 1.3385702410885156
Energy: 1.3030256119890073
Energy: 1.2828718970201904
Energy: 1.2366794589682615
Energy: 1.2025127159192972
Energy: 1.46919404501207
Energy: 1.2290644149692447
Energy: 1.329561556529515
Energy: 1.2859101661071386
Energy: 1.2825632034808314
Energy: 1.2363514155997002
Energy: 1.28109538699166
Energy: 1.3077643922926834
Energy: 1.2699771807297846
Energy: 1.229846426223046
Energy: 1.490568688132239
Energy: 1.272481241500386
Energy: 1.2294307135404423
Energy: 1.4661837105842794
Energy: 1.279582604683924
Energy: 1.2749789144096229
Energy: 1.281657101350111
Energy: 1.2790193837630925
Energy: 1.2403260752520406
Energy: 1.277277215728837
Energy: 1.3025644218234487
Energy: 1.272332207056514
Energy: 1.3145746681708044
Energy: 1.3325054436279127
Energy: 1.2979760000686238
Energy: 1.276542494541636
Energy: 1.2849930445050042
Energy: 1.2754385135598851
Energy: 1.2907945151908113
Energy: 1.2727676643241423
Energy: 1.3215855606944897
Energy: 1.297599861293601
Energy: 1.2127392673388036
Energy: 1.3093456032966397
Energy: 1.1521950202081337
Energy: 1.236101844204955
Energy: 1.3298317763352618
Energy: 1.2747176467693668
Energy: 1.2342968601495596
Energy: 1.2387960185737075
Energy: 1.2328175549662657
Energy: 1.2299491911706566
Energy: 1.1940073660962665
Energy: 1.4750156991732253
Energy: 1.2886155052863397
Energy: 1.2785083030907871
Energy: 1.2769643181191546
Energy: 1.2881532225356764
Energy: 1.2296937711943814
Energy: 1.2297928119095136
Energy: 1.2338765937444252
Energy: 1.1504846450931023
Energy: 1.2119107348807598
Energy: 1.318592863986688
Energy: 1.277002608878246
Energy: 1.19143118558458
Energy: 1.2077920679599725
Energy: 1.2075348954889198
Energy: 1.154867295188049
Energy: 1.1502024144159038
Energy: 1.2372787384441168
Energy: 1.1495850178523082
Energy: 1.1532316942814953
Energy: 1.2614123287766188
Energy: 1.1800959709855248
Energy: 1.149702662396299
Energy: 1.2855186605722062
Energy: 1.2761461369550111
Energy: 1.1516356753904209
Energy: 1.1508807250796325
Energy: 1.3834282072850659
Energy: 1.2282657692434154
Energy: 1.2376050959636908
Energy: 1.4729305933526555
Energy: 1.2333449196444086
Energy: 1.2345356661494942
Energy: 1.279767931209547
Energy: 1.3528912455888795
Energy: 1.1917593326597185
Energy: 1.2122109282161455
Energy: 1.2799579660520075
Energy: 1.2363870652072915
Energy: 1.2293607237146191
Energy: 1.3126266999880245
Energy: 1.1939330015542784
Energy: 1.2856926889825673
Energy: 1.2735961829240756
Energy: 1.2779020533104766
Energy: 1.2460211806463186
Energy: 1.2356177328861482
Energy: 1.312722883098564
Energy: 1.2110564323517377
Energy: 1.297522721335701
Energy: 1.2748132160035914
Energy: 1.2805903530695393
Energy: 1.2796802003276222
Energy: 1.2004979103254996
Energy: 1.3660279396565018
Energy: 1.3136100272362605
Energy: 1.2639882269119789
Energy: 1.3362943078193263
Energy: 1.276665681715611
Energy: 1.2592472594025896
Energy: 1.3667892407439175
Energy: 1.2004594332695173
Energy: 1.2326923177475035
Energy: 1.2849121769333642
Energy: 1.2809423985415125
Energy: 1.2295034589622391
Energy: 1.374684286006935
Energy: 1.3121061080684995
Energy: 1.2294571596848338
Energy: 1.230723351121754
Energy: 1.4646563551427048
Energy: 1.3487872471959939
Energy: 1.278015499175976
Energy: 1.288606578731901
Energy: 1.3028956154971625
Energy: 1.2354183092275575
Energy: 1.283606918995563
Energy: 1.5014623403387028
Energy: 1.2354613142531752
Energy: 1.2825185638330336
Energy: 1.304763559942252
Energy: 1.327069988139757
Energy: 1.283917774562712
Energy: 1.327750294689956
Energy: 1.281951753003082
Energy: 1.2838545127005667
Energy: 1.201080677566462

minimum gb energy = 1.1495850178523082 eV
minimum distance =  2.29714699916028 Angstroms
sigma value = 33