Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645762205124
cohesive_energy=4.2905471300555265
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.3413364624292e-19, 5.56642625773986e-19, 5.76580111807482e-19, 5.942585287870379e-19, 6.09914998854486e-19, 6.2374338538253995e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016149269485822116
Energy: 1.3456739292471698
Energy: 1.2659206774119207
Energy: 0.016829922499628343
Energy: 0.016647340947327997
Energy: 1.345790642570062
Energy: 0.01639600260485649
Energy: 0.17462787071267474
Energy: 0.21630670032875512
Energy: 0.1741229372617422
Energy: 0.17488236063812204
Energy: 0.21455366744296445
Energy: 0.21496776065847795
Energy: 0.1743473990768275
Energy: 0.17471701898777123
Energy: 0.21490731741525015
Energy: 0.214606003908445
Energy: 0.1746937394274427
Energy: 0.1745018369333165
Energy: 0.21504033309456208
Energy: 0.17421719307905445
Energy: 0.1751943124355504
Energy: 0.21479783695483648
Energy: 0.2156973904971333
Energy: 0.17444988713183984
Energy: 0.1751714503513548
Energy: 0.21557489296822735
Energy: 0.174213145729546
Energy: 0.17442554646630007
Energy: 0.21528352334719578
Energy: 0.174244526755095
Energy: 0.17466993207149376
Energy: 0.1744185277162578
Energy: 0.21464534819603473
Energy: 0.17437162903558925
Energy: 0.01667220814102089
Energy: 0.21473990128660345
Energy: 0.17413924557800134
Energy: 0.017051580812775267
Energy: 0.017152416508576775
Energy: 0.21524886813225388
Energy: 0.17470026196812116

minimum gb energy = 0.016149269485822116 eV
minimum distance =  2.44919590596534 Angstroms
sigma value = 5


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

Energy: 2.4229294961316485
Energy: 1.3275047205603099
Energy: 1.2169952839340352
Energy: 1.3449271095347863
Energy: 1.3443988159304303
Energy: 1.2173162532611441
Energy: 1.1930979958982189
Energy: 1.2419171609117523
Energy: 1.1884511080938036
Energy: 1.2228983373135418
Energy: 1.2377338920575711
Energy: 1.185704213696172
Energy: 1.1652144257990253
Energy: 1.200196214006734
Energy: 1.1954296665517639
Energy: 1.2432639966103933
Energy: 1.2207369908462997
Energy: 1.2056385226357378
Energy: 1.2141533816038146
Energy: 1.245419619669656
Energy: 1.2057908754779736
Energy: 1.1945895664801756
Energy: 1.2375676418532284
Energy: 1.2133487367932028
Energy: 1.1940350459885045
Energy: 1.213536181106283
Energy: 1.223255641042849
Energy: 1.2023554473526892
Energy: 1.1921528463586717
Energy: 1.230218849216772
Energy: 1.213513405122197
Energy: 1.2019336905754812
Energy: 1.2077113193044393
Energy: 1.2229131798822175
Energy: 1.204015176297614
Energy: 1.239468385253681
Energy: 1.2072320990403347
Energy: 1.2051714639522644
Energy: 1.220560312558252
Energy: 1.2400460857171032
Energy: 1.195825267862525
Energy: 1.2154470372286466
Energy: 1.2391026600364328
Energy: 1.1953777330478383
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Energy: 1.2281932927831123
Energy: 1.20786553833348
Energy: 1.195866757434204
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Energy: 1.2362144978396468
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Energy: 1.2210030358866701
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Energy: 1.1703748606619615
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Energy: 1.1967020369815595
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Energy: 1.2230709550301215
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Energy: 1.2083952284113753
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Energy: 1.1866219678715775
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Energy: 1.180612553266852
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Energy: 1.1906908431187617
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Energy: 1.1482390450467248
Energy: 1.171683005813778
Energy: 1.2009837308626112
Energy: 1.1488433466584589
Energy: 1.1665471292403966
Energy: 1.2129929303734954
Energy: 1.1851866948308414
Energy: 1.2403249515693129
Energy: 1.1438528801648638
Energy: 1.126504712244941
Energy: 1.2393408335868807
Energy: 1.2080499675360268
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Energy: 1.1273638192579738
Energy: 1.2273556338950269
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Energy: 1.1295209148558099
Energy: 1.2476688076157192
Energy: 1.1717159077367532
Energy: 1.1373753980263142
Energy: 1.1465720374896349
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Energy: 1.1282086561100058
Energy: 1.1759315555191159
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Energy: 1.2390262257426667
Energy: 1.1767904711101262
Energy: 1.147836397770925
Energy: 1.1382054126703258
Energy: 1.1903599644998872
Energy: 1.1448996936955853
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Energy: 1.1687615863080418
Energy: 1.2241901886218616
Energy: 1.2918303352384168
Energy: 1.2033995194803078
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Energy: 1.1628115992815165
Energy: 1.1273341196592948
Energy: 1.1862488587494253
Energy: 1.1712418229283976
Energy: 1.1423841409754059
Energy: 1.1230943347732656
Energy: 1.1868001086300928
Energy: 1.1566401298350677
Energy: 1.1230656693240852
Energy: 1.1785646391264748
Energy: 1.176920612141822
Energy: 1.1722204571324444
Energy: 1.171820954794579
Energy: 1.2111148343477567
Energy: 1.1749087569382757
Energy: 1.1843468675810027
Energy: 1.226498128485698
Energy: 1.1567016204323417
Energy: 1.1704611765221278
Energy: 1.1689354810642105
Energy: 1.155126366555243
Energy: 1.1731483594861272
Energy: 1.186154239244259
Energy: 1.1717687340373544
Energy: 1.1636336997388896
Energy: 1.1663969217552872
Energy: 1.1782863348665866
Energy: 1.1604568100297208
Energy: 1.1752728024628847
Energy: 1.1910248410373412
Energy: 1.1752417637604995
Energy: 1.2035850515527504
Energy: 1.2075029025666109
Energy: 1.1707502493421436
Energy: 1.1930378509707986
Energy: 1.2049552633483114
Energy: 1.1836680616878164
Energy: 1.232713704873834
Energy: 1.192123039689333
Energy: 1.2407221816181868
Energy: 1.2170637090597185
Energy: 1.1933250545929504
Energy: 1.2001611583702885
Energy: 1.2205614235446258
Energy: 1.2071875872919478
Energy: 1.1918551648876021
Energy: 1.2372771201435315
Energy: 1.217729818764983
Energy: 1.2029391385523298
Energy: 1.2128030591616963
Energy: 1.229392002907712
Energy: 1.2036201655120213
Energy: 1.1915889756665827
Energy: 1.159194050680661
Energy: 1.217963237398439
Energy: 1.2285396299182572
Energy: 1.2239190934431259
Energy: 1.2326306425279687
Energy: 1.241005750264509
Energy: 1.1980309547478079
Energy: 1.21830401470111
Energy: 1.1529367720239938
Energy: 1.157276338624611
Energy: 1.1574541764018165
Energy: 1.1701767126360287
Energy: 1.1876568029207588

minimum gb energy = 1.1230656693240852 eV
minimum distance =  2.31102998161826 Angstroms
sigma value = 401


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

Energy: 2.1346858005125693
Energy: 1.2787989080899667
Energy: 1.3501250131734508
Energy: 1.180810666716074
Energy: 1.1849154534883917
Energy: 1.2794309363831509
Energy: 1.232518867905997
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Energy: 1.2007165743045094
Energy: 1.2084563532090022
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Energy: 1.1661177665442135
Energy: 1.1754242235920307
Energy: 1.2167924898365066
Energy: 1.173528416394014
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Energy: 1.2231470531384614
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Energy: 1.1703428566439122
Energy: 1.1863139000623721
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Energy: 1.1810568059699287
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Energy: 1.1840813218948798
Energy: 1.195380339416853
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Energy: 1.1708677260277578
Energy: 1.2814191186897368
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Energy: 1.2708217301260303
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Energy: 1.3116483351670527
Energy: 1.2449958425128629
Energy: 1.338336470956307
Energy: 1.2595752820385908
Energy: 1.2718433406758642
Energy: 1.335780970762271
Energy: 1.2847188882042322
Energy: 1.2596863681647954
Energy: 1.2885656516165402
Energy: 1.3469924023446507
Energy: 1.2621859509745414
Energy: 1.2758092284777538
Energy: 1.2692660595271459
Energy: 1.2818846788941725
Energy: 1.2625619397243397
Energy: 1.268979319631036
Energy: 1.193254964013519
Energy: 1.225500584782212
Energy: 1.2626289314948633
Energy: 1.2131379761755603
Energy: 1.2446202468359393
Energy: 1.2102628891962102
Energy: 1.2639649985822314
Energy: 1.2652118929495226
Energy: 1.2307919412234343
Energy: 1.1814000135685387
Energy: 1.1762438488747677
Energy: 1.2873103357184255
Energy: 1.1758701130578908
Energy: 1.191905771318143
Energy: 1.223681654553981
Energy: 1.2304553178319393
Energy: 1.2614578960781833
Energy: 1.2264486126588097
Energy: 1.2543003896488873
Energy: 1.2121112236439262
Energy: 1.2644568886481622
Energy: 1.3806701953316634
Energy: 1.2632885972010695
Energy: 1.2515373606246805
Energy: 1.2584169960357707
Energy: 1.2927874960483552
Energy: 1.2848708905003936
Energy: 1.2691199908062447
Energy: 1.338008390387936
Energy: 1.2771047026055462
Energy: 1.2500036433134176
Energy: 1.2529012103640134
Energy: 1.281097931504434
Energy: 1.2503892816360884
Energy: 1.2515029401810533
Energy: 1.3262405807535353
Energy: 1.282499848233965
Energy: 1.283907587231051
Energy: 1.2703300637118853
Energy: 1.2369591411306704
Energy: 1.2885503032950811
Energy: 1.2519693015107467
Energy: 1.221243794098307
Energy: 1.223539698037793
Energy: 1.2102642445358442
Energy: 1.2046426213320092
Energy: 1.24024783632744
Energy: 1.2451914229227972
Energy: 1.2101232871980636
Energy: 1.2201238740043168
Energy: 1.2293142763572553
Energy: 1.2077780294042926
Energy: 1.1961268450301792
Energy: 1.2457962694414968
Energy: 1.2543492896277404
Energy: 1.19558490171469
Energy: 1.2179458817915039
Energy: 1.2262291259987321
Energy: 1.2180832283684522
Energy: 1.2241585433580457
Energy: 1.2312293954256404
Energy: 1.2218450908112404
Energy: 1.2069446248600377
Energy: 1.232076780473817
Energy: 1.2617195288506409
Energy: 1.368351086926575
Energy: 1.232485731295213
Energy: 1.2322555779483322
Energy: 1.280201381922537
Energy: 1.2344163607733514
Energy: 1.2309562743859845
Energy: 1.179988338331722
Energy: 1.3551601575067673
Energy: 1.242640584657091
Energy: 1.234533114067712
Energy: 1.3043074864446398
Energy: 1.2950670631396457
Energy: 1.2332756532625258
Energy: 1.2210505327347978
Energy: 1.3417194355070368
Energy: 1.2313741469216235
Energy: 1.2331163058758832
Energy: 1.2358970685605957
Energy: 1.2305599955429798
Energy: 1.1431313396453773
Energy: 1.2198181546249514
Energy: 1.301167246125792
Energy: 1.1434979499004405
Energy: 1.1465942849148167
Energy: 1.238683428248418
Energy: 1.2420816869337203

minimum gb energy = 1.1431313396453773 eV
minimum distance =  2.26934626307622 Angstroms
sigma value = 311


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

Energy: 1.2564489300906867
Energy: 1.2585616844874006
Energy: 1.3262912867643437
Energy: 1.3345984355481604
Energy: 1.306202457687256
Energy: 1.3192717160199356
Energy: 1.3231646561126642
Energy: 1.1246591295874737
Energy: 1.1207067354270586
Energy: 1.1177455323594687
Energy: 1.1186192852356545
Energy: 1.1181417700030867
Energy: 1.1172670510282363
Energy: 1.1170701414997062
Energy: 1.1166915225155933
Energy: 1.1174361005310653
Energy: 1.1187281181050102
Energy: 1.118863624156127
Energy: 1.1186134197429662
Energy: 1.1168728205207321
Energy: 1.1200117063603225
Energy: 1.1753083960122501
Energy: 1.1755125546218808
Energy: 1.1750126687400562
Energy: 1.1774406047503136
Energy: 1.2061671101258926
Energy: 1.20753725320851
Energy: 1.1856902298750487
Energy: 1.126183917115361
Energy: 1.1268818512492165
Energy: 1.1278487013341576
Energy: 1.1316149178296897
Energy: 1.1313573807217638
Energy: 1.1315040399821936
Energy: 1.1327670543436932
Energy: 1.2139635519347678
Energy: 1.2254576554675127
Energy: 1.2201398475397696
Energy: 1.230737532872636
Energy: 1.2305263238990156
Energy: 1.229313347929328
Energy: 1.2300787575267604
Energy: 1.2175031353700292
Energy: 1.2231712447441612
Energy: 1.2239524996940774
Energy: 1.2264747726134024
Energy: 1.2280381633582562
Energy: 1.2284196816965134
Energy: 1.2292529448023504
Energy: 1.1207201378862686
Energy: 1.1191755950018218
Energy: 1.1208055160043244
Energy: 1.120969053080753
Energy: 1.1176033873418068
Energy: 1.1181789817275851
Energy: 1.1168597920045737
Energy: 1.224309952103072
Energy: 1.2298364945454396
Energy: 1.231119923553478
Energy: 1.2316421264529196
Energy: 1.2328411480126669
Energy: 1.1212295557901757
Energy: 1.1213041449331889
Energy: 1.2243075615807875
Energy: 1.2238894893009227
Energy: 1.2193478436318297
Energy: 1.2385956512494583
Energy: 1.2430667985123423
Energy: 1.219360130837654
Energy: 1.222066948528324
Energy: 1.1302467916692158
Energy: 1.1180711918332362
Energy: 1.1188356131045927
Energy: 1.1194865652078079
Energy: 1.1176374803526719
Energy: 1.1169663757460029
Energy: 1.1171578874106982
Energy: 1.2595213672159333
Energy: 1.2581850808685378
Energy: 1.1626468093312419
Energy: 1.2630241929365733
Energy: 1.2968161911158698
Energy: 1.2698040668706005
Energy: 1.2604194665920376
Energy: 1.2589923559858134
Energy: 1.2578572516842346
Energy: 1.2915341639279874
Energy: 1.2911547477425165
Energy: 1.2910094444921902
Energy: 1.2962396131188954
Energy: 1.2959800588582726
Energy: 1.1271459653460816
Energy: 1.1191602288746678
Energy: 1.117694327351657
Energy: 1.1166740987358372
Energy: 1.1193126181725128
Energy: 1.118878176376545
Energy: 1.1173144576716632
Energy: 1.1164841030437884
Energy: 1.1179039138467588
Energy: 1.1190702377115023
Energy: 1.1258505258739062
Energy: 1.126617858392213
Energy: 1.1286078363794252
Energy: 1.1332968919953168
Energy: 1.1823631499152296
Energy: 1.1825389080057138
Energy: 1.1826471065974618
Energy: 1.1814020576120374
Energy: 1.1866662562962098
Energy: 1.1999635046009731
Energy: 1.2007786097397304
Energy: 1.1278816262078208
Energy: 1.1282942181251983
Energy: 1.1334085836920489
Energy: 1.1335243812387856
Energy: 1.133588193524394
Energy: 1.1338847186927414
Energy: 1.1342993994607034
Energy: 1.2210543239994824
Energy: 1.222865548411049
Energy: 1.2337478425355877
Energy: 1.2330751519366967
Energy: 1.2301548589576377
Energy: 1.230821918645867
Energy: 1.2286639720980526
Energy: 1.2237946434662523
Energy: 1.2234657140562972
Energy: 1.2142657601063538
Energy: 1.2263647663721966
Energy: 1.2265262952319702
Energy: 1.2266356979905544
Energy: 1.2315632272986157
Energy: 1.1277711263917356
Energy: 1.1180171307408417
Energy: 1.1191314334974007
Energy: 1.1166778092692
Energy: 1.117852258997262
Energy: 1.1193023335507823
Energy: 1.117586091655455
Energy: 1.224328567025903
Energy: 1.2237879446830093
Energy: 1.2194795415861417
Energy: 1.2193127840529465
Energy: 1.2292122935770065
Energy: 1.2192073113385726
Energy: 1.2217896178182064
Energy: 1.2242749326204885
Energy: 1.22114298964548
Energy: 1.1177859644909292
Energy: 1.2308329556916373
Energy: 1.2299294554655444
Energy: 1.239288714553758
Energy: 1.2271734364751425
Energy: 1.1323312230419502
Energy: 1.1168659970557115
Energy: 1.1167461040331583
Energy: 1.1210371874370928
Energy: 1.1175062668673108
Energy: 1.1190987935083396
Energy: 1.2207135726292564
Energy: 1.258694693242171
Energy: 1.258150381015988
Energy: 1.262645592553868
Energy: 1.290825572100421
Energy: 1.2907363629741853
Energy: 1.2955543065220245
Energy: 1.2748586670927542
Energy: 1.259662416311522
Energy: 1.1630393483113324
Energy: 1.188893912086489
Energy: 1.2912142977790284
Energy: 1.291116592851812
Energy: 1.2943489202947602
Energy: 1.2707808891373615
Energy: 1.1175424013030881
Energy: 1.1206264689350034
Energy: 1.1177840623682644
Energy: 1.1170391370135642
Energy: 1.1211729861312587
Energy: 1.1190892971608701
Energy: 1.1172911528388807
Energy: 1.2155194107083083
Energy: 1.2161758769002349
Energy: 1.227983737289547
Energy: 1.2269787164693724
Energy: 1.2265655272964535
Energy: 1.2236792426908862
Energy: 1.2241766516569121
Energy: 1.1819246413170181
Energy: 1.1827998598332472
Energy: 1.1837159245975946
Energy: 1.1829776674321701
Energy: 1.212741940320188
Energy: 1.1893280731673823
Energy: 1.1891647781581267
Energy: 1.1296732336148678
Energy: 1.1233212881852286
Energy: 1.1336665345334425
Energy: 1.1330659412962816
Energy: 1.1328909956839417
Energy: 1.132896976932124
Energy: 1.1279725588366065
Energy: 1.22651764694973
Energy: 1.2402169648791563
Energy: 1.2619889152513653
Energy: 1.2281077201776878
Energy: 1.2308927548634456
Energy: 1.2307192822734914
Energy: 1.2299725250028395
Energy: 1.2215765103167937
Energy: 1.2271890503441398
Energy: 1.1253352564366719
Energy: 1.1257081964988769
Energy: 1.126104588443755
Energy: 1.1168386709700475
Energy: 1.2311978344615384
Energy: 1.125108291278849
Energy: 1.1172922482449321
Energy: 1.118671769894498
Energy: 1.1193395048187906
Energy: 1.1169426005460164
Energy: 1.1166596247392144
Energy: 1.1175211595900252
Energy: 1.2239984492304197
Energy: 1.2193829220349777
Energy: 1.2191804518101654
Energy: 1.2192295507652176
Energy: 1.245119593838478
Energy: 1.2266933450038244
Energy: 1.2267958930387695
Energy: 1.2282106826670902
Energy: 1.1175811341588813
Energy: 1.1188136566236857
Energy: 1.1176761685780339
Energy: 1.1185510425182732
Energy: 1.117657259058654
Energy: 1.2286109883837955
Energy: 1.2303991538345596
Energy: 1.2291351102651662
Energy: 1.1215598755545575
Energy: 1.1169130036223136
Energy: 1.116462361705681
Energy: 1.1165575762967597
Energy: 1.2302978051251572
Energy: 1.2585682157679225
Energy: 1.2584933915236667
Energy: 1.2964722342789454
Energy: 1.293752654864306
Energy: 1.2927788070245834
Energy: 1.296116209474354
Energy: 1.297072086798432

minimum gb energy = 1.116462361705681 eV
minimum distance =  2.28188575473955 Angstroms
sigma value = 39


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

Energy: 1.5504556437889885
Energy: 1.220807723432991
Energy: 1.3281314995144151
Energy: 1.2880649260442774
Energy: 1.287489362166834
Energy: 1.2422182330071896
Energy: 1.2877890019877927
Energy: 1.2317448009581604
Energy: 1.1276387830407921
Energy: 1.1784922357994243
Energy: 1.2312027256759257
Energy: 1.1271585764050982
Energy: 1.1218824302268073
Energy: 1.216684886668394
Energy: 1.2151707615900096
Energy: 1.1271745174720462
Energy: 1.177120151490282
Energy: 1.2315176351492885
Energy: 1.1772661888243265
Energy: 1.1278810843758027
Energy: 1.1767199601311313
Energy: 1.2152741215112597
Energy: 1.093623153795578
Energy: 1.2208650302251167
Energy: 1.2153215888535993
Energy: 1.095596790245978
Energy: 1.0930663609965254
Energy: 1.221607382983719
Energy: 1.1687756208497448
Energy: 1.1264082208426511
Energy: 1.171742451357253
Energy: 1.1687421769678954
Energy: 1.1263354178299967
Energy: 1.126323811066307
Energy: 1.1685347857704533
Energy: 1.1630482417737262
Energy: 1.1198647643283586
Energy: 1.171602537929754
Energy: 1.1687684884632965
Energy: 1.127231230391467
Energy: 1.1225327238164267
Energy: 1.1693681768313904
Energy: 1.163414149782828
Energy: 1.114820917301807
Energy: 1.1134748982239977
Energy: 1.2050362195688002
Energy: 1.1137947392979988
Energy: 1.1201795235009762
Energy: 1.163404526238069
Energy: 1.168669958088895
Energy: 1.1213965272490276
Energy: 1.1271694062268023
Energy: 1.1693742751067162
Energy: 1.169631653210364
Energy: 1.1262112278867662
Energy: 1.1638225992811917
Energy: 1.2203457758747287
Energy: 1.2193080451469533
Energy: 1.121743590853298
Energy: 1.2214560871930287
Energy: 1.223510970966773
Energy: 1.1149356965551025
Energy: 1.2225792440348984
Energy: 1.2210236340568792
Energy: 1.2192438044814295
Energy: 1.1146075256900845
Energy: 1.273609995503377
Energy: 1.2186846970627403
Energy: 1.2361615720870087
Energy: 1.2052007040540003
Energy: 1.1763023961496053
Energy: 1.1278588298030727
Energy: 1.177296697869624
Energy: 1.2323255241932796
Energy: 1.1791976648274054
Energy: 1.1266528477241653
Energy: 1.2330699667987415
Energy: 1.2163767053682983
Energy: 1.0931799500678068
Energy: 1.172182827678298
Energy: 1.217321893675313
Energy: 1.1780150898289714
Energy: 1.1271584191026571
Energy: 1.216836263730118
Energy: 1.2235006029975797
Energy: 1.1933670761936612
Energy: 1.3398945153459676
Energy: 1.2882283175475449
Energy: 1.2344160263807489
Energy: 1.094007954393883
Energy: 1.3395238930506148
Energy: 1.2151403746788911
Energy: 1.1269665970120446
Energy: 1.1772146605293714
Energy: 1.2351341054628038
Energy: 1.1773013177670077
Energy: 1.1275522131503644
Energy: 1.2311854815381944
Energy: 1.2941740709702148
Energy: 1.219126417498574
Energy: 1.1776090025429873
Energy: 1.2163595521382082
Energy: 1.2214160500929443
Energy: 1.1269467985604928
Energy: 1.2150504428863362
Energy: 1.3389145714604722
Energy: 1.2549135411316896
Energy: 1.18323123995684
Energy: 1.2867045694421715
Energy: 1.2881403651218895
Energy: 1.19087393049175
Energy: 1.2755818613528747
Energy: 1.2314513764597677
Energy: 1.127241308912893
Energy: 1.1788136141335224
Energy: 1.231148346494782
Energy: 1.1269878460517748
Energy: 1.1209615855103068
Energy: 1.2166726473221552
Energy: 1.2149604859713172
Energy: 1.127132313775426
Energy: 1.1771599915281474
Energy: 1.2315717768060683
Energy: 1.1774348099566752
Energy: 1.1278248864344045
Energy: 1.178680607682791
Energy: 1.2158007652604315
Energy: 1.0936786634957627
Energy: 1.2208575217921223
Energy: 1.2151827803712614
Energy: 1.0952740960850542
Energy: 1.0929832323181308
Energy: 1.2213861723866168
Energy: 1.1692742535613831
Energy: 1.126430172911576
Energy: 1.1716488577966921
Energy: 1.1690557005551803
Energy: 1.1264113205018635
Energy: 1.1263502524730888
Energy: 1.1685082500818402
Energy: 1.166469920658811
Energy: 1.1197888055207739
Energy: 1.1713301996166203
Energy: 1.168844992925283
Energy: 1.1273383115228377
Energy: 1.1223687800376685
Energy: 1.1694135142438247
Energy: 1.163477760556443
Energy: 1.1150150745649736
Energy: 1.1133487823740258
Energy: 1.2054322228103578
Energy: 1.1137380194160564
Energy: 1.1203424844129892
Energy: 1.163238515394002
Energy: 1.1686971799046308
Energy: 1.1213898350218594
Energy: 1.1263415104226078
Energy: 1.1693090912490216
Energy: 1.17446146856465
Energy: 1.1213525807821572
Energy: 1.1691443323813755
Energy: 1.2203457742738828
Energy: 1.2192552238828445
Energy: 1.121689400689564
Energy: 1.2212020122359257
Energy: 1.2188939283421087
Energy: 1.1157419700993148
Energy: 1.2207066257844224
Energy: 1.220978648406616
Energy: 1.2191811543100244
Energy: 1.1147529242817442
Energy: 1.2737524482871652
Energy: 1.2186790853425389
Energy: 1.2354266712948416
Energy: 1.2145053596072322
Energy: 1.1764026564794354
Energy: 1.1278104456519136
Energy: 1.1772466717930412
Energy: 1.231966374608765
Energy: 1.1770393643658559
Energy: 1.1265641989476758
Energy: 1.2328462838800702
Energy: 1.2163852693004062
Energy: 1.0931916013643028
Energy: 1.1720995219351311
Energy: 1.2170692140607535
Energy: 1.1772280521150602
Energy: 1.1274484714515276
Energy: 1.2780222090147668
Energy: 1.268557811522822
Energy: 1.0934335644197481
Energy: 1.339619169348436
Energy: 1.2779464351275398
Energy: 1.2336534322957924
Energy: 1.0933378310425128
Energy: 1.3394583690366755
Energy: 1.2174276244107303
Energy: 1.127040131935713
Energy: 1.1774195504917557
Energy: 1.2348352178842326
Energy: 1.1770527843811602
Energy: 1.1274181315422775
Energy: 1.231866846204275
Energy: 1.2789960586194422
Energy: 1.2191209339472553
Energy: 1.1697696846979355
Energy: 1.2170397722539232
Energy: 1.2210331043411717
Energy: 1.2284917300616458
Energy: 1.2150667076174364

minimum gb energy = 1.0929832323181308 eV
minimum distance =  2.30314814886561 Angstroms
sigma value = 21


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

Energy: 1.7531272809211496
Energy: 1.0742662951833122
Energy: 1.1246410479848314
Energy: 1.173999023302252
Energy: 1.1767303528416686
Energy: 1.0008295039074564
Energy: 1.1813201668222735
Energy: 1.1670549516798525
Energy: 1.1116755963287979
Energy: 1.0936270534150616
Energy: 1.1304032694518027
Energy: 1.093792838606921
Energy: 1.0924962456579093
Energy: 1.1672345272696931
Energy: 1.0811065412131635
Energy: 1.090780687461144
Energy: 1.134937407748536
Energy: 1.0876625912928344
Energy: 1.0932050013857397
Energy: 1.0936410388067463
Energy: 1.135648938190035
Energy: 1.2106495561715267
Energy: 1.0584934673438857
Energy: 1.0740654317898695
Energy: 1.1170560318193095
Energy: 1.050329408942911
Energy: 1.0688679409419704
Energy: 1.1183143519097805
Energy: 1.0659896617649136
Energy: 1.0502319463497065
Energy: 1.1357823418765733
Energy: 1.091277160036541
Energy: 1.092898290852266
Energy: 1.069069827501859
Energy: 1.1144907809105793
Energy: 1.054432195780618
Energy: 1.0922189735744665
Energy: 1.1359036024966656
Energy: 1.0883304050575833
Energy: 1.0726889834375586
Energy: 1.0926175925820159
Energy: 1.1675378481762642
Energy: 1.0151301524341085
Energy: 1.055698469912585
Energy: 1.0226783410100735
Energy: 1.0302814628304655
Energy: 1.0148923758607906
Energy: 1.0793578289883514
Energy: 1.0459705219617264
Energy: 1.0153951787935587
Energy: 1.0214332790871272
Energy: 1.0646383878438999
Energy: 1.0299703122733148
Energy: 1.0146437648792639
Energy: 1.0940492487589042
Energy: 1.0041661451658317
Energy: 1.0533731793113543
Energy: 1.0147844369896746
Energy: 1.104475949104176
Energy: 1.0518563588731134
Energy: 1.0521935051322135
Energy: 1.105852120952226
Energy: 1.0710554957698069
Energy: 0.991442851970895
Energy: 0.9913851439837369
Energy: 1.0339177577515462
Energy: 0.9923576203103979
Energy: 0.9925528138655536
Energy: 0.9858899042683278
Energy: 1.040513130969389
Energy: 1.031695873183062
Energy: 1.0383783584658135
Energy: 0.9919860384708765
Energy: 1.0751716780141667
Energy: 1.0318075362691894
Energy: 0.9925342406094955
Energy: 1.076231557421884
Energy: 0.9920601469371733
Energy: 0.9916485171405469
Energy: 1.0320688674436007
Energy: 1.0728546290130645
Energy: 0.9918664713526864
Energy: 1.0366536403448783
Energy: 1.0775894070043446
Energy: 1.0137484791681326
Energy: 1.0151993096246925
Energy: 0.991271540790515
Energy: 0.9917195537039432
Energy: 1.0857814090480638
Energy: 0.9914921845129868
Energy: 0.9917419073959541
Energy: 1.0650968734213468
Energy: 1.0070526143747152
Energy: 0.9912410658992563
Energy: 1.0506575971163015
Energy: 1.0065523467189001
Energy: 0.9915042130725611
Energy: 0.9920215276237868
Energy: 1.051314696504985
Energy: 1.0796712469999172
Energy: 1.0149595429366565
Energy: 1.0297555334423092
Energy: 1.0948295705047728
Energy: 1.0147796185726403
Energy: 1.0525306692856158
Energy: 1.1149886855442515
Energy: 1.0824434442820534
Energy: 1.0147013936687033
Energy: 1.030497529804117
Energy: 1.0606609891897558
Energy: 1.0152689244319821
Energy: 1.0306929713176725
Energy: 1.1147474410173221
Energy: 1.0779075885267673
Energy: 1.0150307020940499
Energy: 1.10902870129838
Energy: 1.0600229679366213
Energy: 1.0150156651829874
Energy: 1.0526511694198692
Energy: 1.134947881635721
Energy: 1.0912800390884903
Energy: 1.0933892408683232
Energy: 1.084686763728113
Energy: 1.0933185192539678
Energy: 1.0943481464711007
Energy: 1.084063745206815
Energy: 1.122092584998309
Energy: 1.0735523599281933
Energy: 1.137929457470515
Energy: 1.1160708454518997
Energy: 1.0688205312558854
Energy: 1.0507563610801685
Energy: 1.0518456066369632
Energy: 1.1350181410340083
Energy: 1.0936677374716663
Energy: 1.0703589822306705
Energy: 1.1152084794841404
Energy: 1.093446065062012
Energy: 1.0901609292388545
Energy: 1.182832704730289
Energy: 1.1352126295053888
Energy: 1.090924517911131
Energy: 1.135120303733071
Energy: 1.15290005642179
Energy: 1.0939819485434752
Energy: 1.094761778433956
Energy: 1.1705272145665702
Energy: 1.188866304093877
Energy: 1.0505729700214888
Energy: 1.2231446873009744
Energy: 1.1767391872493878
Energy: 1.0507899723314902
Energy: 1.1085375063073535
Energy: 1.244597723657874
Energy: 1.1669167864605314
Energy: 1.0505386997323338
Energy: 1.0728210638789566
Energy: 1.1765655510651585
Energy: 1.0502582999129884
Energy: 1.0691146172419648
Energy: 1.2352305393419116
Energy: 1.166854098881363
Energy: 1.1101078245619995
Energy: 1.135686573788943
Energy: 1.1525516490616727
Energy: 1.0942684118976853
Energy: 1.112049735720295
Energy: 1.1694498286659165
Energy: 1.1952588205719248
Energy: 1.0940265573094146
Energy: 1.1125976131420348
Energy: 1.195440516162507
Energy: 1.2107947420264078
Energy: 1.1102076961253888
Energy: 1.182774127250104

minimum gb energy = 0.9858899042683278 eV
minimum distance =  2.29534858707828 Angstroms
sigma value = 113


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

Energy: 1.747264360152648
Energy: 0.9746097480067959
Energy: 0.9590147690530264
Energy: 1.0435381746157657
Energy: 1.0429275781932548
Energy: 1.0283919273034114
Energy: 0.9503743905488324
Energy: 0.9838211833730418
Energy: 1.007266433709864
Energy: 0.9852569997071703
Energy: 0.9842082039691106
Energy: 1.0145263486631562
Energy: 1.0072939253585647
Energy: 0.9997938274254737
Energy: 1.0050387467495203
Energy: 1.0213225065677245
Energy: 1.006758615463033
Energy: 0.9824065879343837
Energy: 0.972131509022393
Energy: 1.001368124758205
Energy: 0.9866025160178479
Energy: 0.9694295947660926
Energy: 0.9952846487607141
Energy: 0.9843106506943988
Energy: 0.9385097695578811
Energy: 0.9470620743003121
Energy: 0.9842142398889098
Energy: 0.974316563722604
Energy: 0.9239279341646445
Energy: 0.9908001633550914
Energy: 0.9712426145908042
Energy: 0.9806530406992021
Energy: 0.9631503981299977
Energy: 0.9843367470890758
Energy: 0.9753132188720175
Energy: 0.9699991610353115
Energy: 0.9706979044773777
Energy: 0.9688037909501487
Energy: 0.9918352277917871
Energy: 0.9676386036081833
Energy: 1.0088497013509126
Energy: 0.9645190666812499
Energy: 0.9525096800472869
Energy: 1.0553042217805015
Energy: 0.9853037273625462
Energy: 0.9351448049618072
Energy: 0.9526894366639524
Energy: 1.008328048447573
Energy: 0.9630204342593892
Energy: 0.9523441870076521
Energy: 0.9442679161879136
Energy: 0.9800185425150939
Energy: 0.9336336526513005
Energy: 0.9526068475440698
Energy: 1.0020813827235138
Energy: 0.9404941853614179
Energy: 0.9702647501789355
Energy: 0.9719479327025953
Energy: 0.9469551969473191
Energy: 0.9717992258450255
Energy: 0.954886325018678
Energy: 0.9699521179488848
Energy: 0.9600445497488616
Energy: 0.9236969785184197
Energy: 0.9480411322460098
Energy: 0.9107987669346753
Energy: 0.9491906925790488
Energy: 0.9527728206091107
Energy: 0.9224988214919317
Energy: 0.9518100967157455
Energy: 0.9482090730166444
Energy: 0.9492277330712794
Energy: 0.9111585715649594
Energy: 0.9286704168008338
Energy: 0.937604323993702
Energy: 0.92145227282307
Energy: 0.9548712130768139
Energy: 0.9613573274706367
Energy: 0.9220545649282372
Energy: 0.917797791242598
Energy: 0.9635820365352006
Energy: 0.9524165986549301
Energy: 0.9393865815196929
Energy: 0.9632236928973631
Energy: 0.9566077138969418
Energy: 0.9225425546787485
Energy: 0.9106528685771254
Energy: 0.924030085896396
Energy: 0.9069081741144641
Energy: 0.9110081366508886
Energy: 0.9130114924936019
Energy: 0.9342921878233195
Energy: 0.8893731072465828
Energy: 0.9022481889139359
Energy: 0.9039691949060773
Energy: 0.9194588847682602
Energy: 0.8994063395631333
Energy: 0.893390118905699
Energy: 0.907607454633555
Energy: 0.9329295537076099
Energy: 0.9117247451656884
Energy: 0.9164449802261067
Energy: 0.9308508635964821
Energy: 0.9204413812455265
Energy: 0.9344740585393015
Energy: 0.8982707592003848
Energy: 0.9071815917580526
Energy: 0.8963843743770809
Energy: 0.9027260268696755
Energy: 0.8984904232222466
Energy: 0.9325146186468595
Energy: 0.8994838110984638
Energy: 0.885764202235227
Energy: 0.9078179674780699
Energy: 0.8944060633884601
Energy: 0.8716650794385657
Energy: 0.8823927881067418
Energy: 0.9068449094921429
Energy: 0.9143119804720269
Energy: 0.9165821857552001
Energy: 0.8912348254639382
Energy: 0.9316399432228853
Energy: 0.901742051058381
Energy: 0.9035925332082393
Energy: 0.923814911656245
Energy: 0.9073187459248856
Energy: 0.9194667250688111
Energy: 0.9039067892261972
Energy: 0.9259852455344858
Energy: 0.9074162524159964
Energy: 0.9027291627303924
Energy: 0.920104531344903
Energy: 0.9183862513429034
Energy: 0.8829658116490612
Energy: 0.8863975131903475
Energy: 0.9013699148507571
Energy: 0.873548956364355
Energy: 0.8787579401276555
Energy: 0.8938898047943082
Energy: 0.9081702169801649
Energy: 0.9105991470323487
Energy: 0.9101950980340509
Energy: 0.8878798151343995
Energy: 0.9299159233262192
Energy: 0.9058938031603254
Energy: 0.889045768864418
Energy: 0.9307259131541259
Energy: 0.9156318322063342
Energy: 0.8902645748637703
Energy: 0.9092463615971856
Energy: 0.9317670820615161
Energy: 0.8878902997183665
Energy: 0.9095096128890912
Energy: 0.9359040694788615
Energy: 0.891538531783488
Energy: 0.9064088905213781
Energy: 0.8785775054488179
Energy: 0.9194006314193715
Energy: 0.859903458510855
Energy: 0.8802246964155795
Energy: 0.8723255441715152
Energy: 0.916908896150199
Energy: 0.9114628130319068
Energy: 0.9182456312002824
Energy: 0.9030642984297945
Energy: 0.9235369098010345
Energy: 0.9077299590380606
Energy: 0.9105889662661889
Energy: 0.9172155388777573
Energy: 0.942424121747423
Energy: 0.8984766020717343
Energy: 0.9228086792316981
Energy: 0.9252722962395208
Energy: 0.8907663024859444
Energy: 0.900701409142637
Energy: 0.9079531957599236
Energy: 0.9019434461224006
Energy: 0.8819483987330164
Energy: 0.8702639442778363
Energy: 0.8925558436646777
Energy: 0.8844045742875609
Energy: 0.8893110175328938
Energy: 0.8946486784313366
Energy: 0.9152539032313796
Energy: 0.8934405166164042
Energy: 0.8865078819004815
Energy: 0.9329736022130897
Energy: 0.9110959686617286
Energy: 0.898608524023254
Energy: 0.9334659318712009
Energy: 0.9145074112099162
Energy: 0.9331865678162695
Energy: 0.9165687092970584
Energy: 0.9208598903553451
Energy: 0.9301698836923558
Energy: 0.9250011583527802
Energy: 0.8923018210630296
Energy: 0.9099056615630283
Energy: 0.9091136188127326
Energy: 0.9002913136331395
Energy: 0.9107634726971634
Energy: 0.9097703393108445
Energy: 0.9360841627843802
Energy: 0.9090823589875151
Energy: 0.9117751686675427
Energy: 0.9077765020412695
Energy: 0.9185932494264782
Energy: 0.9094177435139758
Energy: 0.9256947630714275
Energy: 0.9354107424830413
Energy: 0.9340561716430468
Energy: 0.9246154816970054
Energy: 0.9507299164169631
Energy: 0.9577798757413376
Energy: 0.9182422460365788
Energy: 0.9535789631687793
Energy: 0.9635693003385186
Energy: 0.9328221587393328
Energy: 0.9124512728390031
Energy: 0.9491204355905015
Energy: 0.9573954746353689
Energy: 0.9200399487592942
Energy: 0.9502788586186232
Energy: 0.9490164270895758
Energy: 0.9541616928470524
Energy: 0.9272634751901158
Energy: 0.9555804686725508
Energy: 0.9505714643059746
Energy: 0.9245909238485535
Energy: 0.9574636699856095
Energy: 0.9571243912751985
Energy: 0.9588354544356678
Energy: 0.9744595500376926
Energy: 0.9696506328026588
Energy: 0.9707719245596044
Energy: 0.9689543542777657
Energy: 0.9722135799987238
Energy: 0.9673684503414927
Energy: 0.9378755774419759
Energy: 0.999374581601551
Energy: 0.9505877796294071
Energy: 0.9296886775919448
Energy: 0.9680554979803012
Energy: 0.9551275337110842
Energy: 0.9600111991547959
Energy: 0.9590026408745408
Energy: 1.0004390599632684
Energy: 0.9503315379290976
Energy: 0.9278140273470927
Energy: 1.0049412330442515
Energy: 0.9650887578992777
Energy: 0.9591169557805036
Energy: 0.9975102778226981
Energy: 1.0065056134590644
Energy: 0.9690488014268591
Energy: 0.9901221009061811
Energy: 0.9663430953455914
Energy: 0.9709523099503334
Energy: 0.9667934575065021
Energy: 1.005417461176686
Energy: 0.9862057132107774
Energy: 0.9806540276788306
Energy: 0.9763345558726871
Energy: 0.9922561349391126
Energy: 0.9964100496518016
Energy: 0.950912606128112
Energy: 0.9829652732049002
Energy: 1.0846745590219633
Energy: 0.960471506188743
Energy: 0.9553211161382068
Energy: 0.9928053260780155
Energy: 0.9511675922542726
Energy: 0.9359850178406146
Energy: 0.9833076592509852
Energy: 1.0170139959645939
Energy: 0.9677326847320082
Energy: 0.9836575891634357
Energy: 1.0118998513527078
Energy: 1.0251840618727341
Energy: 0.9785237897862651
Energy: 1.005752300736989
Energy: 1.0029505423850185
Energy: 0.9779323601944835
Energy: 0.9839345652738546
Energy: 1.0108717549289512
Energy: 0.9714406173388219
Energy: 0.9681335491819173
Energy: 0.944536124533471
Energy: 0.9945973224245919
Energy: 1.0299562275210195
Energy: 0.9593521181591312
Energy: 0.9480319508119247
Energy: 1.0257464459940955
Energy: 1.027381690388793
Energy: 1.0021719492988663
Energy: 1.0180917084386656
Energy: 1.0022151999290987
Energy: 0.9834543717778695
Energy: 1.0110108766962818
Energy: 1.0006029142133186
Energy: 0.9845450221057508
Energy: 0.9843172995865899
Energy: 1.0034517986614393
Energy: 1.014722044262817
Energy: 0.9832953410663255
Energy: 1.0120552135295895
Energy: 1.020658322361256
Energy: 0.9997166164984223
Energy: 1.0219796171241804
Energy: 0.9812691108799861
Energy: 0.9589406067749792
Energy: 1.0367332778242846
Energy: 1.0384478284629501
Energy: 0.9517442415489841
Energy: 0.9500028888424797

minimum gb energy = 0.859903458510855 eV
minimum distance =  2.30708632760883 Angstroms
sigma value = 365


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

Energy: 1.1230154686064702
Energy: 1.0599703629098214
Energy: 1.0699597355403578
Energy: 1.0709130638179003
Energy: 1.0713017823268718
Energy: 1.0702821206679733
Energy: 1.070024560362115
Energy: 0.36855902028499954
Energy: 0.3724889181857972
Energy: 0.378044811097101
Energy: 0.3805483199275678
Energy: 0.3814402776147961
Energy: 0.3798193856347435
Energy: 0.3750183371984199
Energy: 0.3685897476503938
Energy: 0.3749743671436875
Energy: 0.3772670786407613
Energy: 0.38054955715048816
Energy: 0.3805417336251739
Energy: 0.3788044676102945
Energy: 0.3759033493116425
Energy: 1.055572037799806
Energy: 1.0556251211869767
Energy: 1.0684189716467802
Energy: 1.0695521806296153
Energy: 1.0720218420499112
Energy: 1.068975025150503
Energy: 1.0692553808411955
Energy: 1.06010926646483
Energy: 1.0611342438912528
Energy: 1.0628274859075464
Energy: 1.0677605586356176
Energy: 1.072567215090889
Energy: 1.064170520089522
Energy: 1.061207729669612
Energy: 0.36849368543304317
Energy: 0.3752136059754448
Energy: 0.37577938117044885
Energy: 0.38065426954972725
Energy: 0.3811468019507164
Energy: 0.37768047409922967
Energy: 0.375249722354313
Energy: 1.0543673837706893
Energy: 1.0586450121610926
Energy: 1.0681579520036144
Energy: 1.0701791051020793
Energy: 1.0723083034230947
Energy: 1.0685666436718733
Energy: 1.055980380352923
Energy: 1.0544468147436352
Energy: 1.054838512093199
Energy: 1.0685235554965673
Energy: 1.0696865225507013
Energy: 1.0723551168003613
Energy: 1.0683610018184055
Energy: 1.055508450494542
Energy: 0.3684521085791721
Energy: 0.3751340994862351
Energy: 0.3761775608421643
Energy: 0.3804600996776933
Energy: 0.3810602711073559
Energy: 0.37817889158937695
Energy: 0.37498130884483477
Energy: 1.0606144696581445
Energy: 1.0611467686302456
Energy: 1.0625371605217213
Energy: 1.067246603811836
Energy: 1.070234642727172
Energy: 1.0649919415000713
Energy: 1.0616513661402487
Energy: 1.0587005789475403
Energy: 1.0569228226041931
Energy: 1.0691086847921416
Energy: 1.0695882068400142
Energy: 1.0717381267182668
Energy: 1.0687926442236184
Energy: 1.0687774679011754
Energy: 0.3685742575498219
Energy: 0.3749556190223049
Energy: 0.37745323075010867
Energy: 0.38013124690198935
Energy: 0.3810870463546592
Energy: 0.37926038971883064
Energy: 0.37617348177491405
Energy: 0.3685834145199122
Energy: 0.37245660114252044
Energy: 0.3780861340364762
Energy: 0.3810265551132855
Energy: 0.3813627263575928
Energy: 0.3794856216920362
Energy: 0.37616516297636554
Energy: 1.0603633407607855
Energy: 1.0602708762885107
Energy: 1.0687455656828184
Energy: 1.0695597049541665
Energy: 1.0716475416612508
Energy: 1.0692633706038877
Energy: 1.0698706481495937
Energy: 1.0610753114772438
Energy: 1.0615931346919476
Energy: 1.0642964571904674
Energy: 0.38102865712851236
Energy: 0.38128068945475097
Energy: 0.3799571927761122
Energy: 1.0621448558505968
Energy: 0.3687352101306525
Energy: 0.3742146801725497
Energy: 0.37704995861661583
Energy: 0.3807565965340819
Energy: 0.3809341210724638
Energy: 0.3786182736143402
Energy: 0.3756203609966015
Energy: 1.0549486855706853
Energy: 1.0551310000440568
Energy: 1.0684726576053896
Energy: 1.069403874412365
Energy: 1.0719349005089283
Energy: 1.0688822964656721
Energy: 1.0691487023408428
Energy: 1.05984907910332
Energy: 1.0608418211263226
Energy: 1.062820564793384
Energy: 1.0703296133521536
Energy: 1.0728665126855665
Energy: 1.063909374849936
Energy: 1.0611390715014983
Energy: 0.36847627519686066
Energy: 0.3753545405205184
Energy: 0.3758692412129158
Energy: 0.3802523335112026
Energy: 0.38114903798736877
Energy: 0.37744717621042206
Energy: 0.37506793364319185
Energy: 1.060420315393874
Energy: 1.0592433632366796
Energy: 1.062195135972448
Energy: 1.0701687421176327
Energy: 1.0722529290457525
Energy: 1.068746517397016
Energy: 1.0605868447358233

minimum gb energy = 0.3684521085791721 eV
minimum distance =  2.37697093809264 Angstroms
sigma value = 23