Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608116634190083
cohesive_energy=4.229961104259564
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.020106194131277986
Energy: 0.5831706021792757
Energy: 0.7089647716883675
Energy: 0.5831500778294781
Energy: 0.020106194131277986
Energy: 0.5831706021792757
Energy: 0.7089647716858541
Energy: 0.7084571717254063
Energy: 0.16631897942410218
Energy: 0.27107070382895493
Energy: 0.12262719438901046
Energy: 0.708457171722893
Energy: 0.16631897929598308
Energy: 0.2710707038286979
Energy: 0.020106194131277986
Energy: 0.5831706021800185
Energy: 0.7089647716858541
Energy: 0.5831500778294781
Energy: 0.020106194131277986
Energy: 0.5831706021795329
Energy: 0.7089647716908808
Energy: 0.7084571717254063
Energy: 0.16631897825343717
Energy: 0.271070703829212
Energy: 0.12253387460856885
Energy: 0.708457171722893
Energy: 0.16631897846195207
Energy: 0.27107070382895493
Energy: 0.020106194131277986
Energy: 0.5831706021795329
Energy: 0.7089647716858541
Energy: 0.5831500778294781
Energy: 0.020106194131277986
Energy: 0.5831706021797612
Energy: 0.7089647716883675
Energy: 0.7084571717254063
Energy: 0.16631897894426945
Energy: 0.271070703829212
Energy: 0.12261437468647232
Energy: 0.708457171722893
Energy: 0.16631897950701122
Energy: 0.27107070382895493

minimum gb energy = 0.020106194131277986 eV
minimum distance =  2.5333510869388 Angstroms
sigma value = 5


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

Energy: 1.2285519072473996
Energy: 1.1662595104314308
Energy: 1.1333673681438274
Energy: 1.1685267638715024
Energy: 1.2285519072627518
Energy: 1.1662848815361775
Energy: 1.11017813797769
Energy: 1.1608389288496839
Energy: 1.2422807735701378
Energy: 1.306890053960818
Energy: 1.1521896717870839
Energy: 1.160773151643791
Energy: 1.2422815019807079
Energy: 1.3068901891626528
Energy: 1.2714273221765446
Energy: 1.102367134509803
Energy: 1.1991397717138765
Energy: 1.1568997982012428
Energy: 1.2714273221857557
Energy: 1.1038398114288612
Energy: 1.1995805144732317
Energy: 1.26357452236006
Energy: 1.2146426877094756
Energy: 1.2499973630905796
Energy: 1.1531820645941624
Energy: 1.263574513284801
Energy: 1.2269163140013133
Energy: 1.2525746496342984
Energy: 1.1844884833282252
Energy: 1.097481588157869
Energy: 1.1449851770815855
Energy: 1.108473288286509
Energy: 1.1844884026177476
Energy: 1.100963986876486
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Energy: 1.207778865120714
Energy: 1.1664981367670055
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Energy: 1.193717858001215
Energy: 1.207783775925215
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Energy: 1.2756887048895584
Energy: 1.1598630787729935
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Energy: 1.3598639062368851
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Energy: 1.3065983855793017
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Energy: 1.165452999856393
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Energy: 1.157358713787253
Energy: 1.2700646265079745
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Energy: 1.344695999573561
Energy: 1.1660559906613857
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Energy: 1.2146190126484833
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Energy: 1.1372658405686027
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Energy: 1.152007840251232
Energy: 1.1666949925721042
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Energy: 1.1794815259803462
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Energy: 1.270284727614392
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Energy: 1.319670707999023
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Energy: 1.1925842936380158
Energy: 1.3196701185161221
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Energy: 1.213246449424967
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Energy: 1.187007372275478
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Energy: 1.1539658847532808
Energy: 1.1929325183831194
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Energy: 1.202173651004904
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Energy: 1.1874769009908512
Energy: 1.1486726666413514
Energy: 1.2722792846939872
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Energy: 1.1874765471391036
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Energy: 1.1857917663799944
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Energy: 1.2854067967774627
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Energy: 1.1017063954124322
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Energy: 1.1349034977323496
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Energy: 1.1726371892651115
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Energy: 1.1686458280395993
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Energy: 1.1686458421849848
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Energy: 1.2141039000536362
Energy: 1.0861458022556196
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Energy: 1.1393940997742638
Energy: 1.086146693759807
Energy: 1.143979036232193
Energy: 1.3108093106436571
Energy: 1.120763794488799
Energy: 1.1116021321607863
Energy: 1.234302154244555
Energy: 1.1484087533992438
Energy: 1.1207625646746278
Energy: 1.111581888294604
Energy: 1.1724490853081155
Energy: 1.1403862584001052
Energy: 1.1421214314227208
Energy: 1.2456595966326365
Energy: 1.1932481350693394
Energy: 1.1404337884108224
Energy: 1.1402738055476915
Energy: 1.2456598498065288
Energy: 1.163538665863302
Energy: 1.1352199103820186
Energy: 1.1771491905880425
Energy: 1.1588189490883867
Energy: 1.1632954033935734
Energy: 1.1350321199614475
Energy: 1.177149183142459
Energy: 1.2335565774939363
Energy: 1.1455759277717463
Energy: 1.2908574077401944
Energy: 1.1302567016574767
Energy: 1.2335565856300328
Energy: 1.1445591408966214
Energy: 1.2908573309888483
Energy: 1.1870639283615534
Energy: 1.1483573403021743
Energy: 1.2589625694357491
Energy: 1.2946385136770575
Energy: 1.191049224760312
Energy: 1.1483899923302556
Energy: 1.258961655693066
Energy: 1.2204523845075805
Energy: 1.2416193106871662
Energy: 1.1551867640308566
Energy: 1.1401974818215739
Energy: 1.220450340588151
Energy: 1.241619308950081
Energy: 1.145801962751114
Energy: 1.2371985511906323
Energy: 1.135707726722167
Energy: 1.1407421647261244
Energy: 1.1335290435876517
Energy: 1.237198544030488
Energy: 1.1357095241613098
Energy: 1.1407266558618467
Energy: 1.1473398631226521
Energy: 1.1813467758557172
Energy: 1.317229011055904
Energy: 1.1996094451472026
Energy: 1.1473398595257203
Energy: 1.1813468028113514
Energy: 1.3171738959000123
Energy: 1.2680267340375095
Energy: 1.178511618661721
Energy: 1.235886948080327
Energy: 1.1362176491747122
Energy: 1.2680267340651434
Energy: 1.1785080001577166
Energy: 1.2358793874324845
Energy: 1.1152846880570482
Energy: 1.12233376173913
Energy: 1.3691578830625386
Energy: 1.156034339924282
Energy: 1.1152846871670126
Energy: 1.1223340103984767
Energy: 1.3691578953910077

minimum gb energy = 1.0861458022556196 eV
minimum distance =  2.22878119493777 Angstroms
sigma value = 401


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

Energy: 1.1739377870549854
Energy: 1.2817902328003137
Energy: 1.23230556163357
Energy: 1.3083109611236496
Energy: 1.173937787061956
Energy: 1.2817830088008704
Energy: 1.2474473791770957
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Energy: 1.212542251758774
Energy: 1.3813478243738622
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Energy: 1.1047912701654812
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Energy: 1.2897761289042196
Energy: 1.1642001259742307
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Energy: 1.2175462334899774
Energy: 1.1583510166464648
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Energy: 1.1477213092201344
Energy: 1.2068356916809604
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Energy: 1.220550628584688
Energy: 1.162850671741325
Energy: 1.2642517232976325
Energy: 1.2989359247526475
Energy: 1.140169278898253
Energy: 1.1628505699540501
Energy: 1.264251336305401
Energy: 1.2991615027075296
Energy: 1.1637835035039104
Energy: 1.1761513957794791
Energy: 1.30631471494305
Energy: 1.1658301081003197
Energy: 1.163783473923647
Energy: 1.1761528292280008
Energy: 1.3036122021190857
Energy: 1.166459411759606
Energy: 1.157738394602701
Energy: 1.180940827936715
Energy: 1.1717615360134894
Energy: 1.1664594989466015
Energy: 1.159239185797438
Energy: 1.1809406342037283
Energy: 1.170149099381861
Energy: 1.1041160041825016
Energy: 1.2558328554953995
Energy: 1.1730435554332022
Energy: 1.1687601483567664
Energy: 1.1041125702233634
Energy: 1.2558329998084137
Energy: 1.163206790807537
Energy: 1.1663314410078678
Energy: 1.238802558377073
Energy: 1.180025598789033
Energy: 1.1632365660816404
Energy: 1.169331947311994
Energy: 1.2382293445310262
Energy: 1.2443863900987118
Energy: 1.1787492030105475
Energy: 1.2387946298027788
Energy: 1.1740264506592437
Energy: 1.244386390102197
Energy: 1.1787493472817385
Energy: 1.2387957775307785
Energy: 1.1739377870201329
Energy: 1.2817787782236454
Energy: 1.296389889073853
Energy: 1.3087758517517667
Energy: 1.1739377870131622
Energy: 1.281803533910833
Energy: 1.2963898893804298
Energy: 1.1529052648506024
Energy: 1.1521201448166722
Energy: 1.3813478239139976
Energy: 1.182293393784698
Energy: 1.152905266533225
Energy: 1.1547372875581163
Energy: 1.3813478237746502

minimum gb energy = 1.1041061280501008 eV
minimum distance =  2.24955050335535 Angstroms
sigma value = 311


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

Energy: 1.4053555879103579
Energy: 1.2578295618439088
Energy: 1.2549507430144156
Energy: 1.2311814674877075
Energy: 1.405355589294947
Energy: 1.2578274620507979
Energy: 1.1347744355668574
Energy: 1.3434460105101425
Energy: 1.183790478162351
Energy: 1.2254276029368574
Energy: 1.2254629035344389
Energy: 1.3434643927622913
Energy: 1.1837907834625607
Energy: 1.2217540212164455
Energy: 1.2130255634431681
Energy: 1.2520852515961032
Energy: 1.168532907345033
Energy: 1.241829599649218
Energy: 1.2246489349259444
Energy: 1.2520846568967818
Energy: 1.1879386133033227
Energy: 1.2179851934583747
Energy: 1.1830753018486655
Energy: 1.3015564884440511
Energy: 1.1815280601475735
Energy: 1.2179850890400463
Energy: 1.183086704789822
Energy: 1.3040293403093122
Energy: 1.2598326717256434
Energy: 1.1864757587654455
Energy: 1.2485072666493051
Energy: 1.2034114424845408
Energy: 1.2598327250683816
Energy: 1.2580531609448464
Energy: 1.2055958441779813
Energy: 1.2326495547378389
Energy: 1.1374821005293956
Energy: 1.3461036675144882
Energy: 1.1573845595372618
Energy: 1.2326469095960866
Energy: 1.1374811820582484
Energy: 1.3461036754909952
Energy: 1.26127502464973
Energy: 1.2187935859451842
Energy: 1.2751189029535048
Energy: 1.2481762050655196
Energy: 1.2612750245600215
Energy: 1.2184527382503965
Energy: 1.2751626521945776
Energy: 1.288198925574458
Energy: 1.1974183695855898
Energy: 1.3433840926707548
Energy: 1.2000249847510196
Energy: 1.2881989255668116
Energy: 1.1975686185603032
Energy: 1.3429006227171278
Energy: 1.2568792373476243
Energy: 1.2425982602402301
Energy: 1.2685458586530693
Energy: 1.1439712113449547
Energy: 1.2568785693439561
Energy: 1.2425979901104145
Energy: 1.3149750788107955
Energy: 1.2133882730845353
Energy: 1.182504504255391
Energy: 1.2789657168377102
Energy: 1.1959680181651275
Energy: 1.213388272929265
Energy: 1.2369606084949232
Energy: 1.2789656910235827
Energy: 1.314836951171428
Energy: 1.2036185438856248
Energy: 1.3241010832358975
Energy: 1.15796153105603
Energy: 1.314836949969036
Energy: 1.2035578312252815
Energy: 1.316867603453742
Energy: 1.2624787213348614
Energy: 1.2560099363120745
Energy: 1.2844872509380607
Energy: 1.3026424952868692
Energy: 1.2624788638565567
Energy: 1.256009941747881
Energy: 1.2838003570678331
Energy: 1.3033396406641347
Energy: 1.2135594063903508
Energy: 1.3863186333087183
Energy: 1.2595528422041182
Energy: 1.303339516258844
Energy: 1.2135253899678118
Energy: 1.3860448601334256
Energy: 1.2486561442981152
Energy: 1.237795037651271
Energy: 1.268519504571962
Energy: 1.2238505004492697
Energy: 1.248656144229334
Energy: 1.2377950786637937
Energy: 1.268509416949647
Energy: 1.3151795088903244
Energy: 1.2308351327848126
Energy: 1.3365025516452576
Energy: 1.2208457653382336
Energy: 1.3151795509234077
Energy: 1.230835193712663
Energy: 1.3364932962022633
Energy: 1.2523689784547856
Energy: 1.25103370735993
Energy: 1.2633005578815169
Energy: 1.2935648707267973
Energy: 1.2523689701045548
Energy: 1.2534549707286669
Energy: 1.2432191027275747
Energy: 1.3040856600162727
Energy: 1.1425000528983926
Energy: 1.3504897111509229
Energy: 1.216965972977443
Energy: 1.3040855218881282
Energy: 1.142496237260411
Energy: 1.3504894797753355
Energy: 1.2122450126631146
Energy: 1.2019324298067937
Energy: 1.2628520845929845
Energy: 1.2724110913721756
Energy: 1.2122450127435669
Energy: 1.2007161309956036
Energy: 1.262287722680825
Energy: 1.243460347195868
Energy: 1.13996312511896
Energy: 1.2601266548633945
Energy: 1.2207404717049408
Energy: 1.2434608659925932
Energy: 1.1393314029460404
Energy: 1.2408655942519493
Energy: 1.2869100424430486
Energy: 1.2404351506873836
Energy: 1.269925423967647
Energy: 1.2017179956284023
Energy: 1.2869101579502003
Energy: 1.2404362238487323
Energy: 1.2792044081953264
Energy: 1.2568285169812632
Energy: 1.255273208508604
Energy: 1.2876908200860888
Energy: 1.2178175944439613
Energy: 1.2568285176293075
Energy: 1.254284088087493
Energy: 1.2876515372363568
Energy: 1.219023647889002
Energy: 1.1636547094678311
Energy: 1.3508670797853537
Energy: 1.1682297245325175
Energy: 1.2203428557540714
Energy: 1.1636539075179573
Energy: 1.3508659803227379
Energy: 1.3512340711607698
Energy: 1.2063101492336015
Energy: 1.2446432086413304
Energy: 1.2975019241284107
Energy: 1.3512340463760202
Energy: 1.2063060637614906
Energy: 1.2465361742194925
Energy: 1.2141831185838956
Energy: 1.198873342858311
Energy: 1.3535523493256012
Energy: 1.2092439014786263
Energy: 1.2143594656323442
Energy: 1.1939618126103015
Energy: 1.3535416442007746
Energy: 1.236590857141148
Energy: 1.2386824379773842
Energy: 1.1368450695640013
Energy: 1.2190681778471668
Energy: 1.2365909072601657
Energy: 1.23868178076206
Energy: 1.136846752587651
Energy: 1.365912314381992
Energy: 1.2235983556702725
Energy: 1.2077738992958729
Energy: 1.2074267924774973
Energy: 1.3659123139041083
Energy: 1.2235850130338424
Energy: 1.2003094455699737
Energy: 1.366766474114504
Energy: 1.2381337387566513
Energy: 1.3155916617017858
Energy: 1.2530487941110733
Energy: 1.3667664756395093
Energy: 1.2479635659625485
Energy: 1.3151697850502728
Energy: 1.4416444964587853
Energy: 1.2178378607974123
Energy: 1.2867977048913342
Energy: 1.216558121101606
Energy: 1.4416444964563704
Energy: 1.2178377123012947
Energy: 1.2867976288882002
Energy: 1.2648618938438807
Energy: 1.218623757535029
Energy: 1.2155371224132052
Energy: 1.260837155832886
Energy: 1.2648618936930007
Energy: 1.218623757621115
Energy: 1.2172561834802575
Energy: 1.2021418529250036
Energy: 1.2453706829498168
Energy: 1.3768819847770277
Energy: 1.1978367062901598
Energy: 1.2021419164844696
Energy: 1.2453706798137563
Energy: 1.3768819064351105
Energy: 1.2614719014468794
Energy: 1.2856158659427817
Energy: 1.2332438410981812
Energy: 1.2527687303145367
Energy: 1.2614717615998614
Energy: 1.2860102721287296
Energy: 1.2292042741528424
Energy: 1.2346697464543464
Energy: 1.1616286418532247
Energy: 1.319130612084464
Energy: 1.1588691283402195
Energy: 1.233858551868032
Energy: 1.1630881591170974
Energy: 1.3191309493426162
Energy: 1.2494380035392967
Energy: 1.2268319338622284
Energy: 1.2825636330980037
Energy: 1.218186767081905
Energy: 1.2494380036060655
Energy: 1.2267960701048726
Energy: 1.2894105536698495
Energy: 1.2689081538995028
Energy: 1.2312048963766806
Energy: 1.3082687869415757
Energy: 1.1679525357895235
Energy: 1.2689081592910405
Energy: 1.2312472197536717
Energy: 1.3081914400169476
Energy: 1.273536725957344
Energy: 1.2194608034573378
Energy: 1.3002298793178344
Energy: 1.204860043246999
Energy: 1.2735367231676409
Energy: 1.2194609843100732
Energy: 1.3003543825614676
Energy: 1.2246996543626605
Energy: 1.3296937784585388
Energy: 1.2840916934941913
Energy: 1.1952116090530498
Energy: 1.2246996513263693
Energy: 1.3296937833798395
Energy: 1.2840917838300276

minimum gb energy = 1.1347744355668574 eV
minimum distance =  2.22442902784156 Angstroms
sigma value = 39


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

Energy: 1.235970929499536
Energy: 1.2523382400276202
Energy: 1.2340628704644112
Energy: 1.2381394058317652
Energy: 1.2359709293756143
Energy: 1.2523361049938857
Energy: 1.2239081158974303
Energy: 1.2381544487441252
Energy: 1.2572168207338423
Energy: 0.9921404379447283
Energy: 1.2972118591458577
Energy: 1.2381544487564744
Energy: 1.2572265649118153
Energy: 0.9921404481177124
Energy: 1.2424930391601499
Energy: 1.1649740472609236
Energy: 1.3937440989983627
Energy: 1.2759364500209456
Energy: 1.2424930391601499
Energy: 1.164974045182967
Energy: 1.3965935477521494
Energy: 1.244527846417162
Energy: 1.2646648967283713
Energy: 1.0441098496683263
Energy: 1.1478649546581277
Energy: 1.2445278464176368
Energy: 1.2646660467153485
Energy: 1.044121773699386
Energy: 1.5359924495156345
Energy: 1.3035843333291748
Energy: 1.1298179614402135
Energy: 1.2979490699485035
Energy: 1.5359924495061354
Energy: 1.3035998348239717
Energy: 1.214801162349471
Energy: 1.2335660164324123
Energy: 1.2704165147873439
Energy: 1.4203317008539427
Energy: 1.2050406409043952
Energy: 1.2335660164338371
Energy: 1.2703928382512175
Energy: 1.4195755310217464
Energy: 1.488094216008152
Energy: 1.2953287149451522
Energy: 1.2570755572403949
Energy: 1.2951439546032657
Energy: 1.488094216008627
Energy: 1.2953281437480093
Energy: 1.4534948139738155
Energy: 1.2530737050760425
Energy: 1.1655028579789228
Energy: 1.3857223973506247
Energy: 1.1903935363029696
Energy: 1.2530737050774676
Energy: 1.1655028515000163
Energy: 1.3857209900659153
Energy: 1.327421789359016
Energy: 1.293374215558477
Energy: 1.2655308693858796
Energy: 1.2934542442616528
Energy: 1.3274150944534133
Energy: 1.293340885111585
Energy: 1.2655308970130505
Energy: 1.2454397007553661
Energy: 1.202598972511948
Energy: 1.4285117546765294
Energy: 1.267134672349609
Energy: 1.2454397007529916
Energy: 1.2025989023756376
Energy: 1.4198439776717904
Energy: 1.3240260643767847
Energy: 1.2716998744144203
Energy: 1.1939216778635835
Energy: 1.302162327817933
Energy: 1.3132780987562593
Energy: 1.271699713069918
Energy: 1.1936004427552565
Energy: 1.2430587001597588
Energy: 1.1435957366460052
Energy: 1.0585265056322282
Energy: 1.2456769866229036
Energy: 1.2430587001635585
Energy: 1.1435545654772132
Energy: 1.058526468615457
Energy: 1.2332192956715422
Energy: 1.297383263663358
Energy: 1.1188565576734635
Energy: 1.1665712569173707
Energy: 1.2332193055078648
Energy: 1.2973832617244787
Energy: 1.1103210922858435
Energy: 1.2516465039121685
Energy: 1.2979801043415573
Energy: 1.058384214615829
Energy: 1.2536109953488088
Energy: 1.2516465039121685
Energy: 1.2483971315250575
Energy: 1.0583842152387195
Energy: 1.2359712479323242
Energy: 1.2523542069679607
Energy: 1.223879861025913
Energy: 1.2386123016445627
Energy: 1.2359712471789057
Energy: 1.2492133112561
Energy: 1.2256705127322065
Energy: 1.2381544487436504
Energy: 1.2572428906050295
Energy: 0.9921404336069483
Energy: 1.3072466385436936
Energy: 1.2381544488143765
Energy: 1.2572325805266837
Energy: 0.9921404365456645
Energy: 1.2424930319349492
Energy: 1.1649740469841505
Energy: 1.3930474313191827
Energy: 1.2759376976598744
Energy: 1.2424930319287748
Energy: 1.1649740500966166
Energy: 1.3957420485775354
Energy: 1.2445278464138374
Energy: 1.2646660558742466
Energy: 1.0441223508090651
Energy: 1.1478649355404096
Energy: 1.2445278464138374
Energy: 1.264665722087033
Energy: 1.0441110897971642
Energy: 1.535992455913841
Energy: 1.3035841137650597
Energy: 1.1943574368651022
Energy: 1.2979943958223197
Energy: 1.5359924559347389
Energy: 1.3035914447724144
Energy: 1.187567410014822
Energy: 1.2335660164271878
Energy: 1.2703805297377146
Energy: 1.4190099237681746
Energy: 1.2050406409495167
Energy: 1.233566016434787
Energy: 1.2700992047893873
Energy: 1.4195724736135449
Energy: 1.488094215176365
Energy: 1.2953276026448144
Energy: 1.45349481437926
Energy: 1.2951437754537527
Energy: 1.48809421517589
Energy: 1.295327721894128
Energy: 1.453494814415357
Energy: 1.2530737050750926
Energy: 1.1655028751938588
Energy: 1.3857155347488606
Energy: 1.1903935342183203
Energy: 1.2530737050746177
Energy: 1.1655028638563554
Energy: 1.3857269219319048
Energy: 1.3249554616350023
Energy: 1.2932817702652626
Energy: 1.2231545468401541
Energy: 1.293454273348683
Energy: 1.3249588720083691
Energy: 1.2933251416705447
Energy: 1.2231426337986242
Energy: 1.2454397007525166
Energy: 1.202598919183704
Energy: 1.4195709559507221
Energy: 1.2671913505250827
Energy: 1.2454397007539415
Energy: 1.2025991412758235
Energy: 1.4189234267607134
Energy: 1.2991390756968078
Energy: 1.2716998623951314
Energy: 1.2390982644291268
Energy: 1.3021623445694794
Energy: 1.2992031250587006
Energy: 1.2716998361181895
Energy: 1.1930832624256247
Energy: 1.2430587001602336
Energy: 1.1366463456050284
Energy: 1.058526447548411
Energy: 1.245716502466857
Energy: 1.2430587001607085
Energy: 1.1359431309335715
Energy: 1.05852642230926
Energy: 1.2332375424739388
Energy: 1.2973832765381388
Energy: 1.1583497000531757
Energy: 1.16657126621159
Energy: 1.2332375569277074
Energy: 1.2973832753260803
Energy: 1.1201638188780374
Energy: 1.251646503915968
Energy: 1.2993642182460297
Energy: 1.0583842157324206
Energy: 1.253621529311476
Energy: 1.2516465039183429
Energy: 1.2475302740665084
Energy: 1.058384215870591
Energy: 1.2359715854396522
Energy: 1.248922786202022
Energy: 1.223631977015545
Energy: 1.2386198103605266
Energy: 1.2359715856817963
Energy: 1.2493121520952
Energy: 1.2238878268982636
Energy: 1.2381544487844538
Energy: 1.2572642785502577
Energy: 0.9921404410324962
Energy: 1.3072614329231311
Energy: 1.2381544487645486
Energy: 1.2572347458609316
Energy: 0.9921404415808607

minimum gb energy = 0.9921404336069483 eV
minimum distance =  2.22877165792654 Angstroms
sigma value = 21


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

Energy: 1.277633000606177
Energy: 1.2675211410494005
Energy: 1.1151552804599536
Energy: 1.256269164222376
Energy: 1.2776330000886427
Energy: 1.2682862149660847
Energy: 1.1154443645192527
Energy: 1.3522105196216052
Energy: 1.2036055927748277
Energy: 1.26003823138063
Energy: 1.1554214058919043
Energy: 1.352210519743788
Energy: 1.2036055928906682
Energy: 1.2637520242432971
Energy: 1.2576673721920753
Energy: 1.1870229393365697
Energy: 0.991302863416944
Energy: 1.2427877629508721
Energy: 1.2576673720629736
Energy: 1.187022975733819
Energy: 1.0224966105495794
Energy: 1.1930921386377333
Energy: 1.1953138590247359
Energy: 1.1958681433191038
Energy: 1.1563867313108958
Energy: 1.193575223910731
Energy: 1.1953135534898633
Energy: 1.1914172283687285
Energy: 1.24436591561178
Energy: 1.1674478200137686
Energy: 1.0778152078574053
Energy: 1.1967242574716968
Energy: 1.2443659155339675
Energy: 1.1651726848752961
Energy: 1.0835965104274494
Energy: 1.1916595297267945
Energy: 1.1416687504093925
Energy: 1.3809599235701049
Energy: 1.1156861618005294
Energy: 1.1916486457844426
Energy: 1.1419079395940992
Energy: 1.3809834563152994
Energy: 1.284956694127761
Energy: 1.1662173835835004
Energy: 1.084838676671125
Energy: 1.2113192964870516
Energy: 1.2849566718228151
Energy: 1.1662155114435182
Energy: 1.0814611400906438
Energy: 1.2593376371648493
Energy: 1.2842077037518755
Energy: 1.4614707122995811
Energy: 1.1089880944461525
Energy: 1.2593376371642724
Energy: 1.287741467521099
Energy: 1.4614707114166514
Energy: 1.2942121596199814
Energy: 1.146554876315206
Energy: 1.3632934887601453
Energy: 1.2485738051107673
Energy: 1.2942121586788433
Energy: 1.1471244818280024
Energy: 1.3632871593507605
Energy: 1.2257496688583582
Energy: 1.1815231989940331
Energy: 1.2249876962989434
Energy: 1.1028286238316036
Energy: 1.2257496688658538
Energy: 1.1797631180745711
Energy: 1.2249876966960245
Energy: 1.2453192264043023
Energy: 1.1077792374156383
Energy: 1.3019731976057505
Energy: 1.1833071870856537
Energy: 1.2453123639746084
Energy: 1.108873368474817
Energy: 1.3419578493470152
Energy: 1.0581168230654336
Energy: 1.1734846855046888
Energy: 1.3006957603655458
Energy: 1.0755711285115352
Energy: 1.0581168230792455
Energy: 1.2507991524513389
Energy: 1.300698416221609
Energy: 1.2274958967032992
Energy: 1.135661982669652
Energy: 1.2894237204265375
Energy: 1.1625538852753166
Energy: 1.22749589227712
Energy: 1.1356619815567712
Energy: 1.2896984498629926
Energy: 1.1252507135808663
Energy: 1.2554545940044528
Energy: 1.3304765992228023
Energy: 1.1532245310240892
Energy: 1.1252506922078596
Energy: 1.2554539042622503
Energy: 1.3304763924222747
Energy: 1.2495738343605942
Energy: 1.1310628797929747
Energy: 1.2996900295206835
Energy: 1.1600240214060613
Energy: 1.2495524723922438
Energy: 1.1361551331340793
Energy: 1.2996900277750045
Energy: 1.1251191206046165
Energy: 1.2546592994461583
Energy: 1.273871286960935
Energy: 1.2591434242028732
Energy: 1.1251191211469436
Energy: 1.2546592591131904
Energy: 1.238290466221688
Energy: 1.2706552284981145
Energy: 1.169067253874109
Energy: 1.3067323723470026
Energy: 1.1575958697921638
Energy: 1.2706552245802443
Energy: 1.1690938309538281
Energy: 1.3067324151328261
Energy: 1.1366483638040414
Energy: 1.1928017536753617
Energy: 1.182458802511864
Energy: 1.2320582342696904
Energy: 1.1366483638075011
Energy: 1.1928106289439437
Energy: 1.1823759455483476
Energy: 1.2580941094336555
Energy: 1.1606312115874413
Energy: 1.3655961671136265
Energy: 1.145742808888289
Energy: 1.2580941080308854
Energy: 1.1606312124507672
Energy: 1.365596143933247
Energy: 1.0620470214286641
Energy: 1.205038001422545
Energy: 1.2182228311092624
Energy: 1.2032318241586026
Energy: 1.0620470220655245
Energy: 1.2054064506874909
Energy: 1.2182227874024811
Energy: 1.2552743606007626
Energy: 1.1107457449426732
Energy: 1.38978963366599
Energy: 1.1639753558578012
Energy: 1.2552743492638623
Energy: 1.1107457469292579
Energy: 1.3897898391213794
Energy: 1.061170675956693
Energy: 1.231691451162001
Energy: 1.183461769376796
Energy: 1.1949151976829293
Energy: 1.0611706758039514
Energy: 1.2316915155156372
Energy: 1.1834606708994393
Energy: 1.2527030504650314
Energy: 1.1561636419596573
Energy: 1.3030318897456008
Energy: 1.164949962035791
Energy: 1.2539512806660815
Energy: 1.1561637245338412
Energy: 1.3028515568808114
Energy: 1.1259955662828658
Energy: 1.260023080950636
Energy: 1.2338111972190664
Energy: 1.22486741126658
Energy: 1.1259955662955505
Energy: 1.2600226092358133
Energy: 1.2351938100267779
Energy: 1.2486221445697026
Energy: 1.1615391410490112
Energy: 1.3220825182005589
Energy: 1.1386024115213222
Energy: 1.2485750316437019
Energy: 1.1615395125495103
Energy: 1.322085837012951

minimum gb energy = 0.991302863416944 eV
minimum distance =  2.21505970031179 Angstroms
sigma value = 113


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

Energy: 1.1638603229999462
Energy: 1.224789643573458
Energy: 0.9435793750551771
Energy: 1.2098576047680056
Energy: 1.1638602233601425
Energy: 1.2247896424380658
Energy: 0.9435653379835973
Energy: 1.1662543462137118
Energy: 1.1523451046750133
Energy: 1.0062028794485787
Energy: 1.1264706434397334
Energy: 1.1662543611864233
Energy: 1.1524675897314276
Energy: 1.0022317466293167
Energy: 1.1660055337388386
Energy: 1.1364117608306512
Energy: 1.0206874655824385
Energy: 1.1168121674770617
Energy: 1.166005899982327
Energy: 1.1364116556842605
Energy: 1.0150950186173955
Energy: 1.0255304656638728
Energy: 1.1785161821765253
Energy: 1.123021334830303
Energy: 1.106526405752417
Energy: 1.0255304674168089
Energy: 1.1770795293391945
Energy: 1.1043668232507229
Energy: 1.1925671332255143
Energy: 1.119744273763182
Energy: 0.9129809003662726
Energy: 1.0591062786294265
Energy: 1.1925671766542874
Energy: 1.1197442519490992
Energy: 0.9115214513668718
Energy: 1.016091956036157
Energy: 1.0936819241148394
Energy: 1.2505275630833836
Energy: 1.078787549890735
Energy: 1.0160919640419404
Energy: 1.0968309732790635
Energy: 1.2496947567144927
Energy: 1.1209611747217738
Energy: 1.0526886757456155
Energy: 0.9792663831706475
Energy: 1.025769821535401
Energy: 1.1209652943938642
Energy: 1.055669274965491
Energy: 1.0167762806473504
Energy: 1.046986973297473
Energy: 1.0996740783050818
Energy: 1.2220574319359385
Energy: 1.0292727704451887
Energy: 1.0469869975914448
Energy: 1.0996744850503422
Energy: 1.2185384890736441
Energy: 1.1310705940633805
Energy: 1.0153931076497549
Energy: 1.0560983221997386
Energy: 1.0330638732726072
Energy: 1.1310705933332097
Energy: 1.01539536770954
Energy: 1.083288731759064
Energy: 1.0491602624574006
Energy: 1.1013007455173687
Energy: 0.9551923718979107
Energy: 1.1042123848572598
Energy: 1.0491602624477465
Energy: 1.1013007477367247
Energy: 0.9551838007683883
Energy: 1.1432669742442854
Energy: 1.1675094824218768
Energy: 0.9868895519127757
Energy: 1.0467973002035298
Energy: 1.1432669746656547
Energy: 1.1675094196556919
Energy: 0.9409246948491772
Energy: 1.0474619400050287
Energy: 1.0822553090645144
Energy: 1.2927794261506866
Energy: 1.0611014828259768
Energy: 1.0474619402591256
Energy: 1.0823695996369602
Energy: 1.292475648025873
Energy: 1.1487567318011125
Energy: 1.0872181021441196
Energy: 1.0087870135290038
Energy: 1.0966963766205573
Energy: 1.1487567354389188
Energy: 1.085319175851774
Energy: 1.0639130829437082
Energy: 1.152439685189539
Energy: 1.1817690537444452
Energy: 1.2089015667991774
Energy: 1.0900345904395707
Energy: 1.1524396845333804
Energy: 1.1817721767640474
Energy: 1.2088987847544777
Energy: 1.1481365319387908
Energy: 1.1553990057230856
Energy: 1.161040907093836
Energy: 1.1591982087823105
Energy: 1.148136531494955
Energy: 1.1554196067177098
Energy: 1.161017727293658
Energy: 1.1550853847700373
Energy: 1.1005873874446577
Energy: 1.2253425634040593
Energy: 1.0209975419427186
Energy: 1.1550853813798923
Energy: 1.1005838165411137
Energy: 1.2253429283513193
Energy: 1.1657062967575957
Energy: 1.1050195771615066
Energy: 1.266001038775398
Energy: 1.094405707409978
Energy: 1.1657063453681236
Energy: 1.103685822667922
Energy: 1.2660009410461488
Energy: 1.0514346253890623
Energy: 1.1122828971432872
Energy: 1.0046259276915892
Energy: 1.0358511582069407
Energy: 1.0514346253858444
Energy: 1.1122828572718728
Energy: 1.0045049310570855
Energy: 1.182805027059259
Energy: 1.1066301974002473
Energy: 1.0853138787692909
Energy: 1.088518227862143
Energy: 1.1827346351041317
Energy: 1.109994269750329
Energy: 1.085397598441916
Energy: 1.045241046901456
Energy: 1.069005711537942
Energy: 1.1145355683287297
Energy: 0.9851524302251884
Energy: 1.0452410463610824
Energy: 1.0690056554523508
Energy: 1.1145236418667361
Energy: 1.110865498048218
Energy: 1.0118728815409934
Energy: 1.2277243148709327
Energy: 1.1301168335431642
Energy: 1.110865585073095
Energy: 1.011911904313222
Energy: 1.2277243074280477
Energy: 1.030232166801445
Energy: 0.9896371107439464
Energy: 1.0563059200061957
Energy: 1.023602089974077
Energy: 1.0302321667821375
Energy: 0.9895639808837562
Energy: 1.0563058836504244
Energy: 1.1190360877230352
Energy: 1.055811117554535
Energy: 1.2195741016386845
Energy: 1.2032705063622364
Energy: 1.1190360949440017
Energy: 1.0558113002983516
Energy: 1.219570222999327
Energy: 1.036470712812406
Energy: 1.0433161700861484
Energy: 0.8998984489883093
Energy: 1.0611629696203795
Energy: 1.0364707122559433
Energy: 1.0429315535712689
Energy: 0.8968384013216096
Energy: 1.1168330336658132
Energy: 1.1317165982471393
Energy: 1.1596961889392616
Energy: 1.2088385623772655
Energy: 1.116833033926346
Energy: 1.131451513138771
Energy: 1.159695014255132
Energy: 1.039810217702197
Energy: 1.064124550407253
Energy: 1.1222165805538853
Energy: 0.9672681214620208
Energy: 1.043233688672584
Energy: 1.093276152471088
Energy: 1.1222391440685422
Energy: 1.2560106405556712
Energy: 1.1336351296150096
Energy: 1.0508876290801086
Energy: 1.2091223979608592
Energy: 1.2560108948209339
Energy: 1.1336355709340853
Energy: 1.0508876627179833
Energy: 1.1036615667099667
Energy: 1.2082029967963708
Energy: 0.9505278086124175
Energy: 1.1876205523514618
Energy: 1.1036575087716423
Energy: 1.2082029964329237
Energy: 0.951431250641956
Energy: 1.2576256736606855
Energy: 1.162072963753787
Energy: 1.1174240081148101
Energy: 1.215293329733318
Energy: 1.2576256704699333
Energy: 1.1620725269956453
Energy: 1.1174239998999218
Energy: 1.1105346584244657
Energy: 1.128087286147843
Energy: 0.900151754925906
Energy: 1.1870676490450673
Energy: 1.1105346587139597
Energy: 1.1280872971321139
Energy: 0.9785610326786904
Energy: 1.1338177922084338
Energy: 1.1348345128732578
Energy: 1.1575027716201283
Energy: 1.2583927526018275
Energy: 1.1338177779626755
Energy: 1.1338593260055494
Energy: 1.1575013228862703
Energy: 1.071709183511103
Energy: 1.0496701803320894
Energy: 0.9179953506633562
Energy: 1.0786375398842365
Energy: 1.0717089732729086
Energy: 1.0496701746035846
Energy: 0.915804724763659
Energy: 1.1316932196754885
Energy: 1.0576407530892367
Energy: 1.1543885929797233
Energy: 1.1264386893288092
Energy: 1.1316930216598715
Energy: 1.057637197225921
Energy: 1.1549148546696018
Energy: 1.0771906251820287
Energy: 1.0494253883313494
Energy: 1.1078625889800682
Energy: 1.0597651141154327
Energy: 1.0779538077308368
Energy: 1.049425378665832
Energy: 1.1078649862094352
Energy: 1.1022238278575545
Energy: 1.068804027343289
Energy: 1.1439758656211714
Energy: 1.124480194361924
Energy: 1.1022238272431697
Energy: 1.068803143852687
Energy: 1.1436743312807671
Energy: 1.0785085398685135
Energy: 0.9989226251835888
Energy: 1.1117712763351224
Energy: 1.093539903133866
Energy: 1.078508533068916
Energy: 0.9989319239849401
Energy: 1.1179115032192768
Energy: 1.089589450378404
Energy: 1.065100850078004
Energy: 1.0379044214633255
Energy: 1.0890345254615696
Energy: 1.089589446988259
Energy: 1.065311523913309
Energy: 0.9967997738395562
Energy: 1.0790737363653562
Energy: 1.0663586503141078
Energy: 1.0662886628341006
Energy: 1.0824700854538543
Energy: 1.079073803312997
Energy: 1.066358688467866
Energy: 1.0662873911701414
Energy: 1.1042717456866105
Energy: 1.116248418767195
Energy: 1.1242028738194323
Energy: 1.110088386186629
Energy: 1.1042717472498076
Energy: 1.116249976735698
Energy: 1.125449459422365
Energy: 1.0992359232139701
Energy: 1.1160727946440392
Energy: 0.9867036020417713
Energy: 1.103244872624296
Energy: 1.0992358812486978
Energy: 1.1160699156066383
Energy: 0.9867152647145138
Energy: 1.1946440741595996
Energy: 1.1007154991502428
Energy: 1.2037834239326315
Energy: 1.1090265495216958
Energy: 1.1946440742721676
Energy: 1.1005583538629076
Energy: 1.203778366713965
Energy: 1.0651805313305622
Energy: 1.176368567231216
Energy: 1.2106182405403019
Energy: 1.138544656814604
Energy: 1.0659310377577569
Energy: 1.1373082010231341
Energy: 1.2106188079643578
Energy: 1.1385285473610907
Energy: 1.0814692477347074
Energy: 1.0619348701145608
Energy: 1.1210943281246328
Energy: 1.1385284693520663
Energy: 1.0815435771295203
Energy: 1.0619348808639835
Energy: 1.0958580625991945
Energy: 1.0977594764727998
Energy: 1.186379428261469
Energy: 1.0926741436888876
Energy: 1.0958580721713926
Energy: 1.0977978619785091
Energy: 1.1847364887619338
Energy: 1.0182515791863007
Energy: 1.0862012798298255
Energy: 1.096375612714205
Energy: 1.1566948539463717
Energy: 1.0182514014247872
Energy: 1.0861433881454705
Energy: 1.0962929333833742

minimum gb energy = 0.8968384013216096 eV
minimum distance =  2.21191416929967 Angstroms
sigma value = 365


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

Energy: 0.9187726352706757
Energy: 0.7320439450407489
Energy: 1.2549855572325788
Energy: 0.7320439450378469
Energy: 0.9187726352692246
Energy: 0.7320439450349449
Energy: 1.1282763892254037
Energy: 0.9187726352714012
Energy: 0.7320439450371213
Energy: 1.319002602963665
Energy: 0.7320439450400233
Energy: 0.9187726352699501
Energy: 0.7320439450385723
Energy: 1.0166045042090306
Energy: 0.9187726352706757
Energy: 0.7320439450371213
Energy: 0.8346763826979723
Energy: 0.7320439450392978
Energy: 0.9187726352721267
Energy: 0.7320439450392978
Energy: 1.138771193866918
Energy: 0.9187726352699501
Energy: 0.7320439450443765
Energy: 1.4129869522729126
Energy: 0.7320439450400233
Energy: 0.9187726352699501
Energy: 0.7320439450385723
Energy: 1.3206738618288103
Energy: 0.9187726352714012
Energy: 0.7320439450400233
Energy: 1.2621484539554961
Energy: 0.7320439450363958
Energy: 0.9187726352699501
Energy: 0.7320439450349449
Energy: 1.080101933216646
Energy: 0.9187726352699501
Energy: 0.7320439450400233
Energy: 1.0972166611562773
Energy: 0.7320439450392978
Energy: 0.9187726352706757
Energy: 0.7320439450378469
Energy: 1.0812779612867376
Energy: 0.9187726352706757
Energy: 0.7320439450392978
Energy: 1.1428638723643245
Energy: 0.7320439450407489
Energy: 0.9187726352706757
Energy: 0.7320439450407489
Energy: 1.2599132350012483
Energy: 0.9187726352706757
Energy: 0.7320439450421999
Energy: 1.0745151741405439
Energy: 0.7320439450414744
Energy: 0.9187726352692246
Energy: 0.7320439450385723
Energy: 1.0718654839010706
Energy: 0.9187726352706757
Energy: 0.7320439450407489
Energy: 1.2105044425654663
Energy: 0.7320439450371213
Energy: 0.9187726352714012
Energy: 0.7320439450400233
Energy: 1.0693819720309745
Energy: 0.9187726352699501
Energy: 0.7320439450371213
Energy: 1.0497791799993528
Energy: 0.7320439450414744
Energy: 0.9187726352699501
Energy: 0.7320439450392978
Energy: 1.1280413210797955
Energy: 0.9187726352714012
Energy: 0.7320439450407489
Energy: 1.0697587802459654
Energy: 0.7320439450407489
Energy: 0.9187726352706757
Energy: 0.7320439450407489
Energy: 1.0748086290357766
Energy: 0.9187726352699501
Energy: 0.7320439450407489
Energy: 1.028356302759036
Energy: 0.7320439450407489
Energy: 0.9187726352714012
Energy: 0.7320439450385723
Energy: 1.0150668953863513
Energy: 0.9187726352706757
Energy: 0.7320439450392978
Energy: 1.0172753093955926
Energy: 0.7320439450363958
Energy: 0.9187726352706757
Energy: 0.7320439450421999
Energy: 1.028300582433631
Energy: 0.9187726352714012
Energy: 0.7320439450392978
Energy: 1.0243894753108238
Energy: 0.7320439450385723
Energy: 0.9187726352706757
Energy: 0.7320439450385723
Energy: 1.023014682114018
Energy: 0.9187726352706757
Energy: 0.7320439450385723
Energy: 1.0100262887211702
Energy: 0.7320439450385723
Energy: 0.9187726352721267
Energy: 0.7320439450400233
Energy: 1.018735940631872
Energy: 0.9187726352706757
Energy: 0.7320439450385723
Energy: 1.0187388074698962
Energy: 0.7320439450407489
Energy: 0.9187726352699501
Energy: 0.7320439450400233
Energy: 1.020993330903012
Energy: 0.9187726352721267
Energy: 0.7320439450400233
Energy: 1.0064072658654561
Energy: 0.7320439450400233
Energy: 0.9187726352699501
Energy: 0.7320439450414744
Energy: 1.0231611519768993
Energy: 0.9187726352706757
Energy: 0.7320439450400233
Energy: 1.0179501657881365
Energy: 0.7320439450414744
Energy: 0.9187726352714012
Energy: 0.7320439450400233
Energy: 1.0101295331417406
Energy: 0.9187726352714012
Energy: 0.7320439450407489
Energy: 1.0059193012915453
Energy: 0.7320439450385723
Energy: 0.9187726352706757
Energy: 0.7320439450385723
Energy: 1.0283585110908269
Energy: 0.9187726352714012
Energy: 0.7320439450378469
Energy: 1.0211437085459387
Energy: 0.7320439450371213
Energy: 0.9187726352699501
Energy: 0.7320439450407489
Energy: 1.0198230791198553

minimum gb energy = 0.7320439450349449 eV
minimum distance =  2.23628012265811 Angstroms
sigma value = 23